Been here a few times, keep refining it. :-)
We need to do a bunch of imports and define some functions we'll use later.
Note: This is a Python3 notebook, so the code below may not work in Python2.
import numpy
from rdkit.Chem.Draw import IPythonConsole
import pandas as pd
from rdkit.Chem import PandasTools
from rdkit.Chem import AllChem as Chem
from rdkit.Chem import rdFMCS as MCS
from rdkit.Chem import Draw
import pickle
from rdkit import rdBase
print(rdBase.rdkitVersion)
import time
print(time.asctime())
2020.09.1 Sun Dec 20 08:43:44 2020
# define a function to convert a query molecule to SVG
from IPython.display import SVG
from rdkit.Chem import rdDepictor
from rdkit.Chem.Draw import rdMolDraw2D
def moltosvg(mol,molSize=(450,250),kekulize=True):
mc = Chem.Mol(mol.ToBinary())
if kekulize:
try:
Chem.Kekulize(mc)
except:
mc = Chem.Mol(mol.ToBinary())
if not mc.GetNumConformers():
rdDepictor.Compute2DCoords(mc)
drawer = rdMolDraw2D.MolDraw2DSVG(molSize[0],molSize[1])
# the MolDraw2D code is not very good at the moment at dealing with atom queries,
# this is a workaround until that's fixed.
# The rendering is still not going to be perfect because query bonds are not properly indicated
opts = drawer.drawOptions()
for atom in mc.GetAtoms():
if atom.HasQuery() and atom.DescribeQuery().find('AtomAtomicNum')!=0:
opts.atomLabels[atom.GetIdx()]=atom.GetSmarts()
drawer.DrawMolecule(mc)
drawer.FinishDrawing()
svg = drawer.GetDrawingText()
return svg
# define a function to find the MCS for a set of molecules and return some summary info about that MCS
import time
# we will use a namedtuple to return the results
from collections import namedtuple
MCSRes=namedtuple('MCSRes',('smarts','numAtoms','numMols','avgNumMolAtoms','mcsTime'))
def MCS_Report(ms,printSmarts=True,
atomCompare=MCS.AtomCompare.CompareAny,
bondCompare=MCS.BondCompare.CompareAny,
completeRingsOnly=True,
**kwargs):
t1=time.time()
mcs = MCS.FindMCS(ms,atomCompare=atomCompare,bondCompare=bondCompare,timeout=30,completeRingsOnly=completeRingsOnly,
**kwargs)
t2=time.time()
nAts = numpy.array([x.GetNumAtoms() for x in ms])
print('Mean nAts %.1f, mcs nAts: %d'%(nAts.mean(),mcs.numAtoms))
if printSmarts:
print(mcs.smartsString)
mcsM = Chem.MolFromSmarts(mcs.smartsString)
mcsM.UpdatePropertyCache(False)
Chem.SetHybridization(mcsM)
svg = moltosvg(mcsM,kekulize=False)
tpl = MCSRes(mcs.smartsString,mcs.numAtoms,len(ms),nAts,t2-t1)
return tpl,svg
Get target information from our local ChEMBL copy:
%load_ext sql
%config SqlMagic.feedback = False
d = %sql postgresql://localhost/chembl_26 \
select * from (\
select assay_id,chembl_id assay_chembl_id,count(distinct(molregno)) cnt,description \
from activities join assays using(assay_id) \
where standard_type = 'Ki' and confidence_score=9 and assay_type='B' and relationship_type='D' \
group by (assay_id,chembl_id,description) order by cnt desc) tmp \
where cnt<100 and cnt>50;
print(f'{len(d)} assays found')
367 assays found
d
assay_id | assay_chembl_id | cnt | description |
---|---|---|---|
1528353 | CHEMBL3706284 | 98 | Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Genebank accession numberNM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022) , 10%FBS, IX Pen/Strep, IX NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4°C), the supernatant was aspirated and the pellets frozen and stored at -80°C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity = 29.6 Ci/mmol). |
1527605 | CHEMBL3705289 | 97 | Binding assay: Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline was used at a concentration equal to the calculated Kd value of 60 nM to give a bound at around 0.1% of the total added radioligand concentration, and a specific binding which represented approximately 70-80% of the total binding. Non-specific binding was defined as the amount of [3H]-rac-2-(1,2,3,4-tetrahydro-1-naphthyl)-2-imidazoline bound in the presence of the appropriate unlabelled ligand (10 μM). Competing ligands were tested in a wide range of concentrations (10 μM-30 μM). The final dimethylsulphoxide concentration in the assay was 2%, and it did not affect radioligand binding. |
1537148 | CHEMBL3734283 | 97 | Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay |
1535508 | CHEMBL3707832 | 95 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
1547124 | CHEMBL3755859 | 95 | Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD |
1528370 | CHEMBL3705383 | 95 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
1535361 | CHEMBL3707859 | 95 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein/well (D2, D3) and 15 ug protein/well (5-HT2A), respectively.The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 uM-0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
444873 | CHEMBL894022 | 94 | Inhibition of human recombinant MetAP2 |
1613477 | CHEMBL3855277 | 94 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting |
1528694 | CHEMBL3705468 | 94 | Radioligand Binding Assay: Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay volume of 100 uL. CHO cell membranes stably expressing either the hM1, hM2, hM3, hM4 or hM5 muscarinic subtype were diluted in assay buffer to the following specific target protein concentrations (ug/well): 10 ug for hM1, 10-15 ug for hM2, 10-20 ug for hM3, 10-20 ug for hM4, and 10-12 ug for hM5 to get similar signals (cpm). The membranes were briefly homogenized using a Polytron tissue disruptor (10 seconds) prior to assay plate addition.Saturation binding studies for determining KD values of the radioligand were performed using L-[N-methyl-3H]scopolamine methyl chloride ([3H]-NMS) (TRK666, 84.0 Ci/mmol, Amersham Pharmacia Biotech, Buckinghamshire, England) at concentrations ranging from 0.001 nM to 20 nM.Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM. |
1613478 | CHEMBL3855278 | 93 | Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scintillation counting |
464889 | CHEMBL949088 | 92 | Inhibition of rat recombinant FAAH expressed in Escherichia coli |
1527832 | CHEMBL3705059 | 92 | Radioligand Binding Assay: Radioligand binding assay using muscarinic receptors. |
437192 | CHEMBL906590 | 92 | Displacement of [125I]MCH from MCHR1 expressed in CHO cells |
302650 | CHEMBL839940 | 92 | Binding affinity for human glycogen synthase kinase 3 beta |
302524 | CHEMBL827377 | 91 | Binding affinity for human cyclin-dependent kinase 2 |
303563 | CHEMBL828963 | 91 | Inhibition of [125I]eotaxin-1 binding to human chemokine receptor (hCCR3-C1) |
213236 | CHEMBL821446 | 88 | Binding affinity towards trypsin |
1528352 | CHEMBL3706283 | 88 | Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, IX Pen/Strep, IX sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #1 1039), 10%FBS, IX Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C), the supernatant was aspirated and the pellets frozen and stored at -80C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL. |
1537103 | CHEMBL3734209 | 88 | Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method |
1535076 | CHEMBL3707804 | 88 | Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
1535965 | CHEMBL3707598 | 88 | Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
1528654 | CHEMBL3706129 | 87 | Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 ug protein / well (D2, D3) and 15 ug protein / well (5-HT2A), respectively.The binding affinity (IQ) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 ul with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H] -spiperone for D2, 0.5 nM [3H] -spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10uM - 0.1 nM for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters. |
303638 | CHEMBL828848 | 86 | Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli |
1620948 | CHEMBL3863231 | 86 | Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis |
1332011 | CHEMBL3223904 | 85 | Antagonist activity at human adenosine A1 receptor expressed in CHO-K1 cells preincubated for 15 mins before r-PIA addition measured after 5.5 to 6 hrs by beta-galactosidase reporter gene assay |
1637967 | CHEMBL3881028 | 85 | Inhibition of full length human C-terminal 6His-tagged CHK1 expressed in baculovirus/insect expression system assessed as reduction in NADH oxidation using Syntide2 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay |
304044 | CHEMBL840221 | 85 | Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593 |
304036 | CHEMBL840214 | 84 | Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO |
303375 | CHEMBL839693 | 84 | Binding affinity for human tachykinin receptor 2 was measured by using [125I]NKA as radio ligand |
609034 | CHEMBL1064501 | 84 | Inhibition of human P2Y12 receptor expressed in CHO cells |
444902 | CHEMBL894050 | 82 | Inhibition of ENT1 in human K562 cells by flow cytometric assay |
1366808 | CHEMBL3297243 | 82 | Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis |
1366806 | CHEMBL3297241 | 82 | Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis |
1366807 | CHEMBL3297242 | 82 | Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analysis |
1366809 | CHEMBL3297244 | 82 | Displacement of [3H]N-methylspiperone from human recombinant D2 receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis |
1659425 | CHEMBL4009037 | 81 | Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins |
418719 | CHEMBL912951 | 80 | Displacement of [125I]CCK-8S from human CCK2R |
981861 | CHEMBL2427556 | 80 | Binding affinity to human adenosine A3 receptor |
1535759 | CHEMBL3707774 | 79 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=25-35 Ci/mmol) was obtained from Tocris. The binding of [3H]MLA was determined using a 2 h incubation at 21 C. Incubations were conducted in 48-well micro-titre plates and contained about 200 μg of protein per well in a final incubation volume of 300 uL. The incubation buffer was PBS and the final concentration of [3H]MLA was 5 nM. The binding reaction was terminated by filtration of the protein containing bound ligand onto glass fiber filters (GF/B, Brandel) using a Brandel Tissue Harvester at room temperature. Filters were soaked in de-ionized water containing 0.33% polyethyleneimine to reduce non-specific binding. Each filter was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells. |
429601 | CHEMBL919033 | 79 | Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane |
1528657 | CHEMBL3706132 | 79 | Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]MLA (Specific Activity=25-35 Ci/mmol) was obtained from Tocris. The binding of [3H]MLA was determined using a 2 h incubation at 21 C. Incubations were conducted in 48-well micro-titre plates and contained about 200 μg of protein per well in a final incubation volume of 300 uL. The incubation buffer was PBS and the final concentration of [3H]MLA was 5 nM. The binding reaction was terminated by filtration of the protein containing bound ligand onto glass fiber filters (GF/B, Brandel) using a Brandel Tissue Harvester at room temperature. Filters were soaked in de-ionized water containing 0.33% polyethyleneimine to reduce non-specific binding. Each filter was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells. |
583010 | CHEMBL1051848 | 79 | Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting |
1527942 | CHEMBL3705629 | 79 | Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. |
429600 | CHEMBL919032 | 79 | Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane |
1535083 | CHEMBL3707825 | 79 | Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. |
1535448 | CHEMBL3707696 | 79 | Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells. |
1527798 | CHEMBL3705339 | 78 | Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM). |
1637416 | CHEMBL3880477 | 78 | Displacement of [3H]-2-[4-(3-azidophenyl)-2-oxo-1-pyrrolidinyl]butanamide from SV2A levetiracetam binding site in Sprague-Dawley rat cerebral cortex membranes after 120 mins by liquid scintillation counting method |
880272 | CHEMBL2215850 | 78 | Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells |
1534795 | CHEMBL3707798 | 77 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. |
1638066 | CHEMBL3881127 | 77 | Inhibition of recombinant MCH5 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay |
1638064 | CHEMBL3881125 | 77 | Inhibition of recombinant MCH2 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay |
1638062 | CHEMBL3881123 | 77 | Inhibition of recombinant CPP32 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay |
1638060 | CHEMBL3881121 | 77 | Inhibition of mouse recombinant ICE pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay |
418718 | CHEMBL913512 | 77 | Displacement of [125I]CCK-8S from human CCK1R |
471789 | CHEMBL939997 | 77 | Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells |
1535789 | CHEMBL3707837 | 77 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. |
855538 | CHEMBL2162843 | 77 | Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr |
1528852 | CHEMBL3706025 | 77 | In Vitro Assay: The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. |
1528054 | CHEMBL3705361 | 77 | Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl, 1.5 mM CaCl2, pH=7.4; 5-HT2A: 50 mM Tris-HCl, 10 mM MgCl2, 1 mM EGTA, pH=7.4), homogenized with a Polytron for 20-30 sec at 12.000 rpm and adjusted to a final concentration of approximately 7.5 μg protein/well (D2, D3) and 15 μg protein/well (5-HT2A), respectively. The binding affinity (Ki) of the compounds was determined using radioligand binding. Membranes were incubated in a total volume of 200 μl with a fixed concentration of radioligand (final concentration approximately 0.7 nM [3H]-spiperone for D2, 0.5 nM [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT. |
743931 | CHEMBL1767925 | 76 | Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion |
1699615 | CHEMBL4050597 | 75 | Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method |
55071 | CHEMBL668388 | 75 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR) |
53631 | CHEMBL666660 | 75 | Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) |
634304 | CHEMBL1120717 | 75 | Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor |
634305 | CHEMBL1120718 | 75 | Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor |
634306 | CHEMBL1120719 | 75 | Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells |
1636657 | CHEMBL3879555 | 75 | Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mins by spectrophotometric method |
303258 | CHEMBL826384 | 75 | Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells |
513112 | CHEMBL973601 | 75 | Binding affinity to human MC4 receptor |
1699614 | CHEMBL4050596 | 75 | Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method |
1527621 | CHEMBL3705078 | 75 | Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand. |
1528160 | CHEMBL3705369 | 74 | Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg-AMC, 50 μL) mixed with 200 mM Tris-HCl buffer (pH 8.0), and human trypsin (Sigma, 25 μL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm. |
447824 | CHEMBL898074 | 74 | Inhibition of human factor 10a |
1527780 | CHEMBL3705314 | 74 | Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors. |
1528161 | CHEMBL3705370 | 74 | Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence enzyme substrate (Gly-Asp-Asp-Asp-Asp-Lys-β-Naphtylamide, 25 μL) were mixed, and recombinant human enteropeptidase (R&D Systems, Inc., 25 μL) was added. Using a fluorescence plate reader fmax (Molecular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm. |
585133 | CHEMBL1060022 | 74 | Binding affinity to human recombinant P2Y12 receptor expressed in CHO cells |
1527622 | CHEMBL3705079 | 74 | Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand. |
371466 | CHEMBL864183 | 74 | Displacement of [3H]progesterone from Progesterone receptor |
1528930 | CHEMBL3705777 | 73 | Radioligand Binding Assay: Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 ug membrane protein in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Non-specific binding was determined in the presence of 10 nM unlabeled nociceptin (American Peptide Company). All reactions were performed in 96-deep well polypropylene plates for 1 h at about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by three filtration washes with 500 uL ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hrs. Fifty L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count. |
458669 | CHEMBL942952 | 73 | Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells |
1536128 | CHEMBL3707656 | 73 | Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM_001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, IX Pen/Strep, IX sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #1 1039), 10%FBS, IX Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phoshpate Buffered Saline IX with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2K xG, 5 min at 4 C), the supernatant was aspirated and the pellets frozen and stored at -80C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL. |
54734 | CHEMBL667185 | 73 | Negative logarithm of inhibition constant (-log Ki) against Dihydrofolate reductase in Escherichia coli |
320876 | CHEMBL884801 | 73 | Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells |
1522886 | CHEMBL3630759 | 72 | Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay |
861906 | CHEMBL2173634 | 72 | Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter |
1644378 | CHEMBL3993307 | 72 | Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measured every min for 30 mins |
54735 | CHEMBL667186 | 72 | Inhibition constant against binding of Escherichia coli dihydrofolate reductase |
303552 | CHEMBL828952 | 71 | Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus |
570539 | CHEMBL1026911 | 71 | Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay |
570538 | CHEMBL1026910 | 71 | Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay |
54926 | CHEMBL667222 | 71 | Inhibitory activity against Lactobacillus casei dihydrofolate reductase |
53614 | CHEMBL661844 | 71 | Inhibitory activity against chicken liver dihydrofolate reductase |
304043 | CHEMBL877110 | 70 | Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate |
588710 | CHEMBL1059319 | 70 | Inhibition of human PIM1 by scintillation counting |
588709 | CHEMBL1059318 | 70 | Inhibition of human PIM2 by scintillation counting |
828300 | CHEMBL2050319 | 70 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells |
605406 | CHEMBL1073400 | 70 | Displacement of radioligand from human adenosine A1 receptor expressed in cells by topcount microplate scintillation counting |
605405 | CHEMBL1073399 | 70 | Displacement of radioligand from human adenosine A2A receptor expressed in cells by topcount microplate scintillation counting |
596087 | CHEMBL1040875 | 69 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells |
596088 | CHEMBL1040876 | 69 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells |
478840 | CHEMBL925727 | 69 | Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells |
934321 | CHEMBL2320307 | 69 | Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence polarization anisotropy assay |
212325 | CHEMBL818251 | 68 | Inhibitory constant against bovine trypsin for general specificity against serine proteases |
877370 | CHEMBL2182415 | 68 | Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells |
540740 | CHEMBL1030622 | 68 | Displacement of [125I]nociceptin from human NOP expressed in CHO cells |
1572912 | CHEMBL3801235 | 68 | Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay |
304008 | CHEMBL877109 | 68 | Binding affinity towards Acetylcholinesterase |
471788 | CHEMBL939996 | 68 | Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells |
960514 | CHEMBL2389489 | 67 | Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay |
540741 | CHEMBL1030623 | 67 | Displacement of [125I]diprenorphine from human DOP expressed in CHO cells |
461138 | CHEMBL944161 | 67 | Displacement of [3H]raclopride from rat dopamine D2 receptor |
479714 | CHEMBL921474 | 67 | Binding affinity at human adenosine A1 receptor |
159136 | CHEMBL769512 | 67 | Inhibitory activity against HIV-1 protease |
540742 | CHEMBL1030624 | 67 | Displacement of [125I]diprenorphine from human KOP expressed in CHO cells |
1653671 | CHEMBL4003037 | 67 | Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measured after 15 mins by fluorescence polarization assay |
479713 | CHEMBL921473 | 67 | Binding affinity at human adenosine A2A receptor |
540743 | CHEMBL1030625 | 67 | Displacement of [125I]diprenorphine from human MOP expressed in CHO cells |
1527882 | CHEMBL3705126 | 66 | Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection. |
1528915 | CHEMBL3705621 | 66 | Binding Assay: Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 receptors (NCBI accession NM022938). Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assays using 5-carboxamido[3H]tryptamine ([3H]5-CT) (Amersham Biosciences, cat. 90000403) detection. HitHunter cAMP assays are in-vitro based competitive immunoassays. The assay was performed on the HEK-293 cell line stably transfected with r5-HT7 receptor. Cells were pre-incubated with test compounds for 10 minutes. |
1688140 | CHEMBL4038710 | 66 | Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed by capsaicin addition by Fluo-4/Pluronic F127 probe based FLIPR method |
466158 | CHEMBL950162 | 66 | Displacement of [3H]dexamethasone from human recombinant GR |
1653672 | CHEMBL4003038 | 66 | Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDMX (1 to 134 residues) measured after 15 mins by fluorescence polarization assay |
1577550 | CHEMBL3807026 | 66 | Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis |
1561630 | CHEMBL3776607 | 65 | Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter method |
946059 | CHEMBL2342096 | 65 | Inhibition of human carbonic anhydrase-12 |
946060 | CHEMBL2342097 | 65 | Inhibition of human carbonic anhydrase-9 |
946061 | CHEMBL2342098 | 65 | Inhibition of human carbonic anhydrase-2 |
302499 | CHEMBL828215 | 65 | Binding affinity against bovine trypsin |
1459806 | CHEMBL3371192 | 65 | Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells |
946062 | CHEMBL2342099 | 65 | Inhibition of human carbonic anhydrase-1 |
429507 | CHEMBL918630 | 65 | Inhibition of human BChE |
429506 | CHEMBL918629 | 65 | Inhibition of human AChE |
429504 | CHEMBL918627 | 65 | Inhibition of human liver CE1 expressed in sf21 cells |
425700 | CHEMBL913682 | 65 | Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane |
425699 | CHEMBL912015 | 65 | Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane |
511514 | CHEMBL980957 | 65 | Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane |
302753 | CHEMBL838700 | 65 | Binding affinity against mu opioid receptor in mouse hot plate test |
1528084 | CHEMBL3705645 | 65 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2X10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000 ug for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer. |
715074 | CHEMBL1664180 | 64 | Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting |
1565814 | CHEMBL3789421 | 64 | Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA based competition assay |
1452896 | CHEMBL3366212 | 64 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells |
1452898 | CHEMBL3366214 | 64 | Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity |
1452895 | CHEMBL3366211 | 64 | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
1452897 | CHEMBL3366213 | 64 | Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells |
1528243 | CHEMBL3706217 | 64 | Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 2x 10 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000xg for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer (50 mM Tris, 2.5 mM EDTA, 5 mM MgCl2, and 0.5 mg/mL fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer. |
393314 | CHEMBL911524 | 63 | Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells |
685143 | CHEMBL1286959 | 63 | Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH |
728369 | CHEMBL1685145 | 63 | Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells |
425703 | CHEMBL913685 | 63 | Binding affinity to dopamine D2 |
393313 | CHEMBL911523 | 63 | Displacement of [3H]SCH 23390 from dopamine D1 receptor expressed in CHO cells |
864185 | CHEMBL2175134 | 63 | Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method |
458068 | CHEMBL925405 | 62 | Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells |
1342911 | CHEMBL3259186 | 62 | Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins by Michaelis-Menten plot analysis |
333106 | CHEMBL853597 | 62 | Inhibition of FKBP12 rotamase activity |
1561631 | CHEMBL3776608 | 62 | Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter method |
664672 | CHEMBL1260558 | 62 | Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells |
664673 | CHEMBL1260559 | 62 | Binding affinity to human 5HT2A receptor |
302621 | CHEMBL838818 | 62 | Binding affinity determined against human alpha thrombin |
878513 | CHEMBL2188178 | 62 | Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane |
878514 | CHEMBL2188179 | 62 | Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane |
878515 | CHEMBL2188180 | 62 | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane |
544730 | CHEMBL1010168 | 61 | Binding affinity to human coagulation factor 10a |
303291 | CHEMBL828284 | 61 | Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate |
303460 | CHEMBL839720 | 61 | Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]MGS-0008 |
303366 | CHEMBL839684 | 61 | Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate |
613511 | CHEMBL1072277 | 61 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells |
303261 | CHEMBL828256 | 61 | Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate |
303260 | CHEMBL828255 | 61 | Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate |
1436945 | CHEMBL3388443 | 61 | Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption |
303216 | CHEMBL829841 | 61 | Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate |
556996 | CHEMBL958182 | 61 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells |
745548 | CHEMBL1775865 | 61 | Inhibition of human PI3Kalpha expressed in Sf9 cells |
664675 | CHEMBL1260561 | 61 | Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay |
464863 | CHEMBL930580 | 60 | Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes |
635026 | CHEMBL1118577 | 60 | Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins |
635521 | CHEMBL1118104 | 60 | Displacement of [3H]LSD form human recombinant 5HT6 receptor |
641177 | CHEMBL1174684 | 60 | Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane |
158035 | CHEMBL768259 | 60 | Inhibitory activity against HIV-1 protease |
1556442 | CHEMBL3772473 | 60 | Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay |
325792 | CHEMBL862698 | 60 | Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate |
464862 | CHEMBL930579 | 60 | Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells |
856937 | CHEMBL2160580 | 60 | Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry |
325793 | CHEMBL862699 | 60 | Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate |
325794 | CHEMBL862700 | 60 | Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate |
872705 | CHEMBL2184685 | 60 | Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting |
375257 | CHEMBL867484 | 60 | Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells |
936414 | CHEMBL2317407 | 60 | Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells |
936415 | CHEMBL2317408 | 60 | Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells |
325795 | CHEMBL862701 | 60 | Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate |
425772 | CHEMBL855762 | 60 | Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay |
1527911 | CHEMBL3705162 | 60 | Binding Assay: Binding assay using Bradykinin-1 receptor. |
364154 | CHEMBL870844 | 60 | Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells |
982934 | CHEMBL2429574 | 59 | Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis |
1342913 | CHEMBL3259188 | 59 | Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 180 mins by Michaelis-Menten plot analysis |
448200 | CHEMBL898460 | 59 | Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells |
397859 | CHEMBL856320 | 59 | Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells |
1437207 | CHEMBL3382981 | 59 | Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counting analysis |
1278707 | CHEMBL3096081 | 59 | Displacement of [3H]PSB-603 from human adenosine A2B receptor |
1278706 | CHEMBL3096080 | 59 | Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum |
1527697 | CHEMBL3705226 | 59 | Radioligand Binding Assay: The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PGD2 (Perkin Elmer, NET616000MC). CHO-K1-hCRTH2 cell membranes are again homogenized by passing through a single use needle (Terumo, 23Gx1") and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well). The SPA assay is set up in 96 well microtiter plates (Perkin Elmer, Cat No. 6005040) in SPA incubation buffer with a final volume of 200 uL per well and final concentration of 50 mM Tris-HCl, 10 mM MgCl2, 150 mM NaCl, 1 mM EDTA pH 7.4, 0.1% bovine serum albumin). The SPA assay mixture contains 60 ul of the membrane suspension, 80 uL of Wheat Germ Agglutinin coated PVT beads (GE Healthcare, RPNQ-0001, 0.3 mg/well), 40 uL of [3H]-PGD2 diluted in SPA buffer to a final concentration of 1 nM (50 000 dpm) and 20 uL of the test compound (dissolved in dimethylsulfoxide). The SPA assay mixture is incubated for 3 h at room temperature. |
1278703 | CHEMBL3096077 | 59 | Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells |
1278708 | CHEMBL3096082 | 59 | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
1278709 | CHEMBL3096083 | 59 | Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex |
629414 | CHEMBL1105767 | 59 | Binding affinity to human histamine H3 receptor |
398818 | CHEMBL908038 | 59 | Binding affinity to human MCHR1 |
1535209 | CHEMBL3707811 | 58 | Biological Assay: Biological assay using monoamine oxidase or LSD1. |
621604 | CHEMBL1113036 | 58 | Displacement of SST14 from human recombinant SST3 receptor |
621603 | CHEMBL1113035 | 58 | Displacement of SST14 from human recombinant SST2 receptor |
1280134 | CHEMBL3097705 | 58 | Displacement of [3H]methyllycaconitine from alpha7 nAChR in Sprague-Dawley rat forebrain P2 fraction after 90 mins by liquid scintillation counting analysis |
1527788 | CHEMBL3705322 | 58 | Biological Assay: Biological assay using monoamine oxidase or LSD1. |
446257 | CHEMBL895361 | 58 | Displacement of [125I]neurokinin A from human recombinant NK2 receptor |
621599 | CHEMBL1113031 | 58 | Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay |
1785273 | CHEMBL4256790 | 58 | Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) in presence of FITC-MLL peptide by FPA assay |
560532 | CHEMBL1021382 | 58 | Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
931327 | CHEMBL3069984 | 58 | Binding affinity to acetylcholinesterase (unknown origin) |
560533 | CHEMBL1021383 | 58 | Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting |
355136 | CHEMBL853189 | 58 | Displacement of [3H]nisoxetine from NET |
621605 | CHEMBL1113037 | 58 | Displacement of SST14 from human recombinant SST4 receptor |
443964 | CHEMBL892111 | 57 | Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane |
1278712 | CHEMBL3096086 | 57 | Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells |
860488 | CHEMBL2166657 | 57 | Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay |
443967 | CHEMBL892114 | 57 | Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane |
860487 | CHEMBL2166656 | 57 | Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay |
355134 | CHEMBL853187 | 57 | Displacement of [3H]citalopram from SERT |
634857 | CHEMBL1120489 | 57 | Displacement [3H]Arg human recombinant Vasopressin V2 receptor |
634856 | CHEMBL1120488 | 57 | Displacement [3H]Arg human recombinant Vasopressin V1a receptor |
520160 | CHEMBL947848 | 57 | Inhibition of human liver CE1-mediated O-nitrophenyl acetate hydrolysis by spectrophotometry |
404874 | CHEMBL869276 | 57 | Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells |
821892 | CHEMBL2039538 | 57 | Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay |
450409 | CHEMBL900693 | 57 | Inhibition of human CB2 receptor expressed in CHO cells |
860486 | CHEMBL2166655 | 57 | Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay |
443966 | CHEMBL892113 | 57 | Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane |
685646 | CHEMBL1285548 | 57 | Inhibition of wild type HIV1 protease by FRET |
860485 | CHEMBL2166654 | 57 | Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay |
443965 | CHEMBL892112 | 57 | Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane |
588142 | CHEMBL1049259 | 57 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells |
588141 | CHEMBL1049258 | 57 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells |
1534939 | CHEMBL3707803 | 56 | Biological Assay: Biological assay using monoamine oxidase or LSD1. |
363667 | CHEMBL853234 | 56 | Displacement of [3H]BK from human B2 receptor transfected in CHO cells |
863118 | CHEMBL2175616 | 56 | Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter |
363669 | CHEMBL853236 | 56 | Binding affinity to human B1 receptor |
391331 | CHEMBL870467 | 56 | Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells |
1351394 | CHEMBL3266970 | 56 | Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting |
1528180 | CHEMBL3705650 | 56 | Enzyme Assay: All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, 25 nmoles of the compound are incubated in TME buffer with 0.1% BSA (final volume of 250 uL) for 15 minutes at 37 C. Samples (100 uL) are taken at the start of the assay and after 15 minutes, diluted 1:5 with acetonitrile and centrifuged (20,000 RCF, five minutes, room temperature) to precipitate the proteins. The resulting supernatant is injected onto the HPLC. Calculations for determining the percent compound remaining are described in the following equation:% R=Peak Area (T15)/Peak Area (T0)To determine whether or not the compounds are good substrates for FAAH, 25 nmoles of the compound were incubated with 75 ug enzyme preparation in TME buffer with 0.1% BSA (final volume 250 uL). The reaction mixture is treated in the same manner as described above. |
441650 | CHEMBL891881 | 56 | Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells |
611932 | CHEMBL1071493 | 56 | Inhibition of human adenosine 2A receptor |
336777 | CHEMBL864338 | 56 | Inhibitory activity against Src in cell free assay |
303283 | CHEMBL828276 | 56 | Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue |
816345 | CHEMBL2024743 | 56 | Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction in basal ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay |
373919 | CHEMBL868541 | 56 | Inhibition of matriptase |
513861 | CHEMBL970755 | 56 | Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0 |
737263 | CHEMBL1613909 | 56 | PUBCHEM_BIOASSAY: SAR Colorimetric assay for the identification of compounds that inhibit VHR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1878, AID1957, AID1958, AID1992, AID2074, AID2082, AID2083] |
391332 | CHEMBL870468 | 56 | Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells |
1522895 | CHEMBL3630768 | 56 | Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as substrate by spectrofluorometric analysis |
1690030 | CHEMBL4040600 | 56 | Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBalpha as substrate after 60 mins by DELFIA |
444276 | CHEMBL894516 | 55 | Binding affinity to human cloned adrenergic alpha-1A receptor |
444277 | CHEMBL894517 | 55 | Binding affinity to human cloned adrenergic alpha-1B receptor |
444278 | CHEMBL894518 | 55 | Binding affinity to human cloned adrenergic Alpha-1D receptor |
469216 | CHEMBL948917 | 55 | Inhibition of human alpha-thrombin |
1468240 | CHEMBL3411783 | 55 | Binding affinity to CB2 receptor (unknown origin) |
700657 | CHEMBL1645696 | 55 | Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay |
700655 | CHEMBL1645694 | 55 | Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay |
700656 | CHEMBL1645695 | 55 | Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay |
700659 | CHEMBL1645698 | 55 | Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay |
979771 | CHEMBL2421816 | 55 | Inhibition of TYK2 (unknown origin) using 5-carboxyfluorescein-VALVDGYFRLTT-NH2 as substrate |
362986 | CHEMBL871249 | 55 | Inhibition of human recombinant DPP4 |
700658 | CHEMBL1645697 | 55 | Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay |
979759 | CHEMBL2421804 | 55 | Inhibition of JAK1 (unknown origin) |
876706 | CHEMBL2183177 | 54 | Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr |
302845 | CHEMBL827890 | 54 | Binding affinity for Human gonadotropin-releasing hormone receptor |
373920 | CHEMBL868542 | 54 | Inhibition of uPA |
373921 | CHEMBL868543 | 54 | Inhibition of plasmin |
373922 | CHEMBL868544 | 54 | Inhibition of thrombin |
373923 | CHEMBL868545 | 54 | Inhibition of f10a |
438974 | CHEMBL889317 | 54 | Inhibition of human F10a |
438975 | CHEMBL889318 | 54 | Inhibition of human F2a |
444279 | CHEMBL894519 | 54 | Binding affinity to human dopamine D2 receptor |
472994 | CHEMBL931641 | 54 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells |
472995 | CHEMBL931642 | 54 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells |
501433 | CHEMBL994692 | 54 | Displacement of [3H]LSD from human recombinant 5HT6 receptor |
536731 | CHEMBL984525 | 54 | Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane |
560534 | CHEMBL1021384 | 54 | Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting |
560535 | CHEMBL1021385 | 54 | Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting |
675412 | CHEMBL1273492 | 54 | Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis |
803919 | CHEMBL1954606 | 54 | Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain |
876705 | CHEMBL2182818 | 54 | Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr |
979760 | CHEMBL2421805 | 54 | Inhibition of JAK2 (unknown origin) |
1503354 | CHEMBL3590745 | 54 | Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay |
1503356 | CHEMBL3590859 | 54 | Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay |
1528733 | CHEMBL3705892 | 54 | Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 2.3 nM, resulting in the binding of approximately 0.2% of the radioligand and a specific binding representing approximately 85% of the total binding. Nonspecific binding was defined as the amount of 3-[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 pM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (TreffLab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3Kd in nM. |
1528734 | CHEMBL3705893 | 54 | Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was used at a concentration equal to the calculated Kd value, that was usually around 0.7 nM, resulting in the binding of approximately 0.5% of the radioligand and a specific binding representing approximately 70% of the total binding. Nonspecific binding was defined as the amount of 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 uM unlabeled ligand. All compounds were tested at a broad range of concentrations (10 uM to 10 uM) in duplicates. The test compounds (20 ul/well) were transferred into a 96 deep well plate (Treff Lab), and 180 ul of HEPES-NaOH (20 mM, pH 7.4) containing MgCl2 (10 mM) and CaCl2 (2 mM) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3 Kd in nM. |
1776530 | CHEMBL4233522 | 54 | Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes |
1344334 | CHEMBL3257004 | 53 | Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis |
873559 | CHEMBL2187476 | 53 | Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells |
769241 | CHEMBL1833078 | 53 | Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes |
990337 | CHEMBL2445750 | 53 | Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis |
990336 | CHEMBL2445749 | 53 | Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis |
384211 | CHEMBL868581 | 53 | Binding affinity to human 5HT2C receptor |
384212 | CHEMBL868582 | 53 | Binding affinity to human 5HT2A receptor |
384213 | CHEMBL868583 | 53 | Binding affinity to human 5HT2B receptor |
411464 | CHEMBL853861 | 53 | Displacement of [125I]motilin from human MOTR |
425512 | CHEMBL909602 | 53 | Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay |
1352081 | CHEMBL3267346 | 53 | Inhibition of human recombinant adenosine receptor A2b |
554819 | CHEMBL953972 | 53 | Displacement of [3H]CP-55940 from human CB2 receptor |
536733 | CHEMBL984527 | 53 | Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells |
447747 | CHEMBL895641 | 53 | Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells |
157733 | CHEMBL765171 | 53 | Inhibitory activity against HIV protease |
52222 | CHEMBL663972 | 53 | In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]LTD4 binding assay in guinea pig lung membranes |
470061 | CHEMBL933439 | 53 | Inhibition of human factor 10a |
1638156 | CHEMBL3881217 | 53 | Displacement of [3H]-PGD2 from PGD2 receptor in human platelet membranes after 2 hrs by micro beta scintillation counting analysis |
856369 | CHEMBL2160724 | 53 | Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay |
1671313 | CHEMBL4021342 | 53 | Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins |
1352085 | CHEMBL3267350 | 52 | Inhibition of human recombinant adenosine A3 receptor |
1330007 | CHEMBL3222515 | 52 | Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CHO-K1 cells |
1527992 | CHEMBL3705912 | 52 | Binding Assay: Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138). |
1330005 | CHEMBL3222513 | 52 | Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cells |
873597 | CHEMBL2187886 | 52 | Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells |
859794 | CHEMBL2169622 | 52 | Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting |
859793 | CHEMBL2169621 | 52 | Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting |
859792 | CHEMBL2169620 | 52 | Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting |
859791 | CHEMBL2169619 | 52 | Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting |
835846 | CHEMBL2071957 | 52 | Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay |
801859 | CHEMBL1947471 | 52 | Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells |
790253 | CHEMBL1925646 | 52 | Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay |
699418 | CHEMBL1647445 | 52 | Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay |
665493 | CHEMBL1261324 | 52 | Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells |
554820 | CHEMBL953973 | 52 | Displacement of [3H]CP-55940 from human CB1 receptor |
497564 | CHEMBL998621 | 52 | Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells |
475717 | CHEMBL934603 | 52 | Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells |
450845 | CHEMBL899931 | 52 | Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells |
448716 | CHEMBL897862 | 52 | Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells |
436469 | CHEMBL904776 | 52 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA |
425511 | CHEMBL909601 | 52 | Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay |
396128 | CHEMBL910349 | 52 | Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells |
370710 | CHEMBL867233 | 52 | Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor |
361059 | CHEMBL859181 | 52 | Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells |
1681750 | CHEMBL4032027 | 52 | Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method |
327232 | CHEMBL865131 | 52 | Inhibitory activity against human glutaminyl cyclase |
304037 | CHEMBL840215 | 52 | Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells |
157714 | CHEMBL763388 | 52 | Inhibition constant against HIV-1 Protease |
1444591 | CHEMBL3375410 | 52 | Displacement of [3H]CP55940 from human CB1R expressed in CHO cells |
1444590 | CHEMBL3375409 | 52 | Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells |
613740 | CHEMBL1068887 | 51 | Displacement of [3H]nisoxetine from human recombinant NET expressed in BacMam virus-transduced cells by scintillation proximity assay |
613741 | CHEMBL1068888 | 51 | Displacement of [3H]citalopram from human recombinant SERT expressed in BacMam virus-transduced cells by scintillation proximity assay |
1772843 | CHEMBL4229835 | 51 | Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method |
1790426 | CHEMBL4262345 | 51 | Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting method |
1772844 | CHEMBL4229836 | 51 | Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method |
344236 | CHEMBL867755 | 51 | Inhibition of bovine CA4 |
344235 | CHEMBL870709 | 51 | Inhibition of human CA2 |
335548 | CHEMBL859414 | 51 | Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain |
36514 | CHEMBL650169 | 51 | Inhibitory activity of compound against HIV-1 aspartyl protease. |
1772845 | CHEMBL4229837 | 51 | Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method |
457478 | CHEMBL941996 | 51 | Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus |
1772846 | CHEMBL4229838 | 51 | Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method |
1790472 | CHEMBL4262391 | 51 | Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method |
1571915 | CHEMBL3796307 | 51 | Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells |
513860 | CHEMBL970754 | 51 | Inhibition of rat FAAH expressed in Escherichia coli |
436470 | CHEMBL904775 | 51 | Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH |
932187 | CHEMBL3073105 | 51 | Binding affinity to dopamine D2 receptor (unknown origin) |
587702 | CHEMBL1037716 | 51 | Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells |
953474 | CHEMBL2351085 | 51 | Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis |
422416 | CHEMBL909851 | 51 | Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells |
610979 | CHEMBL1070310 | 51 | Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane |
1772842 | CHEMBL4229834 | 51 | Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method |
613739 | CHEMBL1068886 | 51 | Displacement of [3H]WIN-35428 from human recombinant DAT expressed in BacMam virus-transduced cells by scintillation proximity assay |
assay_id = 1528353
smis = %sql \
select chembl_id,m from activities \
join rdk.mols using (molregno)\
join chembl_id_lookup on (molregno=entity_id and entity_type='COMPOUND')\
where assay_id = :assay_id
ms = [Chem.MolFromSmiles(y) for x,y in smis]
Draw.MolsToGridImage(ms[:12],molsPerRow=4)
* postgresql://localhost/chembl_26
tpl,svg=MCS_Report(ms,threshold=0.9,completeRingsOnly=True)
SVG(svg)
Mean nAts 30.7, mcs nAts: 18 [#8,#6,#7,#9]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@1-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1-&!@[#6])-&!@[#7,#8]-&!@[#6]
RDKit ERROR: [07:35:34] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:35:34] Aromatic bonds on non aromatic atom 1
results = []
for row in d:
assay_id=row[0]
print(row)
smis = %sql \
select chembl_id,m from activities \
join rdk.mols using (molregno)\
join chembl_id_lookup on (molregno=entity_id and entity_type='COMPOUND')\
where assay_id = :assay_id
ms = [Chem.MolFromSmiles(y) for x,y in smis]
tpl,svg=MCS_Report(ms,threshold=0.9,completeRingsOnly=True)
results.append((row,smis,tpl,svg))
(1528353, 'CHEMBL3706284', 98, "Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Genebank accession numberNM_001526) were grown to confluency in DMEM (Hy ... (715 characters truncated) ... petition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity = 29.6 Ci/mmol).") * postgresql://localhost/chembl_26 Mean nAts 30.7, mcs nAts: 18 [#8,#6,#7,#9]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@1-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1-&!@[#6])-&!@[#7,#8]-&!@[#6] (1527605, 'CHEMBL3705289', 97, 'Binding assay: Binding assay was performed at 4 C. in a final volume of 1 ml, and with an incubation time of 30 min. The radioligand [3H]-rac-2-(1,2, ... (483 characters truncated) ... ide range of concentrations (10 μM-30 μM). The final dimethylsulphoxide concentration in the assay was 2%, and it did not affect radioligand binding.') * postgresql://localhost/chembl_26 Mean nAts 18.2, mcs nAts: 15 [#7]-&!@[#6]1=&@[#7]-&@[#6](-&@[#6]-&@[#8]-&@1)-&!@[#6]-&!@[#6,#8]-&!@[#8,#6,#14,#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1537148, 'CHEMBL3734283', 97, 'Inhibition of human GRK2 after 90 to 120 mins by Kinase-Glo assay') * postgresql://localhost/chembl_26
RDKit ERROR: [07:38:30] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:38:30] Aromatic bonds on non aromatic atom 1
Mean nAts 23.8, mcs nAts: 19 [#8]=&!@[#6](-&!@[#6]-&!@[#7,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#7]=,-;!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#7]:&@[#6]:&@[#6]:&@1 (1535508, 'CHEMBL3707832', 95, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (679 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.1, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1:,-;@[#6]:,-;@[#6]:,-;@[#8]:,-;@2 (1547124, 'CHEMBL3755859', 95, 'Competitive inhibition of human aromatase extracted from placental microsomes after 5 mins by Dixon plot analysis in presence of [1beta-3H]AD') * postgresql://localhost/chembl_26 Mean nAts 24.7, mcs nAts: 19 [#6]-&!@[#6]12-&@[#6]-&@[#6]-&@[#6]3-&@[#6](-&@[#6]-&@1-&@[#6]-&@[#6]-&@[#6]-&@2=,-;!@[#8])-&@[#6]-,=;@[#6]-,=;@[#6]1-,:;@[#6]-&@3-,:;@[#6]-,=,:;@[#6]-,:;@[#6]-,=,:;@[#6]=,-,:;@1 (1528370, 'CHEMBL3705383', 95, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (679 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.1, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-,:;@[#6]-,:;@[#6]-,:;@[#8]-,:;@2 (1535361, 'CHEMBL3707859', 95, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (679 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.1, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-,:;@[#6]-,:;@[#6]-,:;@[#8]-,:;@2 (444873, 'CHEMBL894022', 94, 'Inhibition of human recombinant MetAP2') * postgresql://localhost/chembl_26 Mean nAts 22.4, mcs nAts: 15 [#6]-&!@[#6]-&!@[#16]-&!@[#6]1:&@[#7]:&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6]:&@1 (1613477, 'CHEMBL3855277', 94, 'Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [07:38:36] Aromatic bonds on non aromatic atom 14 RDKit INFO: [07:38:36] Aromatic bonds on non aromatic atom 14
Mean nAts 33.1, mcs nAts: 7 [#6]-&!@[#6,#7]1:&@[#7,#6]:&@[#6,#7]:&@[#8,#6,#7,#16]:&@[#6,#7]:&@1-&!@[#6] (1528694, 'CHEMBL3705468', 94, 'Radioligand Binding Assay: Radioligand binding assays for cloned muscarinic receptors were performed in 96-well microtiter plates in a total assay vo ... (671 characters truncated) ... centrations ranging from 0.001 nM to 20 nM.Displacement assays for determination of Ki values of test compounds were performed with [3H]-NMS at 1 nM.') * postgresql://localhost/chembl_26 Mean nAts 62.4, mcs nAts: 29 [#6]-&!@[#7](-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#8]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1613478, 'CHEMBL3855278', 93, 'Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 33.1, mcs nAts: 7 [#6]-&!@[#6,#7]1:&@[#7,#6]:&@[#6,#7]:&@[#8,#6,#7,#16]:&@[#6,#7]:&@1-&!@[#6] (464889, 'CHEMBL949088', 92, 'Inhibition of rat recombinant FAAH expressed in Escherichia coli') * postgresql://localhost/chembl_26 Mean nAts 28.5, mcs nAts: 15 [#6](-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6,#7,#8,#16])-&!@[#6]1:&@[#7]:&@[#6]:&@[#6]:&@[#8]:&@1 (1527832, 'CHEMBL3705059', 92, 'Radioligand Binding Assay: Radioligand binding assay using muscarinic receptors.') * postgresql://localhost/chembl_26 Mean nAts 62.5, mcs nAts: 29 [#6]-&!@[#7](-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#8]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (437192, 'CHEMBL906590', 92, 'Displacement of [125I]MCH from MCHR1 expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 36.0, mcs nAts: 20 [#8]=&!@[#6](-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6](:&@[#6]:&@1)-&!@[#17,#6,#7,#8,#9,#35])-&!@[#7](-&!@[#6]-&!@[#6])-&!@[#6]1-&@[#6]-&@[#6]=,-;@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6] (302650, 'CHEMBL839940', 92, 'Binding affinity for human glycogen synthase kinase 3 beta') * postgresql://localhost/chembl_26
RDKit ERROR: [07:40:10] Aromatic bonds on non aromatic atom 8 RDKit INFO: [07:40:10] Aromatic bonds on non aromatic atom 8
Mean nAts 30.0, mcs nAts: 22 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#6]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#7]:&@[#7]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 (302524, 'CHEMBL827377', 91, 'Binding affinity for human cyclin-dependent kinase 2') * postgresql://localhost/chembl_26 Mean nAts 30.0, mcs nAts: 22 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#6]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#7]:&@[#7]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2 (303563, 'CHEMBL828963', 91, 'Inhibition of [125I]eotaxin-1 binding to human chemokine receptor (hCCR3-C1)') * postgresql://localhost/chembl_26 Mean nAts 33.6, mcs nAts: 24 [#6,#7,#8]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#7,#6](-,:;@[#6]-,:;@[#6]-,:;@1)-&!@[#6](-&!@[#6]-&!@[#7]-&!@[#6]-&!@[#6,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@1 (213236, 'CHEMBL821446', 88, 'Binding affinity towards trypsin') * postgresql://localhost/chembl_26
RDKit ERROR: [07:40:13] Aromatic bonds on non aromatic atom 23 RDKit INFO: [07:40:13] Aromatic bonds on non aromatic atom 23
Mean nAts 36.1, mcs nAts: 24 [#7,#8]-,=;!@[#6](=,-;!@[#8,#6,#7])-&!@[#6](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6](=&!@[#7])-&!@[#7])-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1528352, 'CHEMBL3706283', 88, "Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or ... (710 characters truncated) ... sence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL.") * postgresql://localhost/chembl_26 Mean nAts 30.6, mcs nAts: 18 [#8,#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@1-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1-&!@[#6])-&!@[#7,#8]-&!@[#6] (1537103, 'CHEMBL3734209', 88, 'Displacement of [3H]-PrRP from human GPR10 receptor expressed in HEK293 cell membranes incubated for 90 mins by liquid scintillation counting method') * postgresql://localhost/chembl_26
RDKit ERROR: [07:40:47] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:40:47] Aromatic bonds on non aromatic atom 1
Mean nAts 37.5, mcs nAts: 25 [#6]-&!@[#8,#6,#7]-&!@[#7]1:&@[#6](-&!@[#7]-&!@[#6](-&!@[#6])-&!@[#6]2-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@2):&@[#7]:&@[#6]2:&@[#6](:&@[#6]:&@1=&!@[#8])-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6](=,-;!@[#8,#6])-,=;!@[#6,#8] (1535076, 'CHEMBL3707804', 88, 'Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (691 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1535965, 'CHEMBL3707598', 88, 'Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (691 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1528654, 'CHEMBL3706129', 87, 'Radioligand Binding Assay: liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (691 characters truncated) ... for 1 h at RT. At the end of the incubation, the reaction mixtures were filtered on to unifilter 96-well white microplates with bonded GF/C filters.') * postgresql://localhost/chembl_26 Mean nAts 32.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (303638, 'CHEMBL828848', 86, 'Inhibitory constant determined against recombinant Fatty-acid amide hydrolase from rat expressed in Escherichia coli') * postgresql://localhost/chembl_26 Mean nAts 24.8, mcs nAts: 9 [#8,#6]=,-,#;!@[#6,#14]-&!@[#6]-,#;!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]-,#;!@[#6]-,=;!@[#6,#8,#9] (1620948, 'CHEMBL3863231', 86, 'Displacement of [3H]rosiglitazone from recombinant human C-terminal His-tagged MitoNEET cytosolic domain (32 to 108 residues) expressed in Escherichia coli BL21 by Cheng-Prusoff analysis') * postgresql://localhost/chembl_26 Mean nAts 20.3, mcs nAts: 7 [#6,#7,#8,#16]-,=;!@[#6,#7]1:,-,=;@[#6,#7]:,-;@[#6,#7]:,-;@[#6,#7,#8,#16]:,-,=;@[#6,#7]:,-;@[#6,#7]:,-;@1 (1332011, 'CHEMBL3223904', 85, 'Antagonist activity at human adenosine A1 receptor expressed in CHO-K1 cells preincubated for 15 mins before r-PIA addition measured after 5.5 to 6 hrs by beta-galactosidase reporter gene assay') * postgresql://localhost/chembl_26 Mean nAts 24.2, mcs nAts: 13 [#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]2:&@[#6](:&@[#16]:&@1):&@[#7]:&@[#6](:&@[#7]:&@[#6]:&@2-&!@[#7])-&!@[#6] (1637967, 'CHEMBL3881028', 85, 'Inhibition of full length human C-terminal 6His-tagged CHK1 expressed in baculovirus/insect expression system assessed as reduction in NADH oxidation using Syntide2 as substrate by pyruvate kinase/lactate dehydrogenase coupled assay') * postgresql://localhost/chembl_26 Mean nAts 27.9, mcs nAts: 11 [#6,#7,#8,#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1):&@[#7]:&@[#7]:&@[#6]:&@2-&!@[#6] (304044, 'CHEMBL840221', 85, 'Binding affinity against Opioid receptor kappa 1 from guinea pig brain membranes using [3H]U-69593') * postgresql://localhost/chembl_26 Mean nAts 33.2, mcs nAts: 18 [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#6]13-&@[#6]-&@[#6]-&@[#7](-&@[#6](-&@[#6]-&@2)-&@[#6]-&@1-&@[#6]-&@[#6]-,:;@[#6]-&@[#6]-&@3)-&!@[#6] (304036, 'CHEMBL840214', 84, 'Binding affinity against Opioid receptor mu 1 from rat brain membranes using [3H]DAMGO') * postgresql://localhost/chembl_26 Mean nAts 33.0, mcs nAts: 18 [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#6]13-&@[#6]-&@[#6]-&@[#7](-&@[#6](-&@[#6]-&@2)-&@[#6]-&@1-&@[#6]-&@[#6]-,:;@[#6]-&@[#6]-&@3)-&!@[#6] (303375, 'CHEMBL839693', 84, 'Binding affinity for human tachykinin receptor 2 was measured by using [125I]NKA as radio ligand') * postgresql://localhost/chembl_26 Mean nAts 37.2, mcs nAts: 24 [#8,#6,#7]=,-;!@[#6](-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#8]-&@[#6]-&@[#6]-&@1)-,=;!@[#6,#7,#8] (609034, 'CHEMBL1064501', 84, 'Inhibition of human P2Y12 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 47.2, mcs nAts: 37 [#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#8]-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6](-&!@[#6]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6](-&!@[#7]):&@[#6]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (444902, 'CHEMBL894050', 82, 'Inhibition of ENT1 in human K562 cells by flow cytometric assay') * postgresql://localhost/chembl_26 Mean nAts 35.4, mcs nAts: 20 [#7,#6]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#7,#8]-&!@[#6]-&!@[#6]-&!@[#8]):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#7]:&@[#6](:&@[#7]:&@[#6]:&@2-&!@[#7,#6])-&!@[#7,#8]-&!@[#6]-&!@[#6]-&!@[#8] (1366808, 'CHEMBL3297243', 82, 'Displacement of [3H]ketanserin from human recombinant 5-HT2A receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26 Mean nAts 31.8, mcs nAts: 21 [#8,#6,#16]=,-;!@[#16,#7]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#7]:&@[#16,#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1366806, 'CHEMBL3297241', 82, 'Displacement of [3H]LSDm from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 60 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:13] Aromatic bonds on non aromatic atom 12 RDKit INFO: [07:43:13] Aromatic bonds on non aromatic atom 12
Mean nAts 31.8, mcs nAts: 21 [#8,#6,#16]=,-;!@[#16,#7]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#7]:&@[#16,#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1366807, 'CHEMBL3297242', 82, 'Displacement of [3H]LSD from human recombinant 5-HT7 receptor expressed in CHO-K1 cell membrane after 120 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:14] Aromatic bonds on non aromatic atom 12 RDKit INFO: [07:43:14] Aromatic bonds on non aromatic atom 12
Mean nAts 31.8, mcs nAts: 21 [#8,#6,#16]=,-;!@[#16,#7]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#7]:&@[#16,#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1366809, 'CHEMBL3297244', 82, 'Displacement of [3H]N-methylspiperone from human recombinant D2 receptor expressed in CHO-K1 cell membrane after 60 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:15] Aromatic bonds on non aromatic atom 12 RDKit INFO: [07:43:15] Aromatic bonds on non aromatic atom 12
Mean nAts 31.8, mcs nAts: 21 [#8,#6,#16]=,-;!@[#16,#7]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#7]:&@[#16,#8]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1659425, 'CHEMBL4009037', 81, 'Displacement of [3H]-LSD from recombinant human 5-HT6 receptor expressed in HEK293 cells after 60 mins') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:16] Aromatic bonds on non aromatic atom 12 RDKit INFO: [07:43:16] Aromatic bonds on non aromatic atom 12
Mean nAts 29.7, mcs nAts: 25 [#8]=&!@[#16](=&!@[#8])(-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7]1:&@[#6,#7]:&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6,#7]:&@[#6]:&@[#6]:&@[#6,#7]:&@2)-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@1 (418719, 'CHEMBL912951', 80, 'Displacement of [125I]CCK-8S from human CCK2R') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:18] Aromatic bonds on non aromatic atom 9 RDKit INFO: [07:43:18] Aromatic bonds on non aromatic atom 9
Mean nAts 29.5, mcs nAts: 18 [#8,#7]=,-;!@[#6](-&!@[#6]1:,-;@[#6]:,=;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,=;@1-&!@[#7]-&!@[#16,#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-,=;!@[#7,#8] (981861, 'CHEMBL2427556', 80, 'Binding affinity to human adenosine A3 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:48] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:43:48] Aromatic bonds on non aromatic atom 2
Mean nAts 30.8, mcs nAts: 19 [#6]-&!@[#7]1:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7]:&@[#6](:&@[#7]1:&@[#6]:&@2:&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1)-&!@[#7] (1535759, 'CHEMBL3707774', 79, 'Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]ML ... (656 characters truncated) ... er was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells.') * postgresql://localhost/chembl_26 Mean nAts 17.3, mcs nAts: 15 [#8]=&!@[#6](-&!@[#6]1:&@[#6,#7,#8]:&@[#6,#7,#8]:&@[#7,#6,#8]:&@[#8,#6,#7]:&@1)-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@[#6]-&@1 (429601, 'CHEMBL919033', 79, 'Displacement of [3h]DPCPX from adenosine A receptor in rat cerebral cortex membrane') * postgresql://localhost/chembl_26
RDKit ERROR: [07:43:49] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:43:49] Aromatic bonds on non aromatic atom 2
Mean nAts 32.5, mcs nAts: 16 [#7]-&!@[#6]1:&@[#7,#6]:&@[#6](-&!@[#7]):&@[#7,#6]:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1 (1528657, 'CHEMBL3706132', 79, 'Radioligand Binding: The binding of [3H]MLA was measured using a modification of the methods of Davies et al., Neuropharmacol. 38: 679 (1999). [3H]ML ... (656 characters truncated) ... er was washed with PBS (3x1 mL) at room temperature. Non-specific binding was determined by inclusion of 50 uM non-radioactive MLA in selected wells.') * postgresql://localhost/chembl_26 Mean nAts 17.3, mcs nAts: 15 [#8]=&!@[#6](-&!@[#6]1:&@[#6,#7,#8]:&@[#6,#7,#8]:&@[#6,#7,#8]:&@[#8,#6,#7]:&@1)-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@[#6]-&@1 (583010, 'CHEMBL1051848', 79, 'Displacement of [H]GR-113808 from human 5HT4C receptor expressed in HEK293 cells by liquid scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [07:44:02] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:44:02] Aromatic bonds on non aromatic atom 1 RDKit ERROR: [07:44:02] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:44:02] Aromatic bonds on non aromatic atom 2
Mean nAts 32.3, mcs nAts: 9 [#6]1:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@1-&!@[#6,#7]-&!@[#7,#6,#8]-,=;!@[#6,#7,#8] (1527942, 'CHEMBL3705629', 79, 'Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.') * postgresql://localhost/chembl_26 Mean nAts 31.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (429600, 'CHEMBL919032', 79, 'Displacement of [3H]ZM241385 from adenosine A2A receptor in rat brain membrane') * postgresql://localhost/chembl_26
RDKit ERROR: [07:44:02] Aromatic bonds on non aromatic atom 0 RDKit INFO: [07:44:02] Aromatic bonds on non aromatic atom 0
Mean nAts 32.5, mcs nAts: 16 [#7]-&!@[#6]1:&@[#7,#6]:&@[#6](-&!@[#7]):&@[#7,#6]:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1 (1535083, 'CHEMBL3707825', 79, 'Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.') * postgresql://localhost/chembl_26 Mean nAts 31.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (1535448, 'CHEMBL3707696', 79, 'Biochemical Assay: The ability of the compounds to bind to the 5-HT2A, D3 and D2 receptors was determined using radioligand binding to cloned receptors selectively expressed in HEK-293 EBNA cells.') * postgresql://localhost/chembl_26 Mean nAts 31.8, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (1527798, 'CHEMBL3705339', 78, 'Enzymatic Assay: The enzymatic activity of PAK4 KD was measured by its ability to catalyzed the transfer of a phosphate residue from a nucleoside triphosphate to an amino acid side chain of a commercially available peptide (amino acid sequence EVPRRKSLVGTPYWM).') * postgresql://localhost/chembl_26
RDKit ERROR: [07:44:15] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:44:15] Aromatic bonds on non aromatic atom 1
Mean nAts 33.9, mcs nAts: 21 [#6]1:&@[#7,#6]:&@[#6]:&@[#6,#7]:&@[#6](:&@[#7,#6]:&@1)-&!@[#7]-&!@[#6]1:&@[#7]:&@[#7]:&@[#6]2:&@[#6]:&@1-&@[#6]-&@[#7](-&@[#6]-&@2(-&!@[#6])-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7,#8]-&!@[#6] (1637416, 'CHEMBL3880477', 78, 'Displacement of [3H]-2-[4-(3-azidophenyl)-2-oxo-1-pyrrolidinyl]butanamide from SV2A levetiracetam binding site in Sprague-Dawley rat cerebral cortex membranes after 120 mins by liquid scintillation counting method') * postgresql://localhost/chembl_26
RDKit ERROR: [07:44:45] Aromatic bonds on non aromatic atom 0 RDKit INFO: [07:44:45] Aromatic bonds on non aromatic atom 0
Mean nAts 17.1, mcs nAts: 13 [#6,#7]-&!@[#6]1-&@[#6]-&@[#6](-&@[#7](-&@[#6]-&@1)-&!@[#6](-&!@[#6]-&!@[#6])-&!@[#6](-,=;!@[#7,#8])=,-;!@[#8,#7])=&!@[#8] (880272, 'CHEMBL2215850', 78, 'Displacement of [125I]-CXCL10 from human CXCR3 expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 25.1, mcs nAts: 11 [#6,#7]-,=;!@[#7,#6](-&!@[#6,#7]-,=;!@[#6,#8])-&!@[#6,#7]-&!@[#6]1:,-,=;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@1 (1534795, 'CHEMBL3707798', 77, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (546 characters truncated) ... [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT.') * postgresql://localhost/chembl_26 Mean nAts 31.7, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (1638066, 'CHEMBL3881127', 77, 'Inhibition of recombinant MCH5 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay') * postgresql://localhost/chembl_26
RDKit ERROR: [07:44:47] Aromatic bonds on non aromatic atom 5 RDKit INFO: [07:44:47] Aromatic bonds on non aromatic atom 5
Mean nAts 41.1, mcs nAts: 22 [#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6,#15] (1638064, 'CHEMBL3881125', 77, 'Inhibition of recombinant MCH2 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay') * postgresql://localhost/chembl_26 Mean nAts 41.1, mcs nAts: 22 [#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6,#15] (1638062, 'CHEMBL3881123', 77, 'Inhibition of recombinant CPP32 (unknown origin) pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay') * postgresql://localhost/chembl_26 Mean nAts 41.1, mcs nAts: 22 [#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6,#15] (1638060, 'CHEMBL3881121', 77, 'Inhibition of mouse recombinant ICE pre-incubated for 60 mins with Acetyl-Tyr-Val-Ala-Asp-amino-4-methylcoumarin substrate followed by enzyme addition by fluorescence based assay') * postgresql://localhost/chembl_26 Mean nAts 41.1, mcs nAts: 22 [#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6,#15] (418718, 'CHEMBL913512', 77, 'Displacement of [125I]CCK-8S from human CCK1R') * postgresql://localhost/chembl_26 Mean nAts 29.6, mcs nAts: 19 [#8,#7]=,-;!@[#6](-&!@[#6]1:,-;@[#6]:,=;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,=;@1-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-,=;!@[#7,#8] (471789, 'CHEMBL939997', 77, 'Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:45:29] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:45:29] Aromatic bonds on non aromatic atom 2
Mean nAts 38.3, mcs nAts: 29 [#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-,:;@1)-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6,#7]:&@[#6]2:&@[#6](:&@[#7,#6]:&@1):&@[#6,#7](=,-;!@[#8,#6]):&@[#7,#6](:&@[#6,#7](:&@[#7,#6]:&@2-,=;!@[#6,#8])=,-;!@[#8,#6])-,=;!@[#6,#8] (1535789, 'CHEMBL3707837', 77, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (546 characters truncated) ... [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT.') * postgresql://localhost/chembl_26 Mean nAts 31.7, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (855538, 'CHEMBL2162843', 77, 'Displacement of [3H]-5-CT from human 5-HT7b receptor expressed in HEK293 cells after 1 hr') * postgresql://localhost/chembl_26
RDKit ERROR: [07:45:59] Aromatic bonds on non aromatic atom 16 RDKit INFO: [07:45:59] Aromatic bonds on non aromatic atom 16
Mean nAts 29.1, mcs nAts: 10 [#6]1-,:;@[#6]-,:;@[#6]-,:;@[#7,#6](-,:;@[#6]-,:;@[#6]-,:;@1)-&!@[#6,#8,#16]-&!@[#6,#7]-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (1528852, 'CHEMBL3706025', 77, 'In Vitro Assay: The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kal ... (684 characters truncated) ... absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art.') * postgresql://localhost/chembl_26 Mean nAts 41.7, mcs nAts: 10 [#6,#7,#8]-,=;!@[#8,#6]-&!@[#6]-,=;!@[#7,#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1528054, 'CHEMBL3705361', 77, 'Radioligand Binding Assay: Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM ... (546 characters truncated) ... [3H]-spiperone for D3, and 1.1 nM [3H]-ketanserin for 5-HT2A) and ten concentrations of test compound in ranging between 10 μM-0.1 nM for 1 h at RT.') * postgresql://localhost/chembl_26 Mean nAts 31.7, mcs nAts: 27 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#8]-&@[#6]-&@[#8]-&@2 (743931, 'CHEMBL1767925', 76, 'Inhibition of full-length human FAAH expressed in COS-7 cells assessed as [14C]-labeled oleamide to oleic acid conversion') * postgresql://localhost/chembl_26 Mean nAts 28.2, mcs nAts: 8 [#8,#6]=,-;!@[#6](-,=;!@[#6,#8])-&!@[#6]1-,:;@[#6,#7]-,:;@[#6,#7]:&@[#6]-,:;@[#6,#8]-,:;@1 (1699615, 'CHEMBL4050597', 75, 'Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method') * postgresql://localhost/chembl_26 Mean nAts 73.5, mcs nAts: 44 [#6]-&!@[#6](=,-;!@[#8,#6])-&!@[#7,#6]-&!@[#6](-&!@[#6,#7]-&!@[#6](-,=;!@[#6,#7,#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]-,=;!@[#6,#7,#8,#16])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6,#7])-&!@[#6](-,=;!@[#6,#8])-&!@[#6,#7] (55071, 'CHEMBL668388', 75, 'Inhibitory activity against Lactobacillus casei dihydrofolate reductase (DHFR)') * postgresql://localhost/chembl_26 Mean nAts 22.7, mcs nAts: 16 [#6]-&!@[#6]1(-&!@[#6])-&@[#7]=&@[#6](-&!@[#7])-&@[#7]=&@[#6](-&@[#7]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7] (53631, 'CHEMBL666660', 75, 'Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR)') * postgresql://localhost/chembl_26 Mean nAts 22.7, mcs nAts: 16 [#6]-&!@[#6]1(-&!@[#6])-&@[#7]=&@[#6](-&!@[#7])-&@[#7]=&@[#6](-&@[#7]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7] (634304, 'CHEMBL1120717', 75, 'Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 19 [#6,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1-&!@[#6] (634305, 'CHEMBL1120718', 75, 'Displacement of [3H]N-alpha-methylhistamine from rat cloned histamine H3 receptor') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 19 [#6,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1-&!@[#6] (634306, 'CHEMBL1120719', 75, 'Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 19 [#6,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1-&!@[#6] (1636657, 'CHEMBL3879555', 75, 'Inhibition of human dihydroorotate dehydrogenase assessed as reduction in orotate production using L-dihydroorotate as substrate measured after 20 mins by spectrophotometric method') * postgresql://localhost/chembl_26 Mean nAts 29.0, mcs nAts: 14 [#6]-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6](-&!@[#6](=&!@[#8])-&!@[#8]):&@[#7]:&@[#6](:&@[#7]:&@[#6]:&@1=&!@[#8])=&!@[#8] (303258, 'CHEMBL826384', 75, 'Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 29.7, mcs nAts: 8 [#6,#7,#8,#16]-,=;!@[#7,#8,#16]-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#7,#6]:,-;@[#6]:,-;@[#7,#6]:,-;@1 (513112, 'CHEMBL973601', 75, 'Binding affinity to human MC4 receptor') * postgresql://localhost/chembl_26 Mean nAts 37.4, mcs nAts: 30 [#6]-&!@[#6,#7,#8]-&!@[#6]-&!@[#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#17])-&!@[#17])-&!@[#7]-&!@[#6]-,=;!@[#6,#8] (1699614, 'CHEMBL4050596', 75, 'Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mins by spectrofluorometry method') * postgresql://localhost/chembl_26 Mean nAts 73.5, mcs nAts: 44 [#6]-&!@[#6](=,-;!@[#8,#6])-&!@[#7,#6]-&!@[#6](-&!@[#6,#7]-&!@[#6](-,=;!@[#6,#7,#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]-,=;!@[#6,#7,#8,#16])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#7,#6]-&!@[#6]-&!@[#6]-&!@[#6,#7])-&!@[#6](-,=;!@[#6,#8])-&!@[#6,#7] (1527621, 'CHEMBL3705078', 75, 'Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) ... (254 characters truncated) ... g was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand.') * postgresql://localhost/chembl_26 Mean nAts 24.0, mcs nAts: 16 [#7]-&!@[#6]1=&@[#7]-&@[#6](-&@[#6]-&@[#8]-&@1)-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6]:&@1)-&!@[#7]-&!@[#6] (1528160, 'CHEMBL3705369', 74, 'Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL) was mixed with 20 μM fluorescence enzyme substrate (Boc-Phe-Ser-Arg- ... (144 characters truncated) ... cular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 355 nm and fluorescence wavelength 460 nm.') * postgresql://localhost/chembl_26 Mean nAts 33.8, mcs nAts: 25 [#6]-&!@[#6](-&!@[#6])(-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#16]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#9])-&!@[#6](=&!@[#7])-&!@[#7])-&!@[#6](=,-;!@[#8,#7])-,=;!@[#8,#7] (447824, 'CHEMBL898074', 74, 'Inhibition of human factor 10a') * postgresql://localhost/chembl_26
RDKit ERROR: [07:48:12] Aromatic bonds on non aromatic atom 13 RDKit INFO: [07:48:12] Aromatic bonds on non aromatic atom 13
Mean nAts 32.9, mcs nAts: 11 [#8]=&!@[#6,#16](-&!@[#7,#6]-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7,#6,#8,#17] (1527780, 'CHEMBL3705314', 74, 'Glucagon SPA Assay: The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptors.') * postgresql://localhost/chembl_26 Mean nAts 35.7, mcs nAts: 28 [#6]-&!@[#6](-&!@[#8,#7]-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6](:&@[#6,#7]:&@[#6]:&@1)-&!@[#7,#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]:&@1)-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6]-&!@[#6](=,-;!@[#8])-,=;!@[#8] (1528161, 'CHEMBL3705370', 74, 'Inhibition Assay: Using a 96 well plate (#3915, Costar), a test compound (25 μL), 400 mM Tris-HCl buffer (pH 8.0, 25 μL) and 0.5 mg/mL fluorescence e ... (196 characters truncated) ... cular Devices, Inc.), the reaction rate was measured from the time-course changes at excitation wavelength 320 nm and fluorescence wavelength 405 nm.') * postgresql://localhost/chembl_26 Mean nAts 33.8, mcs nAts: 25 [#6]-&!@[#6](-&!@[#6])(-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#16]:&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#9])-&!@[#6](=&!@[#7])-&!@[#7])-&!@[#6](=,-;!@[#8,#7])-,=;!@[#8,#7] (585133, 'CHEMBL1060022', 74, 'Binding affinity to human recombinant P2Y12 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:48:21] Aromatic bonds on non aromatic atom 8 RDKit INFO: [07:48:21] Aromatic bonds on non aromatic atom 8
Mean nAts 40.3, mcs nAts: 33 [#6]-&!@[#6]-&!@[#6,#8]-&!@[#8,#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6](-&!@[#6]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6](:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1527622, 'CHEMBL3705079', 74, 'Radioligand Binding Assay: The TAAR1 radioligand 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) ... (254 characters truncated) ... g was defined as the amount of 3[H]-(S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine bound in the presence of 10 μM unlabeled ligand.') * postgresql://localhost/chembl_26
RDKit ERROR: [07:48:22] Aromatic bonds on non aromatic atom 21 RDKit INFO: [07:48:22] Aromatic bonds on non aromatic atom 21
Mean nAts 23.9, mcs nAts: 16 [#7]-&!@[#6]1=&@[#7]-&@[#6](-&@[#6]-&@[#8]-&@1)-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6]:&@1)-&!@[#7]-&!@[#6] (371466, 'CHEMBL864183', 74, 'Displacement of [3H]progesterone from Progesterone receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [07:48:23] Aromatic bonds on non aromatic atom 13 RDKit INFO: [07:48:23] Aromatic bonds on non aromatic atom 13
Mean nAts 21.9, mcs nAts: 13 [#6]-&!@[#6]1=,-;@[#6]-&@[#6](-&!@[#6])(-&!@[#6])-&@[#7]-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1528930, 'CHEMBL3705777', 73, 'Radioligand Binding Assay: Radioligand binding assays (screening and dose-displacement) used 0.1 nM [3H]-nociceptin (NEN; 87.7 Ci/mmole) with 10-20 u ... (640 characters truncated) ... quently dried at 50 C. for 2-3 hrs. Fifty L/well scintillation cocktail (BetaScint; Wallac) was added and plates were counted in a Packard Top-Count.') * postgresql://localhost/chembl_26 Mean nAts 36.6, mcs nAts: 17 [#7,#6]=,-;!@[#6]1:,-;@[#7]:,-;@[#6]2:&@[#6](:,-;@[#7]:,-;@1-&!@[#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (458669, 'CHEMBL942952', 73, 'Displacement of [12]NDPMSH from human MC4R expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 39.8, mcs nAts: 32 [#6,#8]-,=;!@[#6,#16]-&!@[#7]-&!@[#6]-&!@[#6]1(-&!@[#7]2-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6](=&!@[#8])-&!@[#6]2-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6,#16](-,=;!@[#6,#7,#8])-,=;!@[#6,#8])-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1 (1536128, 'CHEMBL3707656', 73, "Radioligand Binding Assay: Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor(Genebank accession number NM_001525) or ... (710 characters truncated) ... sence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #1 1836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL.") * postgresql://localhost/chembl_26 Mean nAts 31.1, mcs nAts: 23 [#8,#6,#7,#9]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@1-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1-&!@[#6])-&!@[#7,#8]-&!@[#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7]:&@1 (54734, 'CHEMBL667185', 73, 'Negative logarithm of inhibition constant (-log Ki) against Dihydrofolate reductase in Escherichia coli') * postgresql://localhost/chembl_26
RDKit ERROR: [07:49:56] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:49:56] Aromatic bonds on non aromatic atom 1
Mean nAts 20.0, mcs nAts: 15 [#7,#6]-&!@[#6]1=,:;@[#7,#6]-,:;@[#6]-,:;@[#6](-,:;@[#6](=,:;@[#7,#6]-,:;@1)-&!@[#7,#8])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (320876, 'CHEMBL884801', 73, 'Displacement of [3H]LSD from cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells') * postgresql://localhost/chembl_26 Mean nAts 25.9, mcs nAts: 14 [#8,#6]=,-;!@[#16](=&!@[#8])(-,=;!@[#6,#8])-&!@[#7]1:&@[#6]:&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6] (1522886, 'CHEMBL3630759', 72, 'Antagonist activity at human TRPV1 heterologously expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay') * postgresql://localhost/chembl_26 Mean nAts 35.8, mcs nAts: 29 [#6]-&!@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6]:&@1-&!@[#17,#6,#7,#8,#9,#16])-&!@[#6](-&!@[#9,#6])(-&!@[#9])-&!@[#9])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#9])-&!@[#7]-&!@[#16](-&!@[#6])(=&!@[#8])=&!@[#8] (861906, 'CHEMBL2173634', 72, 'Displacement of [3H](+)pentazocine from human sigma 1 receptor transfected in HEK293 cell membranes after 120 mins by scintillation counter') * postgresql://localhost/chembl_26
RDKit ERROR: [07:50:16] Aromatic bonds on non aromatic atom 11 RDKit INFO: [07:50:16] Aromatic bonds on non aromatic atom 11
Mean nAts 24.4, mcs nAts: 15 [#6,#7]1:&@[#6,#7]:&@[#7,#6](:&@[#7,#6]:&@[#6]:&@1-&!@[#8,#7,#16]-&!@[#6]-&!@[#6]-&!@[#7,#6,#8])-&!@[#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@1 (1644378, 'CHEMBL3993307', 72, 'Inhibition of human beta factor 12a using fluorogenic substrate Boc-Gln-Gly-Arg-AMC preincubated for 10 mins followed by addition of substrate measured every min for 30 mins') * postgresql://localhost/chembl_26
RDKit ERROR: [07:50:17] Aromatic bonds on non aromatic atom 4 RDKit INFO: [07:50:17] Aromatic bonds on non aromatic atom 4
Mean nAts 146.3, mcs nAts: 5 [#6,#7]-,=;!@[#6](-,=;!@[#6,#7,#8])-&!@[#6,#7]-&!@[#6,#7] (54735, 'CHEMBL667186', 72, 'Inhibition constant against binding of Escherichia coli dihydrofolate reductase') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 9 [#7,#6]-&!@[#6]1:,-,=;@[#7,#6]:,-,=;@[#6]:,-;@[#6,#7](:,-;@[#6](:,-,=;@[#7,#6]:,-,=;@1)-&!@[#7,#6,#8])-&!@[#6,#8,#35] (303552, 'CHEMBL828952', 71, 'Inhibitory constant against [3H]methyllycaconitine binding towards Nicotinic acetylcholine receptor alpha-7 of rat brain hippocampus') * postgresql://localhost/chembl_26
RDKit ERROR: [07:50:47] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:50:47] Aromatic bonds on non aromatic atom 1
Mean nAts 27.1, mcs nAts: 14 [#8,#6,#7]=,-;!@[#6,#16](-&!@[#7,#8]-&!@[#6]1-&@[#6]2-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@1-&!@[#6]-&!@[#6,#7])-&@[#6]-&@[#6]-&@2)-,=;!@[#6,#7,#8] (570539, 'CHEMBL1026911', 71, 'Displacement of [3H]CP-55940 from human cloned CB2 receptor by filtration assay') * postgresql://localhost/chembl_26 Mean nAts 26.5, mcs nAts: 15 [#6]-&!@[#6]-&!@[#6]-&!@[#7]1:&@[#6]:&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6](=,-;!@[#8,#6])-,=;!@[#6,#8] (570538, 'CHEMBL1026910', 71, 'Displacement of [3H]CP-55940 from CB1 receptor in rat brain by filtration assay') * postgresql://localhost/chembl_26 Mean nAts 26.5, mcs nAts: 15 [#6]-&!@[#6]-&!@[#6]-&!@[#7]1:&@[#6]:&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6](=,-;!@[#8,#6])-,=;!@[#6,#8] (54926, 'CHEMBL667222', 71, 'Inhibitory activity against Lactobacillus casei dihydrofolate reductase') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 15 [#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#6](:&@[#6](:&@[#7]:&@1)-&!@[#7])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (53614, 'CHEMBL661844', 71, 'Inhibitory activity against chicken liver dihydrofolate reductase') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 15 [#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#6](:&@[#6](:&@[#7]:&@1)-&!@[#7])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (304043, 'CHEMBL877110', 70, 'Inhibition of [3H]mibolerone binding to cytosolic androgen receptor of rat ventral prostate') * postgresql://localhost/chembl_26 Mean nAts 28.1, mcs nAts: 10 [#7,#8]-,=;!@[#6]1:&@[#6,#8]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6,#7,#16](-,=;!@[#9,#6,#8])-,=;!@[#9,#8] (588710, 'CHEMBL1059319', 70, 'Inhibition of human PIM1 by scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [07:50:56] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:50:56] Aromatic bonds on non aromatic atom 1
Mean nAts 24.0, mcs nAts: 17 [#7,#6,#8]-&!@[#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#6](:&@[#7]:&@1)=&!@[#8]):&@[#16]:&@[#6]1:&@[#6]:&@2:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#17,#6,#7,#35] (588709, 'CHEMBL1059318', 70, 'Inhibition of human PIM2 by scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 24.0, mcs nAts: 17 [#7,#6,#8]-&!@[#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#6](:&@[#7]:&@1)=&!@[#8]):&@[#16]:&@[#6]1:&@[#6]:&@2:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#17,#6,#7,#35] (828300, 'CHEMBL2050319', 70, 'Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells') * postgresql://localhost/chembl_26 Mean nAts 19.7, mcs nAts: 12 [#7,#8]-,=;!@[#6](=,-;!@[#8,#7])-&!@[#6]1:&@[#6,#7]:&@[#6]2:&@[#6](:&@[#7,#6,#8,#16]:&@1):&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@2 (605406, 'CHEMBL1073400', 70, 'Displacement of radioligand from human adenosine A1 receptor expressed in cells by topcount microplate scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [07:50:59] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:50:59] Aromatic bonds on non aromatic atom 3
Mean nAts 24.1, mcs nAts: 13 [#8,#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6]):&@[#7,#6]:&@[#6](:&@[#7]:&@1)-&!@[#7,#6] (605405, 'CHEMBL1073399', 70, 'Displacement of radioligand from human adenosine A2A receptor expressed in cells by topcount microplate scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [07:51:05] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:51:05] Aromatic bonds on non aromatic atom 1
Mean nAts 24.1, mcs nAts: 13 [#8,#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]-&!@[#6]):&@[#7,#6]:&@[#6](:&@[#7]:&@1)-&!@[#7,#6] (596087, 'CHEMBL1040875', 69, 'Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:51:10] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:51:10] Aromatic bonds on non aromatic atom 1
Mean nAts 25.2, mcs nAts: 14 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#6]1:&@[#6]:&@[#7](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6]-,=;!@[#6,#8] (596088, 'CHEMBL1040876', 69, 'Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 25.2, mcs nAts: 14 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#6]1:&@[#6]:&@[#7](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6]-,=;!@[#6,#8] (478840, 'CHEMBL925727', 69, 'Displacement of [3H]PGD2 from human CRTH2 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 29.6, mcs nAts: 21 [#6,#8]-&!@[#6]-&!@[#7]1-&@[#6](=&!@[#8])-&@[#6]-&@[#6]2(-&@[#6]-&@1)-&@[#6](=&!@[#8])-&@[#7](-&@[#6]1:&@[#6]-&@2:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#17,#8,#9])-&!@[#6]-&!@[#6]=,-;!@[#8,#6] (934321, 'CHEMBL2320307', 69, 'Displacement of FITC-AHx-KALETLRRVGDGVQRNHETAF-NH2 from human MCl1 (172 to 327) expressed in Escherichia coli BL21 (DE3) after 1 hr by fluorescence polarization anisotropy assay') * postgresql://localhost/chembl_26 Mean nAts 23.0, mcs nAts: 13 [#6,#17]-&!@[#7,#6]1:&@[#6](-&!@[#6](=,-;!@[#8,#7])-,=;!@[#8]):&@[#6,#7,#8,#16]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (212325, 'CHEMBL818251', 68, 'Inhibitory constant against bovine trypsin for general specificity against serine proteases') * postgresql://localhost/chembl_26
RDKit ERROR: [07:52:23] Aromatic bonds on non aromatic atom 7 RDKit INFO: [07:52:23] Aromatic bonds on non aromatic atom 7
Mean nAts 31.5, mcs nAts: 25 [#6]-&!@[#6]1:&@[#6]:&@[#6](-&!@[#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#7,#6,#8]):&@[#7]:&@[#6](:&@[#6]:&@1)-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6,#7,#16](=,-;!@[#7,#6,#8])-,=;!@[#7,#6,#8] (877370, 'CHEMBL2182415', 68, 'Displacement of [3H]epibatidine form human alpha7 nAchR expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 26.2, mcs nAts: 19 [#8,#6]=,-;!@[#6](-&!@[#7]-&!@[#6]1-&@[#6]2-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@1-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@[#6]:&@1)-&@[#6]-&@[#6]-&@2)-,=;!@[#6,#8] (540740, 'CHEMBL1030622', 68, 'Displacement of [125I]nociceptin from human NOP expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 35.2, mcs nAts: 20 [#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#7](-&@[#6]2(-&@[#6]-&@1=&!@[#8])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1572912, 'CHEMBL3801235', 68, 'Antagonist activity at CCR9 receptor in human MOLT4 cells assessed as inhibition of CCL25-induced increase in intracellular calcium level preincubated for 1 hr followed CCL25 addition by FLIPR assay') * postgresql://localhost/chembl_26 Mean nAts 33.7, mcs nAts: 26 [#6]-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]2:&@[#6]:&@1-&@[#6](=&!@[#8])-&@[#7](-&@[#6]-&@2=&!@[#8])-&!@[#6] (304008, 'CHEMBL877109', 68, 'Binding affinity towards Acetylcholinesterase') * postgresql://localhost/chembl_26 Mean nAts 28.1, mcs nAts: 11 [#6,#7,#8,#16]-,=,#;!@[#8,#6,#7]-&!@[#6]1:,-,=;@[#6,#7]:,-;@[#6,#7,#8,#16]-,:;@[#6,#8]-,=,:;@[#6,#7,#8]-,:;@[#16,#6,#7]-,:;@[#6,#7,#8]:,-;@[#6,#8]:,-;@[#6,#7,#16]:,-;@1 (471788, 'CHEMBL939996', 68, 'Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:53:11] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:53:11] Aromatic bonds on non aromatic atom 2
Mean nAts 38.2, mcs nAts: 29 [#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-,:;@1)-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6,#7]:&@[#6]2:&@[#6](:&@[#7,#6]:&@1):&@[#6,#7](=,-;!@[#8,#6]):&@[#7,#6](:&@[#6,#7](:&@[#7,#6]:&@2-,=;!@[#6,#8])=,-;!@[#8,#6])-,=;!@[#6,#8] (960514, 'CHEMBL2389489', 67, 'Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay') * postgresql://localhost/chembl_26 Mean nAts 36.0, mcs nAts: 30 [#6]-&!@[#8]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6](-&!@[#9])(-&!@[#9])-&!@[#9]):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#9])-&!@[#7]-&!@[#16](-&!@[#6])(=&!@[#8])=&!@[#8] (540741, 'CHEMBL1030623', 67, 'Displacement of [125I]diprenorphine from human DOP expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:53:41] Aromatic bonds on non aromatic atom 16 RDKit INFO: [07:53:41] Aromatic bonds on non aromatic atom 16
Mean nAts 35.2, mcs nAts: 20 [#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#7](-&@[#6]2(-&@[#6]-&@1=&!@[#8])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (461138, 'CHEMBL944161', 67, 'Displacement of [3H]raclopride from rat dopamine D2 receptor') * postgresql://localhost/chembl_26 Mean nAts 22.7, mcs nAts: 11 [#6,#8]-,=;!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6]2:&@[#6](:,-;@[#6]:,-;@1)-,:;@[#6]:,-;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]-,:;@2 (479714, 'CHEMBL921474', 67, 'Binding affinity at human adenosine A1 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [07:54:25] Aromatic bonds on non aromatic atom 6 RDKit INFO: [07:54:25] Aromatic bonds on non aromatic atom 6
Mean nAts 23.8, mcs nAts: 17 [#7,#6,#8,#16]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6,#7]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7,#6]:&@[#6,#7]:&@2)-&!@[#6]-,=;!@[#6,#7,#8] (159136, 'CHEMBL769512', 67, 'Inhibitory activity against HIV-1 protease') * postgresql://localhost/chembl_26
RDKit ERROR: [07:54:27] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:54:27] Aromatic bonds on non aromatic atom 1
Mean nAts 38.4, mcs nAts: 28 [#6]-&!@[#6]-&!@[#7]1-&@[#6](=&!@[#8])-&@[#7](-&!@[#6]-&!@[#6])-&@[#6](-&@[#6](-&@[#6](-&@[#6]-&@1-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#8])-&!@[#8])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (540742, 'CHEMBL1030624', 67, 'Displacement of [125I]diprenorphine from human KOP expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 35.2, mcs nAts: 20 [#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#7](-&@[#6]2(-&@[#6]-&@1=&!@[#8])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1653671, 'CHEMBL4003037', 67, "Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDM2 (1 to 118 residues) expressed in Escherichia coli BL21(DE3) measured after 15 mins by fluorescence polarization assay") * postgresql://localhost/chembl_26 Mean nAts 40.2, mcs nAts: 22 [#6]-&!@[#7]-&!@[#6](-&!@[#6]1:&@[#6](-&!@[#6](=,-;!@[#8])-,=;!@[#8]):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#17])-&!@[#6]1:&@[#7]:&@[#7]:&@[#7]:&@[#7]:&@1-&!@[#6] (479713, 'CHEMBL921473', 67, 'Binding affinity at human adenosine A2A receptor') * postgresql://localhost/chembl_26 Mean nAts 23.8, mcs nAts: 17 [#7,#6,#8,#16]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6,#7]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7,#6]:&@[#6,#7]:&@2)-&!@[#6]-,=;!@[#6,#7,#8] (540743, 'CHEMBL1030625', 67, 'Displacement of [125I]diprenorphine from human MOP expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:55:03] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:55:03] Aromatic bonds on non aromatic atom 1
Mean nAts 35.2, mcs nAts: 20 [#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#7](-&@[#6]2(-&@[#6]-&@1=&!@[#8])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1527882, 'CHEMBL3705126', 66, 'Biological Assay: Compound affinity for the rat 5-HT7 receptor subtype was evaluated by competitive radioligand binding assay using 5-carboxamido[H3]typtamine ([3H]5-CT)(Amersham Biosciences) detection.') * postgresql://localhost/chembl_26 Mean nAts 20.6, mcs nAts: 12 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1528915, 'CHEMBL3705621', 66, 'Binding Assay: Receptor binding was performed using membrane fractions prepared from the HEK-293 cell line recombinantly expressing rat 5-HT7 recepto ... (301 characters truncated) ... he assay was performed on the HEK-293 cell line stably transfected with r5-HT7 receptor. Cells were pre-incubated with test compounds for 10 minutes.') * postgresql://localhost/chembl_26 Mean nAts 20.6, mcs nAts: 12 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1688140, 'CHEMBL4038710', 66, 'Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin induced calcium influx pretreated for 6 mins followed by capsaicin addition by Fluo-4/Pluronic F127 probe based FLIPR method') * postgresql://localhost/chembl_26 Mean nAts 34.7, mcs nAts: 29 [#8,#6,#7,#16]-&!@[#6]1:&@[#7,#6]:&@[#6](-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6]):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6](-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#9])-&!@[#7]-&!@[#16](-&!@[#6])(=&!@[#8])=&!@[#8] (466158, 'CHEMBL950162', 66, 'Displacement of [3H]dexamethasone from human recombinant GR') * postgresql://localhost/chembl_26
RDKit ERROR: [07:55:17] Aromatic bonds on non aromatic atom 1 RDKit INFO: [07:55:17] Aromatic bonds on non aromatic atom 1
Mean nAts 36.2, mcs nAts: 28 [#16,#6](-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7,#8]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@1)-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]2-&@[#6](-&@[#6]-&@1)(-&@[#6]-&@[#6]1:&@[#6](-&@[#6]=&@2):&@[#7](:&@[#7]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#9])-&!@[#6] (1653672, 'CHEMBL4003038', 66, "Inhibition of 5'--FAM-LTFEHYWAQLTS peptide binding to N-terminal domain human MDMX (1 to 134 residues) measured after 15 mins by fluorescence polarization assay") * postgresql://localhost/chembl_26 Mean nAts 40.2, mcs nAts: 22 [#6]-&!@[#7]-&!@[#6](-&!@[#6]1:&@[#6](-&!@[#6](=,-;!@[#8])-,=;!@[#8]):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#17])-&!@[#6]1:&@[#7]:&@[#7]:&@[#7]:&@[#7]:&@1-&!@[#6] (1577550, 'CHEMBL3807026', 66, 'Inhibition of human liver cathepsin B using Cbz-Arg-Arg-pNA as substrate at pH 6 incubated for 30 mins measured for 20 mins by photometrical analysis') * postgresql://localhost/chembl_26 Mean nAts 25.8, mcs nAts: 12 [#6,#8]-,=;!@[#6](-&!@[#7]-&!@[#6](=,-;!@[#8,#6])-,=;!@[#8,#6,#7])-&!@[#6](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]-&!@[#6,#8]#,-;!@[#7,#6,#8] (1561630, 'CHEMBL3776607', 65, 'Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counter method') * postgresql://localhost/chembl_26 Mean nAts 33.1, mcs nAts: 25 [#6]-&!@[#7]1:&@[#6](-&!@[#16]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]2-&@[#6]-&@[#6]3-&@[#6](-&@[#6]-&@2)-&@[#7](-&@[#6]-&@[#6]-&@3)-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2):&@[#7]:&@[#7]:&@[#6]:&@1-&!@[#6,#7] (946059, 'CHEMBL2342096', 65, 'Inhibition of human carbonic anhydrase-12') * postgresql://localhost/chembl_26 Mean nAts 24.4, mcs nAts: 16 [#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (946060, 'CHEMBL2342097', 65, 'Inhibition of human carbonic anhydrase-9') * postgresql://localhost/chembl_26 Mean nAts 24.4, mcs nAts: 16 [#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (946061, 'CHEMBL2342098', 65, 'Inhibition of human carbonic anhydrase-2') * postgresql://localhost/chembl_26 Mean nAts 24.4, mcs nAts: 16 [#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (302499, 'CHEMBL828215', 65, 'Binding affinity against bovine trypsin') * postgresql://localhost/chembl_26 Mean nAts 39.5, mcs nAts: 13 [#6,#16]-&!@[#6,#16]-&!@[#6,#7]-&!@[#6](-&!@[#7,#6]-&!@[#6,#16])-&!@[#6](=,-;!@[#8])-&!@[#6,#7]1:,-;@[#7,#6,#16]:,-;@[#6]:,-;@[#6]:,-;@[#16,#6,#7,#8]:,-;@1 (1459806, 'CHEMBL3371192', 65, 'Antagonist activity at human recombinant 5HT6 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 25.9, mcs nAts: 8 [#6,#7,#8,#16]-,=;!@[#7,#6,#8,#16]-&!@[#6]1:,-;@[#6]:,-;@[#6,#8]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#7,#6,#8]:,-;@1 (946062, 'CHEMBL2342099', 65, 'Inhibition of human carbonic anhydrase-1') * postgresql://localhost/chembl_26
RDKit ERROR: [07:56:20] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:56:20] Aromatic bonds on non aromatic atom 2
Mean nAts 24.4, mcs nAts: 16 [#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (429507, 'CHEMBL918630', 65, 'Inhibition of human BChE') * postgresql://localhost/chembl_26 Mean nAts 16.1, mcs nAts: 11 [#8]=&!@[#6]1-&@[#7,#6]-&@[#6]2:&@[#6](-&@[#6,#7]-&@1=,-;!@[#8,#6,#17]):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (429506, 'CHEMBL918629', 65, 'Inhibition of human AChE') * postgresql://localhost/chembl_26 Mean nAts 16.1, mcs nAts: 11 [#8]=&!@[#6]1-&@[#7,#6]-&@[#6]2:&@[#6](-&@[#6,#7]-&@1=,-;!@[#8,#6,#17]):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (429504, 'CHEMBL918627', 65, 'Inhibition of human liver CE1 expressed in sf21 cells') * postgresql://localhost/chembl_26 Mean nAts 16.1, mcs nAts: 11 [#8]=&!@[#6]1-&@[#7,#6]-&@[#6]2:&@[#6](-&@[#6,#7]-&@1=,-;!@[#8,#6,#17]):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (425700, 'CHEMBL913682', 65, 'Displacement of [3H]spiperone from human dopamine D4.4 expressed in CHO cell membrane') * postgresql://localhost/chembl_26
RDKit ERROR: [07:56:20] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:56:20] Aromatic bonds on non aromatic atom 3 RDKit ERROR: [07:56:21] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:56:21] Aromatic bonds on non aromatic atom 3 RDKit ERROR: [07:56:21] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:56:21] Aromatic bonds on non aromatic atom 3
Mean nAts 30.1, mcs nAts: 14 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6] (425699, 'CHEMBL912015', 65, 'Displacement of [3H]spiperone from human dopamine D3 expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 30.1, mcs nAts: 14 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6] (511514, 'CHEMBL980957', 65, 'Displacement of [3H]PK11195 from translocator protein in rat kidney mitochondrial membrane') * postgresql://localhost/chembl_26 Mean nAts 29.2, mcs nAts: 23 [#6]-&!@[#6]-&!@[#7](-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (302753, 'CHEMBL838700', 65, 'Binding affinity against mu opioid receptor in mouse hot plate test') * postgresql://localhost/chembl_26 Mean nAts 33.6, mcs nAts: 23 [#6]-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6](-&!@[#35,#6])=&!@[#6]1-&@[#6]-&@[#6]2-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1)-&@[#7]-&@2-&!@[#6]-&!@[#6] (1528084, 'CHEMBL3705645', 65, 'Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells w ... (714 characters truncated) ... fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer.') * postgresql://localhost/chembl_26 Mean nAts 35.8, mcs nAts: 31 [#6]-,=;!@[#7,#6]-&!@[#8,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#6](=&!@[#8,#16])-&!@[#7]=&!@[#6]1:&@[#16]:&@[#6](:&@[#6]:&@[#7]:&@1-&!@[#6]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6]-&@[#8]-&@1)-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6])-&!@[#6](-&!@[#9])(-&!@[#9])-&!@[#9] (715074, 'CHEMBL1664180', 64, 'Displacement of [3H]NECA from human adenosine A3 receptor expressed in human HeLa cells by liquid scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 26.5, mcs nAts: 12 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6]):&@[#7,#6]:&@[#6](:&@[#7]:&@1)-&!@[#6] (1565814, 'CHEMBL3789421', 64, 'Displacement of FITC-Bak-BH3 peptide probe from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA based competition assay') * postgresql://localhost/chembl_26
RDKit ERROR: [07:56:47] Aromatic bonds on non aromatic atom 4 RDKit INFO: [07:56:47] Aromatic bonds on non aromatic atom 4
Mean nAts 41.8, mcs nAts: 29 [#6]-&!@[#6]1:&@[#6]:&@[#6](-&!@[#8]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]2:&@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#16](-,=;!@[#6,#8])(=&!@[#8])=,-;!@[#8,#6]):&@[#7]:&@[#6]3:&@[#6]:&@2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@3):&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#17])-&!@[#6] (1452896, 'CHEMBL3366212', 64, 'Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 26.6, mcs nAts: 18 [#6,#8]-,=;!@[#7,#6,#8]-&!@[#6,#7]-&!@[#6]1:,=;@[#6,#7]:,-;@[#7,#6]:,=;@[#6](:,-;@[#7,#6]2:,-;@[#6,#7]:,-;@1:,=;@[#7,#6]:,-;@[#6](:,=;@[#7,#6]:,-;@2)-&!@[#6]1:,=;@[#6]:,-;@[#6]:,=;@[#6]:,-;@[#8,#6]:,-;@1)-&!@[#7,#6,#16] (1452898, 'CHEMBL3366214', 64, 'Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity') * postgresql://localhost/chembl_26
RDKit ERROR: [07:57:06] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:57:06] Aromatic bonds on non aromatic atom 3
Mean nAts 26.6, mcs nAts: 18 [#6,#8]-,=;!@[#7,#6,#8]-&!@[#6,#7]-&!@[#6]1:,=;@[#6,#7]:,-;@[#7,#6]:,=;@[#6](:,-;@[#7,#6]2:,-;@[#6,#7]:,-;@1:,=;@[#7,#6]:,-;@[#6](:,=;@[#7,#6]:,-;@2)-&!@[#6]1:,=;@[#6]:,-;@[#6]:,=;@[#6]:,-;@[#8,#6]:,-;@1)-&!@[#7,#6,#16] (1452895, 'CHEMBL3366211', 64, 'Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:57:06] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:57:06] Aromatic bonds on non aromatic atom 3
Mean nAts 26.6, mcs nAts: 18 [#6,#8]-,=;!@[#7,#6,#8]-&!@[#6,#7]-&!@[#6]1:,=;@[#6,#7]:,-;@[#7,#6]:,=;@[#6](:,-;@[#7,#6]2:,-;@[#6,#7]:,-;@1:,=;@[#7,#6]:,-;@[#6](:,=;@[#7,#6]:,-;@2)-&!@[#6]1:,=;@[#6]:,-;@[#6]:,=;@[#6]:,-;@[#8,#6]:,-;@1)-&!@[#7,#6,#16] (1452897, 'CHEMBL3366213', 64, 'Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:57:06] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:57:06] Aromatic bonds on non aromatic atom 3
Mean nAts 26.6, mcs nAts: 18 [#6,#8]-,=;!@[#7,#6,#8]-&!@[#6,#7]-&!@[#6]1:,=;@[#6,#7]:,-;@[#7,#6]:,=;@[#6](:,-;@[#7,#6]2:,-;@[#6,#7]:,-;@1:,=;@[#7,#6]:,-;@[#6](:,=;@[#7,#6]:,-;@2)-&!@[#6]1:,=;@[#6]:,-;@[#6]:,=;@[#6]:,-;@[#8,#6]:,-;@1)-&!@[#7,#6,#16] (1528243, 'CHEMBL3706217', 64, 'Radioligand Binding Assay: HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells w ... (714 characters truncated) ... fatty acid free BSA, pH 7.4). After 90 min incubation at 30 C., binding reaction was terminated by the addition of 300 uL/well of cold assay buffer.') * postgresql://localhost/chembl_26
RDKit ERROR: [07:57:06] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:57:06] Aromatic bonds on non aromatic atom 3
Mean nAts 33.8, mcs nAts: 25 [#6]-&!@[#6]-&!@[#7]1:&@[#7]:&@[#6](:&@[#16,#6]:&@[#6]:&@1=&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6](-&!@[#6]-,#;!@[#9,#7]):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#8,#7]-,=;!@[#7]-,=;!@[#6])-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6] (393314, 'CHEMBL911524', 63, 'Displacement of [3H]methylspiperone from dopamine D2 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [07:57:16] Aromatic bonds on non aromatic atom 2 RDKit INFO: [07:57:16] Aromatic bonds on non aromatic atom 2
Mean nAts 35.3, mcs nAts: 22 [#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1=&@[#7]-&@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2-&@[#7]-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (685143, 'CHEMBL1286959', 63, 'Inhibition of human NOX4 overexpressed in human PMN cell membrane assessed as ROS production by cell free assay in presence of NADPH') * postgresql://localhost/chembl_26 Mean nAts 28.4, mcs nAts: 14 [#6]-&!@[#6]1:&@[#6]2:&@[#6](=&!@[#8]):&@[#7](:&@[#7]:&@[#6]:&@2:&@[#6]:&@[#6](:&@[#7]:&@1-&!@[#6,#7])=&!@[#8])-&!@[#6] (728369, 'CHEMBL1685145', 63, 'Displacement of [3H]Lu AE93103 from human NK3 receptor expressed in BHK cells') * postgresql://localhost/chembl_26 Mean nAts 39.6, mcs nAts: 24 [#6]-&!@[#7](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#6]1(-&!@[#6])-&@[#6]-&@[#6]-&@1-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6](-&@[#6]-&@[#6]-&@1)-&!@[#16,#6,#7]=,-;!@[#8,#6,#16] (425703, 'CHEMBL913685', 63, 'Binding affinity to dopamine D2') * postgresql://localhost/chembl_26 Mean nAts 30.0, mcs nAts: 14 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6] (393313, 'CHEMBL911523', 63, 'Displacement of [3H]SCH 23390 from dopamine D1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 35.3, mcs nAts: 22 [#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1=&@[#7]-&@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2-&@[#7]-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (864185, 'CHEMBL2175134', 63, 'Displacement of [33P]2-MeS-ADP from human recombinant P2Y12 receptor expressed in CHO cell membranes by scintillation counting method') * postgresql://localhost/chembl_26 Mean nAts 47.3, mcs nAts: 25 [#6,#7]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6](:&@[#7](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)=,-;!@[#8] (458068, 'CHEMBL925405', 62, 'Displacement of [125I]Tyr-o-CRF from CRF1 receptor in IMR32 cells') * postgresql://localhost/chembl_26 Mean nAts 29.0, mcs nAts: 17 [#6]-&!@[#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6]):&@[#6](:&@[#7]:&@[#6]:&@1-&!@[#6])-&!@[#8,#7]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6]:&@[#7,#6]:&@1 (1342911, 'CHEMBL3259186', 62, 'Competitive reversible inhibition of bovine thrombin using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 40 mins by Michaelis-Menten plot analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [07:59:05] Aromatic bonds on non aromatic atom 11 RDKit INFO: [07:59:05] Aromatic bonds on non aromatic atom 11
Mean nAts 24.7, mcs nAts: 12 [#7]=,-;!@[#6](-,=;!@[#7,#8])-&!@[#6]1:&@[#6]:&@[#6,#7]:,-;@[#6,#7,#8]:,-,=;@[#16,#6,#7,#8]:,-,=;@[#6,#7,#8,#16]:,-;@[#6,#7,#8,#16]:,-;@[#6,#7]:&@[#6,#16]:&@1 (333106, 'CHEMBL853597', 62, 'Inhibition of FKBP12 rotamase activity') * postgresql://localhost/chembl_26
RDKit ERROR: [07:59:06] Aromatic bonds on non aromatic atom 3 RDKit INFO: [07:59:06] Aromatic bonds on non aromatic atom 3
Mean nAts 34.7, mcs nAts: 21 [#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1)-&@[#6]-&@[#6]-&@[#7]1-&@[#6]-&@2-&@[#6]2-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#7]-&@2-&!@[#16,#6](=,-;!@[#8,#6])-,=;!@[#7,#6,#8])-&@[#6]-&@1=&!@[#8] (1561631, 'CHEMBL3776608', 62, 'Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes after 120 mins by liquid scintillation counter method') * postgresql://localhost/chembl_26 Mean nAts 33.1, mcs nAts: 25 [#6]-&!@[#7]1:&@[#6](-&!@[#16]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]2-&@[#6]-&@[#6]3-&@[#6](-&@[#6]-&@2)-&@[#7](-&@[#6]-&@[#6]-&@3)-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2):&@[#7]:&@[#7]:&@[#6]:&@1-&!@[#6,#7] (664672, 'CHEMBL1260558', 62, 'Displacement of [3H]-Spiperone from human dopamine D2L receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 31.5, mcs nAts: 21 [#6,#8]1:,-;@[#6,#8]:,-;@[#6,#8]:,-;@[#6]2:&@[#6](:,-;@[#6]:,-;@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#8,#6]-&!@[#6,#8] (664673, 'CHEMBL1260559', 62, 'Binding affinity to human 5HT2A receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:00:10] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:00:10] Aromatic bonds on non aromatic atom 5
Mean nAts 31.5, mcs nAts: 21 [#6,#8]1:,-;@[#6,#8]:,-;@[#6,#8]:,-;@[#6]2:&@[#6](:,-;@[#6]:,-;@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#8,#6]-&!@[#6,#8] (302621, 'CHEMBL838818', 62, 'Binding affinity determined against human alpha thrombin') * postgresql://localhost/chembl_26
RDKit ERROR: [08:00:18] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:00:18] Aromatic bonds on non aromatic atom 5
Mean nAts 39.8, mcs nAts: 16 [#7,#6,#8]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]=,-;!@[#8,#6])-&!@[#6] (878513, 'CHEMBL2188178', 62, 'Displacement of [3H]NECA from human adenosine A3 receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 25.3, mcs nAts: 20 [#6,#8]-&!@[#7,#8]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#7]:&@[#7](:&@[#6]:&@[#6]:&@2:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1)-&!@[#6] (878514, 'CHEMBL2188179', 62, 'Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 25.3, mcs nAts: 20 [#6,#8]-&!@[#7,#8]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#7]:&@[#7](:&@[#6]:&@[#6]:&@2:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1)-&!@[#6] (878515, 'CHEMBL2188180', 62, 'Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 25.3, mcs nAts: 20 [#6,#8]-&!@[#7,#8]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#7]:&@[#7](:&@[#6]:&@[#6]:&@2:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1)-&!@[#6] (544730, 'CHEMBL1010168', 61, 'Binding affinity to human coagulation factor 10a') * postgresql://localhost/chembl_26 Mean nAts 36.9, mcs nAts: 30 [#7,#6]-&!@[#6]1(-&!@[#6]2:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@2)-&!@[#7]2-&@[#6]-&@[#6]-&@[#6]3:,-;@[#6](-&@[#6]-&@2=&!@[#8]):,-;@[#7](:,-;@[#7]:,=;@[#6]:,-;@3-&!@[#6,#16]#,-;!@[#7,#6,#9])-&!@[#6]2:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@2)-&!@[#8]-&!@[#6])-&@[#6]-&@[#6]-&@1 (303291, 'CHEMBL828284', 61, 'Inhibition constant against human liver carboxylesterase 1 (hCE1) using nitrophenyl acetate (o-NPA) as substrate') * postgresql://localhost/chembl_26 Mean nAts 16.3, mcs nAts: 7 [#8,#6,#7,#16]=,-;!@[#6]1-,=,:;@[#6,#7]-,=,:;@[#6]-,=,:;@[#6]-,:;@[#6,#7,#8]-,=,:;@[#6]-,:;@1 (303460, 'CHEMBL839720', 61, 'Binding affinity towards metabotropic glutamate receptor 2 of rat expressed in CHO cells was determined by using [3H]MGS-0008') * postgresql://localhost/chembl_26 Mean nAts 24.2, mcs nAts: 17 [#6]-&!@[#6]-&!@[#8]-&!@[#6]1-&@[#6]-&@[#6]2-&@[#6](-&@[#6]-&@1(-&!@[#7])-&!@[#6](=&!@[#8])-&!@[#8])-&@[#6]-&@2(-&!@[#9])-&!@[#6](=&!@[#8])-&!@[#8] (303366, 'CHEMBL839684', 61, 'Inhibition constant against human intestinal carboxylesterase 2 (hiCE) using nitrophenyl acetate (o-NPA) as substrate') * postgresql://localhost/chembl_26 Mean nAts 16.3, mcs nAts: 7 [#8,#6,#7,#16]=,-;!@[#6]1-,=,:;@[#6,#7]-,=,:;@[#6]-,=,:;@[#6]-,:;@[#6,#7,#8]-,=,:;@[#6]-,:;@1 (613511, 'CHEMBL1072277', 61, 'Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells') * postgresql://localhost/chembl_26 Mean nAts 26.0, mcs nAts: 19 [#6]-&!@[#7,#8]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#7]2-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@2)-&!@[#6]):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (303261, 'CHEMBL828256', 61, 'Inhibition constant against rabbit liver carboxylesterase (rCE) using nitrophenyl acetate (o-NPA) as substrate') * postgresql://localhost/chembl_26 Mean nAts 16.3, mcs nAts: 7 [#8,#6,#7,#16]=,-;!@[#6]1-,=,:;@[#6,#7]-,=,:;@[#6]-,=,:;@[#6]-,:;@[#6,#7,#8]-,=,:;@[#6]-,:;@1 (303260, 'CHEMBL828255', 61, 'Inhibition constant against human Butyrylcholinesterase (hBuChE) using butyrylthiocholine (BuTCh) as substrate') * postgresql://localhost/chembl_26 Mean nAts 16.3, mcs nAts: 7 [#8,#6,#7,#16]=,-;!@[#6]1-,=,:;@[#6,#7]-,=,:;@[#6]-,=,:;@[#6]-,:;@[#6,#7,#8]-,=,:;@[#6]-,:;@1 (1436945, 'CHEMBL3388443', 61, 'Inhibition of human IDH1 R132H mutant expressed in Escherichia coli BL21-CodonPlus assessed as reduction in NADPH consumption') * postgresql://localhost/chembl_26 Mean nAts 17.5, mcs nAts: 9 [#8,#6]=,-;!@[#6,#7,#8]-&!@[#6,#7]1:,-;@[#6,#7,#8]:,=;@[#6]:,-;@[#6,#7]:,-;@[#7,#6](:,-;@[#6,#7,#8]:,=;@1)-,=;!@[#8,#6,#9,#16] (303216, 'CHEMBL829841', 61, 'Inhibition constant against human Acetylcholinesterase (hAcChE) using acetylthiocholine (AcTCh) as substrate') * postgresql://localhost/chembl_26 Mean nAts 16.3, mcs nAts: 7 [#8,#6,#7,#16]=,-;!@[#6]1-,=,:;@[#6,#7]-,=,:;@[#6]-,=,:;@[#6]-,:;@[#6,#7,#8]-,=,:;@[#6]-,:;@1 (556996, 'CHEMBL958182', 61, 'Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells') * postgresql://localhost/chembl_26 Mean nAts 23.6, mcs nAts: 11 [#7,#17]-&!@[#6]1:&@[#7,#6]:&@[#6,#7]:&@[#6]2:&@[#6](:&@[#7,#6]:&@1):&@[#6]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@2 (745548, 'CHEMBL1775865', 61, 'Inhibition of human PI3Kalpha expressed in Sf9 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:00:54] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:00:54] Aromatic bonds on non aromatic atom 1
Mean nAts 29.3, mcs nAts: 21 [#6,#16]-&!@[#16,#6,#7,#8]-&!@[#6]1:&@[#7,#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1):&@[#16]:&@[#6](:&@[#7]:&@2)-&!@[#7]-&!@[#6](-&!@[#6])=&!@[#8] (664675, 'CHEMBL1260561', 61, 'Binding affinity to human 5HT1A receptor expressed in HeLa cells by scintillation proximity assay') * postgresql://localhost/chembl_26
RDKit ERROR: [08:01:02] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:01:02] Aromatic bonds on non aromatic atom 2
Mean nAts 31.5, mcs nAts: 21 [#6,#8]1:,-;@[#6,#8]:,-;@[#6,#8]:,-;@[#6]2:&@[#6](:,-;@[#6]:,-;@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#8,#6]-&!@[#6,#8] (464863, 'CHEMBL930580', 60, 'Binding affinity at rat recombinant histamine H3 receptor in rat cortical membranes') * postgresql://localhost/chembl_26 Mean nAts 15.9, mcs nAts: 8 [#6,#8]1:,-;@[#6,#7]:,-;@[#16,#6,#7]:,-;@[#6,#7](:,-;@[#6,#7]:,-;@1)-&!@[#6]-&!@[#6]-&!@[#7,#6]
RDKit ERROR: [08:01:06] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:01:06] Aromatic bonds on non aromatic atom 5
(635026, 'CHEMBL1118577', 60, 'Displacement of [125I] Tyr-o-CRF from human CRF[125I]receptor expressed in human IMR-3[125I]cells after 100 mins') * postgresql://localhost/chembl_26 Mean nAts 32.8, mcs nAts: 24 [#7]-&!@[#6]-&!@[#6]1:&@[#6](-&!@[#6](-&!@[#9])(-&!@[#9])-&!@[#9]):&@[#7]:&@[#6]2:&@[#7]:&@1:&@[#6]:&@[#6](:&@[#7]:&@2-&!@[#6]1:&@[#6](-&!@[#6]):&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#6,#17])-&!@[#6])-&!@[#17] (635521, 'CHEMBL1118104', 60, 'Displacement of [3H]LSD form human recombinant 5HT6 receptor') * postgresql://localhost/chembl_26 Mean nAts 25.4, mcs nAts: 16 [#7,#6]-,=;!@[#6]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#16](=,-;!@[#8,#6])(=&!@[#8])-,=;!@[#6,#8] (641177, 'CHEMBL1174684', 60, 'Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane') * postgresql://localhost/chembl_26 Mean nAts 25.1, mcs nAts: 9 [#6,#7,#8]-,=,#;!@[#6,#7,#8]-&!@[#6]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6,#8]-,:;@1 (158035, 'CHEMBL768259', 60, 'Inhibitory activity against HIV-1 protease') * postgresql://localhost/chembl_26 Mean nAts 40.3, mcs nAts: 30 [#8]=&!@[#6]1-&@[#7]-&@[#6](-&!@[#6]-,=;!@[#6]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&@[#6](-&@[#6](-&@[#7]-&@1-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#8] (1556442, 'CHEMBL3772473', 60, 'Inhibition of recombinant full lenght human PDE4A using fluorescent labeled cAMP as substrate after 15 mins by IMAP assay') * postgresql://localhost/chembl_26 Mean nAts 36.1, mcs nAts: 20 [#6,#8]-,=;!@[#7,#6]1-&@[#6]-,:;@[#6]=,:;@[#6,#7](-&!@[#7,#6,#8,#16]-&!@[#6]2:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@2)-,:;@[#7]-,:;@[#7,#6]-,:;@[#6,#7]-&@[#7,#6]-&@[#6]-&@[#6,#7]-,=;@[#7,#6]=,-;@[#6,#7]-&@1 (325792, 'CHEMBL862698', 60, 'Inhibitory constant against rabbit cathepsin K using Z-Phe-Arg-AMC substrate') * postgresql://localhost/chembl_26 Mean nAts 29.9, mcs nAts: 14 [#6,#7](-&!@[#7,#6]-&!@[#6]-&!@[#8,#6,#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#7,#6]-,#;!@[#6,#7] (464862, 'CHEMBL930579', 60, 'Binding affinity at human recombinant histamine H3 receptor expressed in HEK cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:02:35] Aromatic bonds on non aromatic atom 11 RDKit INFO: [08:02:35] Aromatic bonds on non aromatic atom 11
Mean nAts 15.9, mcs nAts: 8 [#6,#8]1:,-;@[#6,#7]:,-;@[#16,#6,#7]:,-;@[#6,#7](:,-;@[#6,#7]:,-;@1)-&!@[#6]-&!@[#6]-&!@[#7,#6] (856937, 'CHEMBL2160580', 60, 'Inhibition of human thrombin using fluorogenic Cbz-Gly-Gly-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry') * postgresql://localhost/chembl_26 Mean nAts 33.5, mcs nAts: 11 [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]-&!@[#6] (325793, 'CHEMBL862699', 60, 'Inhibitory constant against human cathepsin B using Boc-Leu-Lys-Arg-AMC substrate') * postgresql://localhost/chembl_26 Mean nAts 29.9, mcs nAts: 14 [#6,#7](-&!@[#7,#6]-&!@[#6]-&!@[#8,#6,#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#7,#6]-,#;!@[#6,#7] (325794, 'CHEMBL862700', 60, 'Inhibitory constant against human cathepsin L using Z-Phe-Arg-AMC substrate') * postgresql://localhost/chembl_26 Mean nAts 29.9, mcs nAts: 14 [#6,#7](-&!@[#7,#6]-&!@[#6]-&!@[#8,#6,#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#7,#6]-,#;!@[#6,#7] (872705, 'CHEMBL2184685', 60, 'Displacement of [3H]epibatidine from human alpha7 nAChR expressed in CHO cells after 2 hrs by liquid scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 16.1, mcs nAts: 5 [#7,#6]1-,:;@[#6,#7,#8]-,:;@[#6,#7,#8]-,:;@[#6,#7,#8]-,:;@[#6,#7,#8]-,:;@1 (375257, 'CHEMBL867484', 60, 'Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 27.5, mcs nAts: 9 [#8,#6,#7]=,-;!@[#6,#8,#16]-&!@[#7,#6]-&!@[#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@1 (936414, 'CHEMBL2317407', 60, 'Displacement of [3H]NMS from human M5 muscarinic receptor expressed in CHO-K1 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:02:36] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:02:36] Aromatic bonds on non aromatic atom 3
Mean nAts 27.8, mcs nAts: 18 [#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](=&@[#6](-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6]-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (936415, 'CHEMBL2317408', 60, 'Displacement of [3H]NMS from human M1 muscarinic receptor expressed in CHO-K1 cells') * postgresql://localhost/chembl_26 Mean nAts 27.8, mcs nAts: 18 [#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6](=&@[#6](-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#8]-&!@[#6]-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (325795, 'CHEMBL862701', 60, 'Inhibitory constant against human cathepsin S using Z-Val-Val-Arg-AMC substrate') * postgresql://localhost/chembl_26 Mean nAts 29.9, mcs nAts: 14 [#6,#7](-&!@[#7,#6]-&!@[#6]-&!@[#8,#6,#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#7,#6]-,#;!@[#6,#7] (425772, 'CHEMBL855762', 60, 'Binding affinity to human CCR8 expressed in L1.2 cells by FMAT assay') * postgresql://localhost/chembl_26 Mean nAts 34.0, mcs nAts: 20 [#7,#6,#8]-,=;!@[#16,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#7,#6,#8,#16]-&!@[#6,#7]-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@1 (1527911, 'CHEMBL3705162', 60, 'Binding Assay: Binding assay using Bradykinin-1 receptor.') * postgresql://localhost/chembl_26
RDKit ERROR: [08:02:48] Aromatic bonds on non aromatic atom 19 RDKit INFO: [08:02:48] Aromatic bonds on non aromatic atom 19
Mean nAts 36.7, mcs nAts: 20 [#6]-&!@[#6,#7]1:&@[#7]:&@[#6](:&@[#7]:&@[#8,#7]:&@1)-&!@[#6]1:&@[#6](-&!@[#9]):&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6]:&@1)-&!@[#17] (364154, 'CHEMBL870844', 60, 'Displacement of [3H]ZM241385 from human adenosine A2b receptor expressed in HEK cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:03:19] Aromatic bonds on non aromatic atom 18 RDKit INFO: [08:03:19] Aromatic bonds on non aromatic atom 18
Mean nAts 29.9, mcs nAts: 20 [#6]-&!@[#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#7]:&@[#6](:&@[#7]:&@[#6]:&@2:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]-&!@[#6])-&!@[#6,#7]1-,:;@[#6]-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6,#7]-,:;@1 (982934, 'CHEMBL2429574', 59, 'Displacement of [3H]PSB-13253 from human recombinant GPR35 exprssed in CHO cells by liquid scintillation counting analysis') * postgresql://localhost/chembl_26 Mean nAts 24.8, mcs nAts: 9 [#8,#6,#7]=,-;!@[#6,#7,#8,#16]-&!@[#6]1:&@[#6]:&@[#6](=,-;!@[#8,#6,#7,#9,#17,#35]):&@[#6]:&@[#6]:&@[#7,#6,#8]:&@1 (1342913, 'CHEMBL3259188', 59, 'Competitive reversible inhibition of porcine pancreatic kallikrein using alpha-N-benzoyl-DL-arginine-p-nitroanilide hydrochloride as substrate after 15 to 180 mins by Michaelis-Menten plot analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [08:03:20] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:03:20] Aromatic bonds on non aromatic atom 2
Mean nAts 24.4, mcs nAts: 11 [#7,#6]=,-;!@[#6,#7]-,=;!@[#6]1:,-;@[#6,#7]:,=;@[#6,#7]:,-;@[#6,#7,#8]:,-,=;@[#16,#6,#7,#8]:,-,=;@[#6,#7,#8,#16]:,-;@[#6,#7,#8,#16]:,-;@[#6,#7]:&@[#6,#7,#16]:,-;@1 (448200, 'CHEMBL898460', 59, 'Displacement of [125I]His5,D-Tyr6]GnRH from human cloned GnRH receptor transfected in COS7 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:03:21] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:03:21] Aromatic bonds on non aromatic atom 2
Mean nAts 40.9, mcs nAts: 22 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]-&!@[#6]1:&@[#6](-&!@[#9]):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#9,#6])-&@[#6]-&@[#7,#6]-&@[#6,#7]-&@[#6]-&@2 (397859, 'CHEMBL856320', 59, 'Displacement of [125I]NDP-MSH from human MC4R stably expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:03:41] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:03:41] Aromatic bonds on non aromatic atom 1
Mean nAts 33.6, mcs nAts: 23 [#6]-&!@[#6](-&!@[#6])-&!@[#6]-&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6](-&!@[#6,#9,#17]):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#6,#7,#8,#16] (1437207, 'CHEMBL3382981', 59, 'Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in Dunkin Hartley guinea pig brain membranes after 180 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26 Mean nAts 24.4, mcs nAts: 17 [#6]1:&@[#6]:&@[#6](-&!@[#8]-&!@[#6]-&!@[#6]-,=;!@[#6,#8]-&!@[#7,#6]):&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1278707, 'CHEMBL3096081', 59, 'Displacement of [3H]PSB-603 from human adenosine A2B receptor') * postgresql://localhost/chembl_26 Mean nAts 28.6, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (1278706, 'CHEMBL3096080', 59, 'Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatum') * postgresql://localhost/chembl_26 Mean nAts 28.6, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (1527697, 'CHEMBL3705226', 59, 'Radioligand Binding Assay: The CRTH2 receptor binding assay is performed in a scintillation proximity assay (SPA) format with the radioligand [3H]-PG ... (713 characters truncated) ... of 1 nM (50 000 dpm) and 20 uL of the test compound (dissolved in dimethylsulfoxide). The SPA assay mixture is incubated for 3 h at room temperature.') * postgresql://localhost/chembl_26 Mean nAts 32.8, mcs nAts: 30 [#6]-&!@[#6]1:&@[#7]:&@[#7](:&@[#6](:&@[#6]:&@1-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6,#7,#8,#16]:&@[#6]2:&@[#6](:&@[#7,#6,#8,#16]:&@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (1278703, 'CHEMBL3096077', 59, 'Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:04:16] Aromatic bonds on non aromatic atom 21 RDKit INFO: [08:04:16] Aromatic bonds on non aromatic atom 21
Mean nAts 28.6, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (1278708, 'CHEMBL3096082', 59, 'Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 28.6, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (1278709, 'CHEMBL3096083', 59, 'Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex') * postgresql://localhost/chembl_26 Mean nAts 28.6, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (629414, 'CHEMBL1105767', 59, 'Binding affinity to human histamine H3 receptor') * postgresql://localhost/chembl_26 Mean nAts 27.4, mcs nAts: 16 [#7]1-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@1)-&!@[#8,#6]-&!@[#6] (398818, 'CHEMBL908038', 59, 'Binding affinity to human MCHR1') * postgresql://localhost/chembl_26 Mean nAts 40.1, mcs nAts: 27 [#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1)-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@2)-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#17,#6,#9] (1535209, 'CHEMBL3707811', 58, 'Biological Assay: Biological assay using monoamine oxidase or LSD1.') * postgresql://localhost/chembl_26 Mean nAts 24.5, mcs nAts: 14 [#7,#8]-,=;!@[#6](=,-;!@[#8,#7])-&!@[#6]-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (621604, 'CHEMBL1113036', 58, 'Displacement of SST14 from human recombinant SST3 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:08] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:05:08] Aromatic bonds on non aromatic atom 0
Mean nAts 30.7, mcs nAts: 17 [#6,#7]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#7,#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#16,#7,#8]:&@1):&@[#6,#7]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@2 (621603, 'CHEMBL1113035', 58, 'Displacement of SST14 from human recombinant SST2 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:10] Aromatic bonds on non aromatic atom 8 RDKit INFO: [08:05:10] Aromatic bonds on non aromatic atom 8
Mean nAts 30.7, mcs nAts: 17 [#6,#7]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#7,#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#16,#7,#8]:&@1):&@[#6,#7]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@2 (1280134, 'CHEMBL3097705', 58, 'Displacement of [3H]methyllycaconitine from alpha7 nAChR in Sprague-Dawley rat forebrain P2 fraction after 90 mins by liquid scintillation counting analysis') * postgresql://localhost/chembl_26 Mean nAts 23.6, mcs nAts: 12 [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6,#7])-&!@[#7]1-&@[#6]-&@[#6]2-&@[#6]-&@[#6](-&@[#6]-&@1)-&@[#6]-&@[#7]-&@[#6]-&@2 (1527788, 'CHEMBL3705322', 58, 'Biological Assay: Biological assay using monoamine oxidase or LSD1.') * postgresql://localhost/chembl_26 Mean nAts 24.5, mcs nAts: 14 [#7,#8]-,=;!@[#6](=,-;!@[#8,#7])-&!@[#6]-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (446257, 'CHEMBL895361', 58, 'Displacement of [125I]neurokinin A from human recombinant NK2 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:11] Aromatic bonds on non aromatic atom 8 RDKit INFO: [08:05:11] Aromatic bonds on non aromatic atom 8
Mean nAts 42.3, mcs nAts: 24 [#8,#6,#7,#16]=,-;!@[#6](-&!@[#7]-&!@[#6]1(-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6])-&@[#6]-&@[#6]-,=;@[#6]-&@[#6]-&@1)-,=;!@[#6,#7,#8] (621599, 'CHEMBL1113031', 58, 'Displacement of SST14 from human recombinant SST5 receptor expressed in CHO cells by radioligand binding assay') * postgresql://localhost/chembl_26 Mean nAts 30.7, mcs nAts: 17 [#6,#7]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#7,#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#16,#7,#8]:&@1):&@[#6,#7]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@2 (1785273, 'CHEMBL4256790', 58, 'Binding affinity to N-terminal 6x-His-SUMO tagged WDR5 delta23 deletion mutant (24 to 334 residues) (unknown origin) expressed in Escherichia coli BL21 (DE3) in presence of FITC-MLL peptide by FPA assay') * postgresql://localhost/chembl_26 Mean nAts 25.5, mcs nAts: 14 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#7]2:&@[#6](:&@[#7]:&@1)-&@[#6,#16]-&@[#6]-&@[#6]-&@2 (560532, 'CHEMBL1021382', 58, 'Displacement of radioligand from human recombinant adenosine A2A receptor at 21 degC after 90 mins by cell-based microplate scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:17] Aromatic bonds on non aromatic atom 8 RDKit INFO: [08:05:17] Aromatic bonds on non aromatic atom 8 RDKit ERROR: [08:05:17] Aromatic bonds on non aromatic atom 6 RDKit INFO: [08:05:17] Aromatic bonds on non aromatic atom 6
Mean nAts 23.3, mcs nAts: 17 [#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6]2:&@[#6,#7,#16]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7]:&@[#7]:&@2)-&!@[#6]-&!@[#6] (931327, 'CHEMBL3069984', 58, 'Binding affinity to acetylcholinesterase (unknown origin)') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:22] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:05:22] Aromatic bonds on non aromatic atom 4
Mean nAts 28.2, mcs nAts: 8 [#6,#7,#8,#9]-,=;!@[#8,#6,#7,#16]-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#6]:,-;@1 (560533, 'CHEMBL1021383', 58, 'Displacement of radioligand from human recombinant adenosine A1 receptor at 21 degC after 90 mins by cell-based microplate scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:22] Aromatic bonds on non aromatic atom 7 RDKit INFO: [08:05:22] Aromatic bonds on non aromatic atom 7
Mean nAts 23.3, mcs nAts: 17 [#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6]2:&@[#6,#7,#16]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7]:&@[#7]:&@2)-&!@[#6]-&!@[#6] (355136, 'CHEMBL853189', 58, 'Displacement of [3H]nisoxetine from NET') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:27] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:05:27] Aromatic bonds on non aromatic atom 4
Mean nAts 30.1, mcs nAts: 16 [#6]-&!@[#6]-&!@[#7](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@1 (621605, 'CHEMBL1113037', 58, 'Displacement of SST14 from human recombinant SST4 receptor') * postgresql://localhost/chembl_26 Mean nAts 30.7, mcs nAts: 17 [#6,#7]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#7,#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#16,#7,#8]:&@1):&@[#6,#7]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@2 (443964, 'CHEMBL892111', 57, 'Displacement of [125I][Tyr14]nociceptin FQ from human NOP receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 28.7, mcs nAts: 21 [#6,#8]-&!@[#6]1(-&!@[#8,#6])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1278712, 'CHEMBL3096086', 57, 'Displacement of [3H]MSX-2 from human adenosine A2A receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:29] Aromatic bonds on non aromatic atom 8 RDKit INFO: [08:05:29] Aromatic bonds on non aromatic atom 8
Mean nAts 28.7, mcs nAts: 18 [#6]-&!@[#7]1:&@[#6](=&!@[#8]):&@[#6]2:&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]):&@[#7]:&@[#6]1:&@[#7]:&@2-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6] (860488, 'CHEMBL2166657', 57, 'Inhibition of human N-terminal poly-His tagged-PI3Kalpha expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay') * postgresql://localhost/chembl_26 Mean nAts 27.5, mcs nAts: 20 [#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7,#6]:&@[#6]:&@2-&!@[#7,#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@2):&@[#7,#6]:&@[#6]:&@[#7]:&@1 (443967, 'CHEMBL892114', 57, 'Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 28.7, mcs nAts: 21 [#6,#8]-&!@[#6]1(-&!@[#8,#6])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (860487, 'CHEMBL2166656', 57, 'Inhibition of human N-terminal poly-His tagged-PI3Kbeta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:39] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:05:39] Aromatic bonds on non aromatic atom 1
Mean nAts 27.5, mcs nAts: 20 [#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7,#6]:&@[#6]:&@2-&!@[#7,#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@2):&@[#7,#6]:&@[#6]:&@[#7]:&@1 (355134, 'CHEMBL853187', 57, 'Displacement of [3H]citalopram from SERT') * postgresql://localhost/chembl_26 Mean nAts 30.3, mcs nAts: 16 [#6]-&!@[#6]-&!@[#7](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@1 (634857, 'CHEMBL1120489', 57, 'Displacement [3H]Arg human recombinant Vasopressin V2 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:05:40] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:05:40] Aromatic bonds on non aromatic atom 1
Mean nAts 31.3, mcs nAts: 8 [#6,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6,#8,#17] (634856, 'CHEMBL1120488', 57, 'Displacement [3H]Arg human recombinant Vasopressin V1a receptor') * postgresql://localhost/chembl_26 Mean nAts 31.3, mcs nAts: 8 [#6,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6,#8,#17] (520160, 'CHEMBL947848', 57, 'Inhibition of human liver CE1-mediated O-nitrophenyl acetate hydrolysis by spectrophotometry') * postgresql://localhost/chembl_26 Mean nAts 29.9, mcs nAts: 16 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (404874, 'CHEMBL869276', 57, 'Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 36.0, mcs nAts: 25 [#6,#7]-&!@[#6](-&!@[#7,#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (821892, 'CHEMBL2039538', 57, 'Displacement of [3HPGD2 from human CRTH2 receptor expressed in CHO cell membrane after 90 mins by scintillation proximity assay') * postgresql://localhost/chembl_26 Mean nAts 28.2, mcs nAts: 22 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#7](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]1:&@[#7]:&@[#7]:&@[#7]:&@[#7]:&@1 (450409, 'CHEMBL900693', 57, 'Inhibition of human CB2 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:07:12] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:07:12] Aromatic bonds on non aromatic atom 5
Mean nAts 30.5, mcs nAts: 15 [#6]-&!@[#6]-&!@[#7]1:&@[#6,#7]:&@[#6](-&!@[#6,#7]-,=;!@[#6,#7,#8]):&@[#6](:&@[#6]2:&@[#6]:&@1:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6,#7]:&@2)=&!@[#8,#16] (860486, 'CHEMBL2166655', 57, 'Inhibition of human N-terminal poly-His tagged-PI3Kgamma expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay') * postgresql://localhost/chembl_26
RDKit ERROR: [08:07:13] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:07:13] Aromatic bonds on non aromatic atom 2
Mean nAts 27.5, mcs nAts: 20 [#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7,#6]:&@[#6]:&@2-&!@[#7,#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@2):&@[#7,#6]:&@[#6]:&@[#7]:&@1 (443966, 'CHEMBL892113', 57, 'Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 28.7, mcs nAts: 21 [#6,#8]-&!@[#6]1(-&!@[#8,#6])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (685646, 'CHEMBL1285548', 57, 'Inhibition of wild type HIV1 protease by FRET') * postgresql://localhost/chembl_26
RDKit ERROR: [08:07:14] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:07:14] Aromatic bonds on non aromatic atom 1
Mean nAts 44.9, mcs nAts: 40 [#6]-&!@[#6](-&!@[#6])-&!@[#6]-&!@[#7](-&!@[#6]-&!@[#6](-&!@[#8])-&!@[#6](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1-&@[#6]-&@[#7](-&@[#6](-&@[#8]-&@1)=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (860485, 'CHEMBL2166654', 57, 'Inhibition of human N-terminal poly-His tagged-PI3Kdelta expressed in Sf9 baculovirus system co-expressing p85alpha after 20 mins by AlphaScreen assay') * postgresql://localhost/chembl_26 Mean nAts 27.5, mcs nAts: 20 [#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#6](-&!@[#6]2:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#7,#6]:&@[#6]:&@2-&!@[#7,#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@2):&@[#7,#6]:&@[#6]:&@[#7]:&@1 (443965, 'CHEMBL892112', 57, 'Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 28.7, mcs nAts: 21 [#6,#8]-&!@[#6]1(-&!@[#8,#6])-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (588142, 'CHEMBL1049259', 57, 'Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:07:19] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:07:19] Aromatic bonds on non aromatic atom 1
Mean nAts 31.7, mcs nAts: 22 [#6]-&!@[#6]1:&@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]):&@[#7]:&@[#7](:&@[#6]:&@1-&!@[#7]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#9,#17] (588141, 'CHEMBL1049258', 57, 'Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells') * postgresql://localhost/chembl_26 Mean nAts 31.7, mcs nAts: 22 [#6]-&!@[#6]1:&@[#6](-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]):&@[#7]:&@[#7](:&@[#6]:&@1-&!@[#7]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#9,#17] (1534939, 'CHEMBL3707803', 56, 'Biological Assay: Biological assay using monoamine oxidase or LSD1.') * postgresql://localhost/chembl_26 Mean nAts 24.9, mcs nAts: 14 [#7,#8]-,=;!@[#6](=,-;!@[#8,#7])-&!@[#6]-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (363667, 'CHEMBL853234', 56, 'Displacement of [3H]BK from human B2 receptor transfected in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 41.8, mcs nAts: 31 [#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6](:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6](-&!@[#17]):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#17])-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6](=,-;!@[#8,#7])-,=;!@[#7,#8] (863118, 'CHEMBL2175616', 56, 'Inhibition of human recombinant DOT1L catalytic domain amino acid (1 to 472) using [3H]-SAM after 30 mins by scintillation counter') * postgresql://localhost/chembl_26 Mean nAts 31.2, mcs nAts: 21 [#6]-&!@[#6]-&!@[#7,#16]-&!@[#6]-&!@[#6]1-&@[#8]-&@[#6](-&@[#6](-&@[#6]-&@1-&!@[#8])-&!@[#8])-&!@[#7]1:&@[#6]:&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#7]:&@[#6]:&@[#7]:&@[#6]:&@2-&!@[#7] (363669, 'CHEMBL853236', 56, 'Binding affinity to human B1 receptor') * postgresql://localhost/chembl_26 Mean nAts 41.8, mcs nAts: 31 [#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6](:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#8]-&!@[#6]-&!@[#6]1:&@[#6](-&!@[#17]):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#17])-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6])(-&!@[#6])-&!@[#6](=,-;!@[#8,#7])-,=;!@[#7,#8] (391331, 'CHEMBL870467', 56, 'Displacement of [3H]SCH 23390 from human dopamine D1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 33.9, mcs nAts: 27 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#7]-&!@[#7]1-&@[#6]2:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@2-&@[#7]=&@[#6](-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6])-&!@[#17] (1351394, 'CHEMBL3266970', 56, 'Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in cell membranes by scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 28.7, mcs nAts: 10 [#8,#6,#7]=,-;!@[#6]-&!@[#6]1:&@[#6]:&@[#6](:&@[#6,#8]:&@[#8,#6]:&@1)-&!@[#6,#7]-&!@[#8,#6,#7]-,=;!@[#6,#8,#16] (1528180, 'CHEMBL3705650', 56, 'Enzyme Assay: All compound solutions are made to a concentration of 10 mM in DMSO. To test the stability of the compounds in enzyme assay conditions, ... (615 characters truncated) ... th 75 ug enzyme preparation in TME buffer with 0.1% BSA (final volume 250 uL). The reaction mixture is treated in the same manner as described above.') * postgresql://localhost/chembl_26 Mean nAts 21.4, mcs nAts: 11 [#6,#8]-,=;!@[#6]-&!@[#8,#6]-&!@[#6]-&!@[#7,#6,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (441650, 'CHEMBL891881', 56, 'Binding affinity for human cloned vasopressin V1a receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:08:50] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:08:50] Aromatic bonds on non aromatic atom 2
Mean nAts 50.6, mcs nAts: 31 [#6,#7,#8]-,=;!@[#6]-&!@[#6](-&!@[#6](=,-;!@[#8,#7])-,=;!@[#8,#6,#7])-&!@[#7]1-&@[#6](=&!@[#8])-&@[#6](-&@[#6]-&@1-&!@[#6]=,-;!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#7]1-&@[#6](=&!@[#8])-&@[#8]-&@[#6]-&@[#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (611932, 'CHEMBL1071493', 56, 'Inhibition of human adenosine 2A receptor') * postgresql://localhost/chembl_26 Mean nAts 23.1, mcs nAts: 7 [#6,#7,#8,#16]-,=;!@[#6,#7]1:,-,=;@[#6,#7]:,-;@[#7,#6]:,-;@[#6,#7]:,-;@[#7,#6,#8]:,-;@[#6,#7]:,-;@1 (336777, 'CHEMBL864338', 56, 'Inhibitory activity against Src in cell free assay') * postgresql://localhost/chembl_26 Mean nAts 25.0, mcs nAts: 18 [#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#7]:&@[#7]:&@2-&!@[#6]=,-;!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (303283, 'CHEMBL828276', 56, 'Inhibition of [3H]ZM-241385 binding to adenosine A2a receptor of rat brain tissue') * postgresql://localhost/chembl_26 Mean nAts 30.0, mcs nAts: 16 [#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#7]):&@[#7]:&@[#6]2:&@[#7]:&@1:&@[#7]:&@[#6](:&@[#7]:&@2)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1 (816345, 'CHEMBL2024743', 56, 'Inhibition of N-terminal hexa-histidine tagged human cloned Eg5 (1 to 368 amino acids) expressed in Escherichia coli BL21 (DE3) assessed as reduction in basal ATPase activity by pyruvate kinase/lactate dehydrogenase-linked assay') * postgresql://localhost/chembl_26 Mean nAts 26.0, mcs nAts: 23 [#7]-&!@[#6]-&!@[#6]-&!@[#16,#6,#7,#8]-&!@[#6](-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)(-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (373919, 'CHEMBL868541', 56, 'Inhibition of matriptase') * postgresql://localhost/chembl_26 Mean nAts 42.3, mcs nAts: 24 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]:&@1)-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6](=&!@[#7])-&!@[#7])-&!@[#6](=,-;!@[#8,#7])-,=;!@[#7,#8] (513861, 'CHEMBL970755', 56, 'Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0') * postgresql://localhost/chembl_26 Mean nAts 24.7, mcs nAts: 15 [#8,#6]=,-;!@[#6](-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-,=;!@[#6,#8] (737263, 'CHEMBL1613909', 56, 'PUBCHEM_BIOASSAY: SAR Colorimetric assay for the identification of compounds that inhibit VHR1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1654, AID1661, AID1878, AID1957, AID1958, AID1992, AID2074, AID2082, AID2083]') * postgresql://localhost/chembl_26
RDKit ERROR: [08:09:23] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:09:23] Aromatic bonds on non aromatic atom 0
Mean nAts 23.4, mcs nAts: 7 [#7,#6,#8,#9]-,=;!@[#6,#7]1:,-;@[#6,#7]:,-,=;@[#6]:,-;@[#6,#7,#8]:,-;@[#6,#7]:,-,=;@[#6,#7]:,-;@1 (391332, 'CHEMBL870468', 56, 'Displacement of [3H]methylspiperone from human dopamine D2 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 33.9, mcs nAts: 27 [#6,#8]-,=;!@[#6](=,-;!@[#8,#6])-&!@[#7]-&!@[#7]1-&@[#6]2:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@2-&@[#7]=&@[#6](-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6])-&!@[#17] (1522895, 'CHEMBL3630768', 56, 'Inhibition of recombinant HIV-1 protease expressed in Escherichia coli using Arg-Glu (EDANS)-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln Lys(DABCYL)-Arg as substrate by spectrofluorometric analysis') * postgresql://localhost/chembl_26 Mean nAts 31.6, mcs nAts: 17 [#6]-&!@[#6]1=&@[#7]-&@[#6](-&!@[#6])-&@[#6](-&@[#7]-&@[#6]2:&@[#6]-&@1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6](=&!@[#8])-&!@[#8])=&!@[#8] (1690030, 'CHEMBL4040600', 56, 'Inhibition of recombinant human N-terminal GST-tagged IKKalpha (1 to 745 residues) expressed in baculovirus expression system using biotinylated IkBalpha as substrate after 60 mins by DELFIA') * postgresql://localhost/chembl_26 Mean nAts 19.6, mcs nAts: 12 [#7,#6]#,-;!@[#6,#7]-&!@[#6]1:&@[#6,#7]:&@[#7,#6]:&@[#6,#7]:&@[#7,#6]:&@[#6,#7]:&@[#7,#6]:&@[#6](:&@[#6,#7]:&@1)-&!@[#17,#6,#7] (444276, 'CHEMBL894516', 55, 'Binding affinity to human cloned adrenergic alpha-1A receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:09:45] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:09:45] Aromatic bonds on non aromatic atom 2
Mean nAts 34.6, mcs nAts: 31 [#6]-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#7,#6]:&@[#6]:&@1 (444277, 'CHEMBL894517', 55, 'Binding affinity to human cloned adrenergic alpha-1B receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:09:53] Aromatic bonds on non aromatic atom 30 RDKit INFO: [08:09:53] Aromatic bonds on non aromatic atom 30
Mean nAts 34.6, mcs nAts: 31 [#6]-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#7,#6]:&@[#6]:&@1 (444278, 'CHEMBL894518', 55, 'Binding affinity to human cloned adrenergic Alpha-1D receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:10:03] Aromatic bonds on non aromatic atom 30 RDKit INFO: [08:10:03] Aromatic bonds on non aromatic atom 30
Mean nAts 34.6, mcs nAts: 31 [#6]-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#7,#6]:&@[#6]:&@1 (469216, 'CHEMBL948917', 55, 'Inhibition of human alpha-thrombin') * postgresql://localhost/chembl_26
RDKit ERROR: [08:10:12] Aromatic bonds on non aromatic atom 30 RDKit INFO: [08:10:12] Aromatic bonds on non aromatic atom 30
Mean nAts 40.5, mcs nAts: 13 [#6,#7]-&!@[#6](-&!@[#7,#6]-&!@[#6,#16](=,-;!@[#8,#6])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#6,#7]1:,-;@[#7,#6,#16]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#16,#6,#7,#8]:,-;@1 (1468240, 'CHEMBL3411783', 55, 'Binding affinity to CB2 receptor (unknown origin)') * postgresql://localhost/chembl_26 Mean nAts 30.2, mcs nAts: 10 [#6,#8]-,=;!@[#6,#7]-&!@[#8,#6,#7,#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@1-,=;!@[#8,#7,#16] (700657, 'CHEMBL1645696', 55, 'Inhibition of human recombinant CA6 by stopped-flow CO2 hydration assay') * postgresql://localhost/chembl_26 Mean nAts 11.8, mcs nAts: 1 [#9] (700655, 'CHEMBL1645694', 55, 'Inhibition of human recombinant CA1 by stopped-flow CO2 hydration assay') * postgresql://localhost/chembl_26 Mean nAts 11.8, mcs nAts: 1 [#9] (700656, 'CHEMBL1645695', 55, 'Inhibition of human recombinant CA2 by stopped-flow CO2 hydration assay') * postgresql://localhost/chembl_26 Mean nAts 11.8, mcs nAts: 1 [#9] (700659, 'CHEMBL1645698', 55, 'Inhibition of Stylophora pistillata carbonic anhydrase 2 by stopped-flow CO2 hydration assay') * postgresql://localhost/chembl_26 Mean nAts 11.8, mcs nAts: 1 [#9] (979771, 'CHEMBL2421816', 55, 'Inhibition of TYK2 (unknown origin) using 5-carboxyfluorescein-VALVDGYFRLTT-NH2 as substrate') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 15 [#8,#6]=,-;!@[#6,#7,#16](-&!@[#7,#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#7,#6]:&@[#6]:&@[#6,#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6]:&@1 (362986, 'CHEMBL871249', 55, 'Inhibition of human recombinant DPP4') * postgresql://localhost/chembl_26 Mean nAts 23.9, mcs nAts: 16 [#7]#&!@[#6]-&!@[#6]1-&@[#6]-&@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6](=&!@[#8])-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#7]-&@1)-&!@[#6]-,=;!@[#8,#6,#7] (700658, 'CHEMBL1645697', 55, 'Inhibition of Stylophora pistillata carbonic anhydrase by stopped-flow CO2 hydration assay') * postgresql://localhost/chembl_26 Mean nAts 11.8, mcs nAts: 1 [#9] (979759, 'CHEMBL2421804', 55, 'Inhibition of JAK1 (unknown origin)') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 15 [#8,#6]=,-;!@[#6,#7,#16](-&!@[#7,#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#7,#6]:&@[#6]:&@[#6,#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6]:&@1 (876706, 'CHEMBL2183177', 54, 'Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells incubated for 1 hr') * postgresql://localhost/chembl_26
RDKit ERROR: [08:10:14] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:10:14] Aromatic bonds on non aromatic atom 3 RDKit ERROR: [08:10:14] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:10:14] Aromatic bonds on non aromatic atom 3 RDKit ERROR: [08:10:14] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:10:14] Aromatic bonds on non aromatic atom 3
Mean nAts 30.7, mcs nAts: 13 [#6,#8]-,=;!@[#6,#7]-&!@[#6,#7]-&!@[#6,#7]-&!@[#7,#6]-&!@[#6,#7]-,=;!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (302845, 'CHEMBL827890', 54, 'Binding affinity for Human gonadotropin-releasing hormone receptor') * postgresql://localhost/chembl_26 Mean nAts 34.5, mcs nAts: 26 [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]1:&@[#6](-&!@[#6]):&@[#7](-&!@[#6]-&!@[#6]2:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@2):&@[#6](:&@[#7](:&@[#6]:&@1=&!@[#8])-&!@[#6]-&!@[#6](-&!@[#6,#7])-&!@[#7,#6])=&!@[#8] (373920, 'CHEMBL868542', 54, 'Inhibition of uPA') * postgresql://localhost/chembl_26
RDKit ERROR: [08:10:23] Aromatic bonds on non aromatic atom 11 RDKit INFO: [08:10:23] Aromatic bonds on non aromatic atom 11
Mean nAts 42.5, mcs nAts: 24 [#7]=&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#16](=,-;!@[#8,#6])(=&!@[#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6]-&@1 (373921, 'CHEMBL868543', 54, 'Inhibition of plasmin') * postgresql://localhost/chembl_26 Mean nAts 42.5, mcs nAts: 24 [#7]=&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#16](=,-;!@[#8,#6])(=&!@[#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6]-&@1 (373922, 'CHEMBL868544', 54, 'Inhibition of thrombin') * postgresql://localhost/chembl_26 Mean nAts 42.5, mcs nAts: 24 [#7]=&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#16](=,-;!@[#8,#6])(=&!@[#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6]-&@1 (373923, 'CHEMBL868545', 54, 'Inhibition of f10a') * postgresql://localhost/chembl_26 Mean nAts 42.5, mcs nAts: 24 [#7]=&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#16](=,-;!@[#8,#6])(=&!@[#8])-,=;!@[#6,#8])-&!@[#6](=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6]-&@1 (438974, 'CHEMBL889317', 54, 'Inhibition of human F10a') * postgresql://localhost/chembl_26 Mean nAts 35.6, mcs nAts: 30 [#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6](-&!@[#17]):&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#16]:&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#17])-&!@[#6]-&!@[#7])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#7,#6]:&@1)-&!@[#17] (438975, 'CHEMBL889318', 54, 'Inhibition of human F2a') * postgresql://localhost/chembl_26
RDKit ERROR: [08:12:34] Aromatic bonds on non aromatic atom 23 RDKit INFO: [08:12:34] Aromatic bonds on non aromatic atom 23
Mean nAts 35.6, mcs nAts: 30 [#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6](-&!@[#17]):&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#16]:&@[#6]:&@[#6](:&@[#6]:&@1-&!@[#17])-&!@[#6]-&!@[#7])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#7,#6]:&@1)-&!@[#17] (444279, 'CHEMBL894519', 54, 'Binding affinity to human dopamine D2 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:12:44] Aromatic bonds on non aromatic atom 23 RDKit INFO: [08:12:44] Aromatic bonds on non aromatic atom 23
Mean nAts 34.7, mcs nAts: 32 [#6]-&!@[#6](-&!@[#6])-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@[#6]-&@1)-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6,#7]:&@[#6]:&@1 (472994, 'CHEMBL931641', 54, 'Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:12:45] Aromatic bonds on non aromatic atom 31 RDKit INFO: [08:12:45] Aromatic bonds on non aromatic atom 31
Mean nAts 28.4, mcs nAts: 20 [#6]-&!@[#6]1(-&!@[#6])-&@[#6](-&@[#6]-&@1(-&!@[#6])-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#7](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6]-&!@[#6] (472995, 'CHEMBL931642', 54, 'Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells') * postgresql://localhost/chembl_26 Mean nAts 28.4, mcs nAts: 20 [#6]-&!@[#6]1(-&!@[#6])-&@[#6](-&@[#6]-&@1(-&!@[#6])-&!@[#6])-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#7](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#6]-&!@[#6] (501433, 'CHEMBL994692', 54, 'Displacement of [3H]LSD from human recombinant 5HT6 receptor') * postgresql://localhost/chembl_26 Mean nAts 23.2, mcs nAts: 21 [#6]-&!@[#6]1:&@[#6](-&!@[#8,#6]-&!@[#6,#8,#16]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@2):&@[#6,#7]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#7]-&@[#6]-&@[#6]-&@1 (536731, 'CHEMBL984525', 54, 'Displacement of [3H]paroxetine from serotonin transporter in Sprague-Dawley rat frontal cortical membrane') * postgresql://localhost/chembl_26
RDKit ERROR: [08:13:45] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:13:45] Aromatic bonds on non aromatic atom 1
Mean nAts 32.3, mcs nAts: 17 [#6]-&!@[#6]-&!@[#6]-&!@[#7](-&!@[#6])-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6](-&@[#6]-&@1):&@[#6](:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#8,#6]-,=;!@[#6,#7,#8] (560534, 'CHEMBL1021384', 54, 'Displacement of radioligand from human recombinant adenosine A2B receptor at 21 degC after 60 mins by cell-based microplate scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 23.9, mcs nAts: 22 [#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6]2:&@[#6,#7,#16]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7]:&@[#7]:&@2)-&!@[#6]-&!@[#6]1:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#7,#6]:,-;@[#6,#7]:,-;@1 (560535, 'CHEMBL1021385', 54, 'Displacement of radioligand from human recombinant adenosine A3 receptor at 21 degC after 60 mins by cell-based microplate scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [08:13:52] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:13:52] Aromatic bonds on non aromatic atom 4
Mean nAts 23.9, mcs nAts: 22 [#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#6]2:&@[#6,#7,#16]:&@[#6,#7]:&@[#6,#7]:&@[#8,#7,#16]:&@2):&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7](:&@[#7]:&@[#7]:&@2)-&!@[#6]-&!@[#6]1:,-;@[#6]:,-;@[#7,#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#7,#6]:,-;@1 (675412, 'CHEMBL1273492', 54, 'Inhibition of human N-terminal His6-tagged reticulocyte 15-lipoxygenase-1 after 15 mins by UV-vis spectrophotometer analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [08:13:57] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:13:57] Aromatic bonds on non aromatic atom 4
Mean nAts 29.8, mcs nAts: 20 [#8,#6]=,-;!@[#6](-&!@[#8,#7]-&!@[#6]-&!@[#6]#,-,=;!@[#6]-&!@[#6]-&!@[#16,#7]-&!@[#6]1:&@[#7]:&@[#7]:&@[#6](:&@[#8]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-,=;!@[#6,#8] (803919, 'CHEMBL1954606', 54, 'Displacement of [3H]methyllylcaconitine from alpha7 nAChR in rat brain') * postgresql://localhost/chembl_26 Mean nAts 27.4, mcs nAts: 7 [#6,#7,#8]-,=;!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7,#8]:,-;@[#7,#6]:,-;@[#6]:,-;@1 (876705, 'CHEMBL2182818', 54, 'Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cells incubated for 1 hr') * postgresql://localhost/chembl_26 Mean nAts 31.1, mcs nAts: 13 [#6,#8]-,=;!@[#6,#7]-&!@[#6,#7]-&!@[#6,#7]-&!@[#7,#6]-&!@[#6,#7]-,=;!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (979760, 'CHEMBL2421805', 54, 'Inhibition of JAK2 (unknown origin)') * postgresql://localhost/chembl_26 Mean nAts 20.2, mcs nAts: 15 [#8,#6]=,-;!@[#6,#7,#16](-&!@[#7,#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#7,#6]:&@[#6]:&@[#6,#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6,#7]:&@[#6]:&@[#6]:&@1 (1503354, 'CHEMBL3590745', 54, 'Displacement of (-)-[3H]vesamicol from rat VAChT expressed in PC12 cell membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:02] Aromatic bonds on non aromatic atom 6 RDKit INFO: [08:14:02] Aromatic bonds on non aromatic atom 6 RDKit ERROR: [08:14:02] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:14:02] Aromatic bonds on non aromatic atom 3
Mean nAts 25.9, mcs nAts: 13 [#8]-&!@[#6]1-&@[#6]-&@[#6]-,=,:;@[#6]-&@[#6]-&@[#6]-&@1-&!@[#7]1-&@[#6]-&@[#6]-,=;@[#6,#7]:,-;@[#6]-&@[#6]-&@1 (1503356, 'CHEMBL3590859', 54, 'Displacement of (-)-[3H]pentazocine from sigma1 receptor in Sprague-Dawley rat cortical membranes incubated for 2 hrs by liquid scintillation counting based competitive radioligand binding assay') * postgresql://localhost/chembl_26 Mean nAts 25.9, mcs nAts: 13 [#8]-&!@[#6]1-&@[#6]-&@[#6]-,=,:;@[#6]-&@[#6]-&@[#6]-&@1-&!@[#7]1-&@[#6]-&@[#6]-,=;@[#6,#7]:,-;@[#6]-&@[#6]-&@1 (1528733, 'CHEMBL3705892', 54, 'Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was use ... (659 characters truncated) ... ) (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3Kd in nM.') * postgresql://localhost/chembl_26 Mean nAts 28.4, mcs nAts: 26 [#8]=&!@[#6](-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6,#7]-&@[#8,#6]-&@1)-&!@[#6]1:&@[#6,#7]:&@[#6,#7](:&@[#7,#6]:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@1 (1528734, 'CHEMBL3705893', 54, 'Radioligand Binding: The TAAR1 radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine (described in WO 2008/098857) was use ... (659 characters truncated) ... (binding buffer), 300 ul of the radioligand 3[H](S)-4-[(ethyl-phenyl-amino)-methyl]-4,5-dihydro-oxazol-2-ylamine at a concentration of 3.3 Kd in nM.') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:04] Aromatic bonds on non aromatic atom 15 RDKit INFO: [08:14:04] Aromatic bonds on non aromatic atom 15
Mean nAts 28.4, mcs nAts: 26 [#8]=&!@[#6](-&!@[#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6]1-&@[#6]-&@[#7,#6]-&@[#6]-&@[#6,#7]-&@[#8,#6]-&@1)-&!@[#6]1:&@[#6,#7]:&@[#6,#7](:&@[#7,#6]:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@1 (1776530, 'CHEMBL4233522', 54, 'Displacement of [3H]-Nalpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cell membranes') * postgresql://localhost/chembl_26 Mean nAts 22.4, mcs nAts: 9 [#6,#7,#8]-,=;!@[#6,#7]-&!@[#6,#8]-&!@[#6]1:&@[#7,#6,#8]:&@[#7,#16]:&@[#6](:&@[#8,#7]:&@1)-&!@[#7,#6] (1344334, 'CHEMBL3257004', 53, 'Reversible competitive inhibition of boar spermatozoa acrosin using BzArgOEt as substrate by Dixon plot analysis') * postgresql://localhost/chembl_26 Mean nAts 25.0, mcs nAts: 12 [#7,#6,#8]=,-;!@[#6,#7](-&!@[#7,#6,#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6,#8]-&!@[#8,#6]-&!@[#6] (873559, 'CHEMBL2187476', 53, 'Displacement of [3H]epibatidine from human alpha7 nAChR expressed in human HEK/RIC3 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:04] Aromatic bonds on non aromatic atom 15 RDKit INFO: [08:14:04] Aromatic bonds on non aromatic atom 15 RDKit ERROR: [08:14:04] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:14:04] Aromatic bonds on non aromatic atom 3
Mean nAts 18.2, mcs nAts: 15 [#6,#7]1:&@[#6,#7]:&@[#7,#6]:&@[#6,#7]:&@[#6](:&@[#6]:&@1)-&!@[#7,#6]1-,=;@[#6]-&@[#6]2-&@[#6]-&@[#7]-&@[#6]-&@[#6](-&@[#6]-,=;@1)-&@[#6]-&@2 (769241, 'CHEMBL1833078', 53, 'Displacement of [3H]PK11195 from TSPO receptor in rat kidney membranes') * postgresql://localhost/chembl_26 Mean nAts 23.6, mcs nAts: 16 [#6]-&!@[#6,#7]-&!@[#7,#6](-,=;!@[#6,#8])-&!@[#6]-&!@[#6]1:&@[#6,#7,#8]:&@[#8,#7]:&@[#6](:&@[#7,#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (990337, 'CHEMBL2445750', 53, 'Displacement of [3H]-CP55940 from CB1 receptor in rat brain homogenate after 1.5 hrs by microbeta liquid scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:04] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:14:04] Aromatic bonds on non aromatic atom 5 RDKit ERROR: [08:14:04] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:14:04] Aromatic bonds on non aromatic atom 5
Mean nAts 27.4, mcs nAts: 17 [#6]-&!@[#6]-&!@[#7]1:&@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6,#7]:&@[#6](:&@[#6]:&@2)-&!@[#6]#,-,=;!@[#7,#8,#16] (990336, 'CHEMBL2445749', 53, 'Displacement of [3H]-CP55940 from human CB2 receptor expressed in HEK293 cells after 1.5 hrs by microbeta liquid scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:09] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:14:09] Aromatic bonds on non aromatic atom 2
Mean nAts 27.4, mcs nAts: 17 [#6]-&!@[#6]-&!@[#7]1:&@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6,#7]:&@[#6](:&@[#6]:&@2)-&!@[#6]#,-,=;!@[#7,#8,#16] (384211, 'CHEMBL868581', 53, 'Binding affinity to human 5HT2C receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:14:13] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:14:13] Aromatic bonds on non aromatic atom 2
Mean nAts 31.5, mcs nAts: 28 [#8]=&!@[#6]1-&@[#6,#7](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)=,-;@[#6]-&@[#6]-,=;@[#7,#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#8]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6,#8]-&@[#6]-&@[#6]-&@1)-&!@[#17,#6,#7,#8] (384212, 'CHEMBL868582', 53, 'Binding affinity to human 5HT2A receptor') * postgresql://localhost/chembl_26 Mean nAts 31.5, mcs nAts: 28 [#8]=&!@[#6]1-&@[#6,#7](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)=,-;@[#6]-&@[#6]-,=;@[#7,#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#8]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6,#8]-&@[#6]-&@[#6]-&@1)-&!@[#17,#6,#7,#8] (384213, 'CHEMBL868583', 53, 'Binding affinity to human 5HT2B receptor') * postgresql://localhost/chembl_26 Mean nAts 31.5, mcs nAts: 28 [#8]=&!@[#6]1-&@[#6,#7](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)=,-;@[#6]-&@[#6]-,=;@[#7,#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#8]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6,#8]-&@[#6]-&@[#6]-&@1)-&!@[#17,#6,#7,#8] (411464, 'CHEMBL853861', 53, 'Displacement of [125I]motilin from human MOTR') * postgresql://localhost/chembl_26 Mean nAts 41.5, mcs nAts: 7 [#6]-&!@[#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@1 (425512, 'CHEMBL909602', 53, 'Displacement of Bax-derived peptide from Bcl2 by fluorescence polarization assay') * postgresql://localhost/chembl_26 Mean nAts 52.6, mcs nAts: 44 [#6,#8]-,=;!@[#8,#6,#16]-,=;!@[#6,#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#7](=&!@[#8])-&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]-&!@[#7](-&!@[#6])-&!@[#6])-&!@[#6]-&!@[#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1352081, 'CHEMBL3267346', 53, 'Inhibition of human recombinant adenosine receptor A2b') * postgresql://localhost/chembl_26 Mean nAts 26.3, mcs nAts: 7 [#6,#7,#8]-&!@[#7,#6]1:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#7,#6]:,-;@[#6,#7,#8]:,-;@1 (554819, 'CHEMBL953972', 53, 'Displacement of [3H]CP-55940 from human CB2 receptor') * postgresql://localhost/chembl_26 Mean nAts 31.6, mcs nAts: 23 [#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6,#7]:&@1)-&!@[#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#7]:&@1-&!@[#6]-&!@[#6]):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6,#7](-,=;!@[#7,#6,#8])=,-;!@[#8,#6,#7] (536733, 'CHEMBL984527', 53, 'Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:15:47] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:15:47] Aromatic bonds on non aromatic atom 2
Mean nAts 32.2, mcs nAts: 17 [#6]-&!@[#6]-&!@[#6]-&!@[#7](-&!@[#6])-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6](-&@[#6]-&@1):&@[#6](:&@[#6]:&@[#6]:&@[#6]:&@2)-&!@[#8,#6]-,=;!@[#6,#7,#8] (447747, 'CHEMBL895641', 53, 'Displacement of [125I]NDP-alphaMSH from human melanocortin 4 receptor expressed in CHOK1 cells') * postgresql://localhost/chembl_26 Mean nAts 39.8, mcs nAts: 25 [#7,#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#7]:&@1-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7,#6,#8]):&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@2)-&!@[#6](=&!@[#8])-&!@[#7](-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6])-&!@[#6]-&!@[#6]-&!@[#6]-&!@[#6] (157733, 'CHEMBL765171', 53, 'Inhibitory activity against HIV protease') * postgresql://localhost/chembl_26 Mean nAts 46.8, mcs nAts: 38 [#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#6]-&!@[#7]1-&@[#6](=&!@[#8])-&@[#7](-&!@[#6]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&@[#6](-&@[#6](-&@[#6](-&@[#6]-&@1-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#8])-&!@[#8])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (52222, 'CHEMBL663972', 53, 'In vitro binding affinity towards Cysteinyl leukotriene D4 receptor by using [3H]LTD4 binding assay in guinea pig lung membranes') * postgresql://localhost/chembl_26 Mean nAts 36.9, mcs nAts: 18 [#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6]:&@1)-&!@[#8,#6,#7]-,=;!@[#6,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#7,#6]:&@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (470061, 'CHEMBL933439', 53, 'Inhibition of human factor 10a') * postgresql://localhost/chembl_26
RDKit ERROR: [08:16:31] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:16:31] Aromatic bonds on non aromatic atom 0
Mean nAts 39.0, mcs nAts: 23 [#6]1:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6](-&@[#6]-&@1=&!@[#8])-&!@[#7]-&!@[#16,#6](=,-;!@[#8,#6,#7])-,=;!@[#6,#8] (1638156, 'CHEMBL3881217', 53, 'Displacement of [3H]-PGD2 from PGD2 receptor in human platelet membranes after 2 hrs by micro beta scintillation counting analysis') * postgresql://localhost/chembl_26
RDKit ERROR: [08:17:02] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:17:02] Aromatic bonds on non aromatic atom 0
Mean nAts 35.1, mcs nAts: 30 [#6]-&!@[#6](-&!@[#6])-&!@[#8,#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]:&@1)-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#7]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#8,#7]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8] (856369, 'CHEMBL2160724', 53, 'Binding affinity to human CCR3 expressed in CHOK1 cells by radioligand displacement assay') * postgresql://localhost/chembl_26
RDKit ERROR: [08:17:02] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:17:02] Aromatic bonds on non aromatic atom 4
Mean nAts 33.5, mcs nAts: 22 [#6,#9,#17]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6](-,:;@[#6]-,:;@[#6]-,:;@1)-&!@[#6,#8]-&!@[#7,#6]1-&@[#6]-&@[#6]-&@[#6,#7](-&@[#6]-&@[#6]-&@1)-&!@[#8,#6]-&!@[#6,#7]1:,-;@[#6]:,-;@[#6]:,-;@[#6,#7](:,-;@[#6]:,-;@[#6]:,-;@1)-&!@[#17,#6,#8] (1671313, 'CHEMBL4021342', 53, 'Displacement of [3H]-MRS-1754 from human adenosine A2B receptor expressed in HEK293 cell membranes after 90 mins') * postgresql://localhost/chembl_26
RDKit ERROR: [08:17:04] Aromatic bonds on non aromatic atom 20 RDKit INFO: [08:17:04] Aromatic bonds on non aromatic atom 20
Mean nAts 33.5, mcs nAts: 22 [#6]#,-;!@[#6]-&!@[#6,#8]-&!@[#7,#6]1:&@[#6]:&@[#6](:&@[#6,#7,#8]:&@[#7]:&@1)-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6](=&!@[#8]):&@[#7](:&@[#6](:&@[#7]:&@2)=&!@[#8])-&!@[#6]-&!@[#6]-&!@[#6] (1352085, 'CHEMBL3267350', 52, 'Inhibition of human recombinant adenosine A3 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:17:32] Aromatic bonds on non aromatic atom 7 RDKit INFO: [08:17:32] Aromatic bonds on non aromatic atom 7
Mean nAts 26.5, mcs nAts: 7 [#6,#7,#8]-&!@[#7,#6]1:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#7,#6]:,-;@[#6,#7,#8]:,-;@1 (1330007, 'CHEMBL3222515', 52, 'Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in CHO-K1 cells') * postgresql://localhost/chembl_26 Mean nAts 22.8, mcs nAts: 8 [#6,#8,#15]=,-;!@[#6,#7,#8]-&!@[#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@1 (1527992, 'CHEMBL3705912', 52, 'Binding Assay: Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyr ... (26 characters truncated) ... azol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138).') * postgresql://localhost/chembl_26 Mean nAts 33.2, mcs nAts: 21 [#6,#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#7](:&@[#6](:&@[#6]:&@1)=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6,#7]:&@1):&@[#7]:&@[#6]1:&@[#6]:&@2-&@[#6]-&@[#7,#6]-&@[#6,#7]-&@[#6]-&@1 (1330005, 'CHEMBL3222513', 52, 'Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:18:03] Aromatic bonds on non aromatic atom 11 RDKit INFO: [08:18:03] Aromatic bonds on non aromatic atom 11
Mean nAts 22.8, mcs nAts: 8 [#6,#8,#15]=,-;!@[#6,#7,#8]-&!@[#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@1 (873597, 'CHEMBL2187886', 52, 'Displacement of [3H]BMS-599240 from BACE1 expressed in HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 32.4, mcs nAts: 26 [#6]-&!@[#6]1:&@[#8,#7,#16]:&@[#7,#8]:&@[#6](:&@[#6]:&@1-&!@[#6](=&!@[#8])-&!@[#7]=&!@[#6](-&!@[#7])-&!@[#7]-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#9,#8] (859794, 'CHEMBL2169622', 52, 'Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain by scintillation counting') * postgresql://localhost/chembl_26
RDKit ERROR: [08:18:04] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:18:04] Aromatic bonds on non aromatic atom 1
Mean nAts 29.2, mcs nAts: 19 [#6]-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6]3:&@[#7]-&@1:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@3:&@[#6]:&@[#6]:&@[#6]:&@2)=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (859793, 'CHEMBL2169621', 52, 'Displacement of [3H]CP-55940 from CB2 receptor in Sprague-Dawley rat spleen by scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 29.2, mcs nAts: 19 [#6]-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6]3:&@[#7]-&@1:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@3:&@[#6]:&@[#6]:&@[#6]:&@2)=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (859792, 'CHEMBL2169620', 52, 'Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cell membranes incubated for 60 mins by scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 29.2, mcs nAts: 19 [#6]-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6]3:&@[#7]-&@1:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@3:&@[#6]:&@[#6]:&@[#6]:&@2)=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (859791, 'CHEMBL2169619', 52, 'Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cell membranes incubated for 90 mins by scintillation counting') * postgresql://localhost/chembl_26 Mean nAts 29.2, mcs nAts: 19 [#6]-&!@[#6]1-&@[#6]-&@[#8]-&@[#6]2:&@[#6]3:&@[#7]-&@1:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@3:&@[#6]:&@[#6]:&@[#6]:&@2)=&!@[#8])-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#6] (835846, 'CHEMBL2071957', 52, 'Inhibition of KDM4C catalytic core-mediated demethylation of ARK(Me)3STGGK after 30 mins by FDH-coupled assay') * postgresql://localhost/chembl_26 Mean nAts 13.5, mcs nAts: 6 [#6,#5,#7,#8,#16,#17,#35]-&!@[#7,#6]1:,-;@[#6,#7,#16]:,-,=;@[#6,#7,#16]:,-;@[#7,#6]:,-,=;@[#7,#6]:,-;@1 (801859, 'CHEMBL1947471', 52, 'Displacement of [3H]WIN35428 from human cloned DAT receptor expressed in human HEK293 cells') * postgresql://localhost/chembl_26 Mean nAts 23.7, mcs nAts: 18 [#6]-&!@[#8]-&!@[#6](=&!@[#8])-&!@[#6]1-&@[#6](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&@[#6]-&@[#6]2-&@[#7]-&@[#6]-&@1-&@[#6]-&@[#6]-&@2 (790253, 'CHEMBL1925646', 52, 'Displacement of [125I-His9]-ghrelin from human GRLN receptor by radioligand binding assay') * postgresql://localhost/chembl_26 Mean nAts 37.8, mcs nAts: 24 [#6]-&!@[#6]1-&@[#7]-&@[#6]-&@[#6]-&@[#8,#6]-&@[#6]:,-;@[#6]-,=;@[#6]-,=;@[#6]-&@[#6]-&@[#7]-&@[#6](-&@[#6](-&@[#7]-&@[#6](-&@[#6]-&@[#7]-&@[#6]-&@1=&!@[#8])=&!@[#8])-&!@[#6]-&!@[#8,#6])=&!@[#8] (699418, 'CHEMBL1647445', 52, 'Displacement of [3H]Tiagabine from human recombinant GAT1 expressed in HEK293 cells by equilibrium binding assay') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 12 [#6]-&!@[#6](=&!@[#6]-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6,#8]-&@[#6]-&@[#6]-&@1)-&!@[#6] (665493, 'CHEMBL1261324', 52, 'Displacement of [125I]-cyanopindolol from human adrenergic beta3 receptor expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 34.2, mcs nAts: 27 [#8]-&!@[#6](-&!@[#6]-&!@[#7]-&!@[#6]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#7]:&@[#6]:&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#16,#6]:&@[#6]:&@[#6,#16]:&@2)-&!@[#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (554820, 'CHEMBL953973', 52, 'Displacement of [3H]CP-55940 from human CB1 receptor') * postgresql://localhost/chembl_26
RDKit ERROR: [08:20:29] Aromatic bonds on non aromatic atom 14 RDKit INFO: [08:20:29] Aromatic bonds on non aromatic atom 14
Mean nAts 31.6, mcs nAts: 23 [#6]-&!@[#8]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6,#7]:&@[#6,#7]:&@1)-&!@[#6]-&!@[#6]1:&@[#7]:&@[#6]2:&@[#6](:&@[#7]:&@1-&!@[#6]-&!@[#6]):&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@2)-&!@[#6,#7](-,=;!@[#7,#6,#8])=,-;!@[#8,#6,#7] (497564, 'CHEMBL998621', 52, 'Displacement of [125I]CXCL10 from human CXCR3 expressed in HEK293T cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:20:33] Aromatic bonds on non aromatic atom 2 RDKit INFO: [08:20:33] Aromatic bonds on non aromatic atom 2
Mean nAts 26.7, mcs nAts: 14 [#6]1:,-;@[#6]:,-;@[#6,#7](-&!@[#17,#6,#7,#8]):,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-,=;@1-&!@[#6,#7]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6,#7]-,:;@[#6]-,:;@[#6]-,:;@1 (475717, 'CHEMBL934603', 52, 'Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293T cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:20:33] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:20:33] Aromatic bonds on non aromatic atom 0
Mean nAts 22.3, mcs nAts: 11 [#7,#6,#8]-,=;!@[#6]1:&@[#7,#6]:&@[#6,#7]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2 (450845, 'CHEMBL899931', 52, 'Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:20:35] Aromatic bonds on non aromatic atom 1 RDKit INFO: [08:20:35] Aromatic bonds on non aromatic atom 1
Mean nAts 38.5, mcs nAts: 31 [#6]-&!@[#6]-&!@[#6](-&!@[#7])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6](=&!@[#8])-&!@[#6]1-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#17,#8])-&!@[#6,#16] (448716, 'CHEMBL897862', 52, 'Displacement of [3H]LSD from cloned human 5HT6 expressed in HeLa cells') * postgresql://localhost/chembl_26 Mean nAts 25.9, mcs nAts: 14 [#8]=&!@[#16](=&!@[#8])(-&!@[#6])-&!@[#6]1:&@[#6]:&@[#7](:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#6]:&@[#6]:&@[#7]:&@2)-&!@[#6] (436469, 'CHEMBL904776', 52, 'Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to crotonyl CoA') * postgresql://localhost/chembl_26 Mean nAts 24.3, mcs nAts: 9 [#6]-&!@[#6]-,=;!@[#7,#6]1-&@[#6,#16]-&@[#6](-&@[#16,#7]-&@[#6]-&@1=&!@[#16,#8])=&!@[#6,#16] (425511, 'CHEMBL909601', 52, 'Displacement of Bad-derived peptide from Bcl-xL by fluorescence polarization assay') * postgresql://localhost/chembl_26 Mean nAts 52.5, mcs nAts: 44 [#6,#8]-,=;!@[#8,#6,#16]-,=;!@[#6,#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#6](=&!@[#8])-&!@[#7]-&!@[#16](=&!@[#8])(=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6](:&@[#6]:&@1)-&!@[#7](=&!@[#8])-&!@[#8])-&!@[#7]-&!@[#6](-&!@[#6]-&!@[#6]-&!@[#7](-&!@[#6])-&!@[#6])-&!@[#6]-&!@[#16]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (396128, 'CHEMBL910349', 52, 'Inhibition of [3H]diprenorphine binding to human KOR expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 30.8, mcs nAts: 26 [#6]-&!@[#8,#7]-&!@[#6]-&!@[#6]1-&@[#6]-&@[#6](-&!@[#7,#8])-&@[#6](-&@[#6]2-&@[#6]-&@1(-&!@[#6])-&@[#6]-&@[#6]-&@[#6]1-&@[#6]-&@2(-&@[#6]-&@[#6](-&@[#8]-&@[#6]-&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#8]:&@[#6]:&@1)-&!@[#6])=&!@[#8] (370710, 'CHEMBL867233', 52, 'Displacement of [3H]N-alpha-methylhistamine from human cloned H3 receptor') * postgresql://localhost/chembl_26 Mean nAts 24.8, mcs nAts: 16 [#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7](:,-;@[#6]:,-;@1)-&!@[#8,#6]-&!@[#6]-&!@[#6]-&!@[#6,#8]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@1 (361059, 'CHEMBL859181', 52, 'Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in HEK293 cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:21:47] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:21:47] Aromatic bonds on non aromatic atom 0
Mean nAts 28.4, mcs nAts: 20 [#8]=&!@[#6](-&!@[#7]-,=;!@[#6]1:&@[#6,#7](-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6,#7]:&@2):&@[#7,#6]:&@[#6,#7]:&@[#7,#6]:&@1)-&!@[#6]1:,-,=;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@[#6,#7]:,-;@[#6]:,-;@1 (1681750, 'CHEMBL4032027', 52, 'Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method') * postgresql://localhost/chembl_26
RDKit ERROR: [08:21:48] Aromatic bonds on non aromatic atom 5 RDKit INFO: [08:21:48] Aromatic bonds on non aromatic atom 5
Mean nAts 42.7, mcs nAts: 33 [#8,#6,#7]=,-;!@[#6,#7]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1-&@[#6]:,-;@[#6]-,:;@[#6]-&@[#6]-&@[#7]-&@1-&!@[#6](=&!@[#8])-&!@[#6]=&!@[#6]-&!@[#6]1:&@[#6]:&@[#6](-&!@[#17]):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#7]1:&@[#6]:&@[#7]:&@[#7]:&@[#7]:&@1 (327232, 'CHEMBL865131', 52, 'Inhibitory activity against human glutaminyl cyclase') * postgresql://localhost/chembl_26 Mean nAts 20.5, mcs nAts: 10 [#6,#7]-,=;!@[#7,#6,#8]-,=;!@[#6,#7]-&!@[#6]-&!@[#6]-&!@[#7]1:&@[#6]:&@[#6]:&@[#7]:&@[#6]:&@1 (304037, 'CHEMBL840215', 52, 'Inhibition constant against [3H]-spiperone binding to human Dopamine receptor D3 expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 19.2, mcs nAts: 9 [#6]1-&@[#6]-&@[#6]-&@[#6,#7]2:&@[#6](-,:;@[#6]-&@1):&@[#16,#6,#7]:&@[#6,#7]:&@[#7,#6]:&@2 (157714, 'CHEMBL763388', 52, 'Inhibition constant against HIV-1 Protease') * postgresql://localhost/chembl_26 Mean nAts 45.4, mcs nAts: 9 [#6,#7,#8]-&!@[#6,#7,#8]-&!@[#6,#8,#16]-&!@[#6]1:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#6]:,-;@[#6,#7]:,-;@1 (1444591, 'CHEMBL3375410', 52, 'Displacement of [3H]CP55940 from human CB1R expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 21 [#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1):&@[#7]:&@[#6]1:&@[#6]:&@2:&@[#7]:&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#16]-&!@[#6]-&!@[#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@1 (1444590, 'CHEMBL3375409', 52, 'Displacement of [3H]WIN-55212-2 from human CB2R expressed in CHO cells') * postgresql://localhost/chembl_26 Mean nAts 27.3, mcs nAts: 21 [#6]1:&@[#6]:&@[#6]:&@[#6]2:&@[#6](:&@[#6]:&@1):&@[#7]:&@[#6]1:&@[#6]:&@2:&@[#7]:&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#16]-&!@[#6]-&!@[#6]1-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@[#6]-,:;@1 (613740, 'CHEMBL1068887', 51, 'Displacement of [3H]nisoxetine from human recombinant NET expressed in BacMam virus-transduced cells by scintillation proximity assay') * postgresql://localhost/chembl_26 Mean nAts 19.0, mcs nAts: 14 [#17]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#17])-&!@[#6]1-&@[#6]-&@[#7,#6]-&@[#6,#7]-&@[#6,#7]-&@[#6]-&@1 (613741, 'CHEMBL1068888', 51, 'Displacement of [3H]citalopram from human recombinant SERT expressed in BacMam virus-transduced cells by scintillation proximity assay') * postgresql://localhost/chembl_26 Mean nAts 19.0, mcs nAts: 14 [#17]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#17])-&!@[#6]1-&@[#6]-&@[#7,#6]-&@[#6,#7]-&@[#6,#7]-&@[#6]-&@1 (1772843, 'CHEMBL4229835', 51, 'Displacement of [3H]-LSD from human 5-HT6R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method') * postgresql://localhost/chembl_26
RDKit ERROR: [08:22:19] Aromatic bonds on non aromatic atom 3 RDKit INFO: [08:22:19] Aromatic bonds on non aromatic atom 3
Mean nAts 34.4, mcs nAts: 12 [#6]1-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]-,:;@[#7,#6]-,:;@1)-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (1790426, 'CHEMBL4262345', 51, 'Displacement of [3H]-(+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting method') * postgresql://localhost/chembl_26 Mean nAts 26.6, mcs nAts: 16 [#7,#6,#8,#16]-,=;!@[#6](=,-;!@[#8,#6,#7,#16])-&!@[#7]-&!@[#6]1:&@[#7]:&@[#6]:&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#7]:&@[#7]:&@2-&!@[#6]-&!@[#6]-&!@[#7,#6] (1772844, 'CHEMBL4229836', 51, 'Displacement of [3H]-8-OH-DPAT from human 5-HT1AR expressed in HEK293 cell membranes after 1 hr by microbeta counting method') * postgresql://localhost/chembl_26 Mean nAts 34.4, mcs nAts: 12 [#6]1-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]-,:;@[#7,#6]-,:;@1)-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (344236, 'CHEMBL867755', 51, 'Inhibition of bovine CA4') * postgresql://localhost/chembl_26 Mean nAts 17.3, mcs nAts: 5 [#6,#7]-&!@[#16](-,=;!@[#7,#8])(=&!@[#8])=,-;!@[#8,#6,#7] (344235, 'CHEMBL870709', 51, 'Inhibition of human CA2') * postgresql://localhost/chembl_26 Mean nAts 17.3, mcs nAts: 5 [#6,#7]-&!@[#16](-,=;!@[#7,#8])(=&!@[#8])=,-;!@[#8,#6,#7] (335548, 'CHEMBL859414', 51, 'Displacement of [3H]L-leucine from alpha-2delta containing calcium channel in murine brain') * postgresql://localhost/chembl_26 Mean nAts 15.1, mcs nAts: 9 [#6](-&!@[#6,#16]-,=;!@[#8,#6,#7])-&!@[#6]1:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@[#6]:,-;@1 (36514, 'CHEMBL650169', 51, 'Inhibitory activity of compound against HIV-1 aspartyl protease.') * postgresql://localhost/chembl_26 Mean nAts 40.5, mcs nAts: 30 [#8]=&!@[#6]1-&@[#7]-&@[#6](-&!@[#6]-&!@[#6]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2)-&@[#6](-&@[#6](-&@[#7]-&@1-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1)-&!@[#8] (1772845, 'CHEMBL4229837', 51, 'Displacement of [3H]-5-CT from human 5-HT7R expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method') * postgresql://localhost/chembl_26 Mean nAts 34.4, mcs nAts: 12 [#6]1-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]-,:;@[#7,#6]-,:;@1)-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (457478, 'CHEMBL941996', 51, 'Displacement of [3H]dexamethasone from human glucocorticoid receptor expressed in recombinant baculovirus') * postgresql://localhost/chembl_26 Mean nAts 30.7, mcs nAts: 20 [#6,#8]-,=;!@[#6,#16]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]2-&@[#6](-&@[#6]-&@1)(-&@[#6]-&@[#6]-&@[#6](-&@[#6]=&@2)=&!@[#8])-&!@[#6]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1772846, 'CHEMBL4229838', 51, 'Displacement of [3H]-raclopride from human D2LR expressed in HEK293 cell membranes after 1 hr at 37 degC by microbeta counting method') * postgresql://localhost/chembl_26 Mean nAts 34.4, mcs nAts: 12 [#6]1-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]-,:;@[#7,#6]-,:;@1)-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (1790472, 'CHEMBL4262391', 51, 'Displacement of [3H]-(+)-pentazocine from recombinant human sigma1 receptor expressed in HEK293 cell membranes after 120 mins by microbeta scintillation counting method') * postgresql://localhost/chembl_26 Mean nAts 24.3, mcs nAts: 18 [#7,#6]-&!@[#6]1:&@[#7]:&@[#6]:&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#6]:&@[#7]:&@[#7]:&@2-&!@[#6]-&!@[#6]-&!@[#7]1-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@[#6]-&@1 (1571915, 'CHEMBL3796307', 51, 'Displacement of [3H]-Spiperone from human recombinant dopamine D4 receptor expressed in CHOK1 cells') * postgresql://localhost/chembl_26 Mean nAts 24.2, mcs nAts: 16 [#6]-&!@[#6,#8]-&!@[#7,#6]1-,:;@[#6]-,:;@[#6]-,:;@[#8,#6]-,:;@[#6](-,:;@[#6]-,:;@1)-&!@[#6,#8]-&!@[#8,#6,#16]-&!@[#6]1:,-;@[#6]:,-;@[#6,#7]:,-;@[#6]:,-;@[#7,#6]:,-;@[#6,#7,#8]:,-;@1 (513860, 'CHEMBL970754', 51, 'Inhibition of rat FAAH expressed in Escherichia coli') * postgresql://localhost/chembl_26
RDKit ERROR: [08:23:15] Aromatic bonds on non aromatic atom 10 RDKit INFO: [08:23:15] Aromatic bonds on non aromatic atom 10
Mean nAts 25.9, mcs nAts: 9 [#6](-&!@[#6]-&!@[#6]-&!@[#6])-&!@[#6]1:&@[#7,#6,#8]:&@[#6,#7,#8]:&@[#6,#7,#8]:&@[#8,#7,#16]:&@1 (436470, 'CHEMBL904775', 51, 'Inhibition of Plasmodium falciparum recombinant enoyl ACP reductase expressed in BL21 (DE3) cells with respect to NADH') * postgresql://localhost/chembl_26
RDKit ERROR: [08:23:15] Aromatic bonds on non aromatic atom 4 RDKit INFO: [08:23:15] Aromatic bonds on non aromatic atom 4
Mean nAts 24.4, mcs nAts: 9 [#6]-&!@[#6]-,=;!@[#7,#6]1-&@[#6,#16]-&@[#6](-&@[#16,#7]-&@[#6]-&@1=&!@[#16,#8])=&!@[#6,#16] (932187, 'CHEMBL3073105', 51, 'Binding affinity to dopamine D2 receptor (unknown origin)') * postgresql://localhost/chembl_26 Mean nAts 27.5, mcs nAts: 15 [#6]1:&@[#6]:&@[#6,#7]:&@[#6](:&@[#6,#7]:&@[#6]:&@1)-&!@[#7]1-&@[#6]-&@[#6]-&@[#7](-&@[#6]-&@[#6]-&@1)-&!@[#6]-&!@[#6]-&!@[#6,#8] (587702, 'CHEMBL1037716', 51, 'Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:23:16] Aromatic bonds on non aromatic atom 0 RDKit INFO: [08:23:16] Aromatic bonds on non aromatic atom 0
Mean nAts 34.4, mcs nAts: 23 [#6]-&!@[#7]1:&@[#6]:&@[#6]2:&@[#6](:&@[#7]:&@1):&@[#7]:&@[#6](:&@[#7]1:&@[#6]:&@2:&@[#7]:&@[#6](:&@[#7]:&@1)-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#8]:&@1)-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]-&!@[#6,#8] (953474, 'CHEMBL2351085', 51, 'Displacement of [125I]-CX3CL1 from human CX3CR1 transfected in HEK293 cells after 24 hrs by scintillation counting analysis') * postgresql://localhost/chembl_26 Mean nAts 27.0, mcs nAts: 24 [#6,#8]-&!@[#6]-&!@[#6](-&!@[#6]-,=;!@[#8,#6,#7])-&!@[#7]-&!@[#6]1:&@[#7]:&@[#6](-&!@[#16,#8]-&!@[#6]-&!@[#6]2:&@[#6]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@[#6,#7]:&@2):&@[#7]:&@[#6]2:&@[#6]:&@1:&@[#16]:&@[#6](:&@[#7]:&@2)=,-;!@[#8,#7] (422416, 'CHEMBL909851', 51, 'Displacement of [3H]diprenorphine from human cloned mu opioid receptor expressed in CHO cells') * postgresql://localhost/chembl_26
RDKit ERROR: [08:23:47] Aromatic bonds on non aromatic atom 11 RDKit INFO: [08:23:47] Aromatic bonds on non aromatic atom 11
Mean nAts 27.1, mcs nAts: 19 [#6]1-&@[#6]-&@[#7]2-&@[#6]-&@[#6](-&!@[#6])-&@[#6](-&@[#6]-&@[#6]-&@2-&@[#6]-&@[#7,#6]-&@1)(-&!@[#6])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@1)-&!@[#8,#6] (610979, 'CHEMBL1070310', 51, 'Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cell membrane') * postgresql://localhost/chembl_26 Mean nAts 35.9, mcs nAts: 33 [#6]-&!@[#6](-&!@[#6])-&!@[#6]-&!@[#6](-&!@[#7]-&!@[#6](=&!@[#8])-&!@[#6]1:&@[#6]:&@[#6](-&!@[#6]-&!@[#8]-&!@[#6]2:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@2):&@[#6]:&@[#6]:&@[#6]:&@1-&!@[#6]-&!@[#6]-&!@[#6](=&!@[#8])-&!@[#8])-&!@[#6]1:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@[#6]:&@1 (1772842, 'CHEMBL4229834', 51, 'Displacement of [3H]-ketanserin from human 5-HT2AR expressed in CHO-K1 cell membranes after 1.5 hrs by microbeta counting method') * postgresql://localhost/chembl_26 Mean nAts 34.4, mcs nAts: 12 [#6]1-,:;@[#6,#7]-,:;@[#6,#7]-,:;@[#6]:&@[#6,#7]:&@[#6]:&@[#6](:&@[#6]:&@[#6,#7]-,:;@[#7,#6]-,:;@1)-&!@[#8,#6,#16]-,=;!@[#6,#7,#8] (613739, 'CHEMBL1068886', 51, 'Displacement of [3H]WIN-35428 from human recombinant DAT expressed in BacMam virus-transduced cells by scintillation proximity assay') * postgresql://localhost/chembl_26 Mean nAts 19.0, mcs nAts: 14 [#17]-&!@[#6]1:&@[#6]:&@[#6]:&@[#6](:&@[#6]:&@[#6]:&@1-&!@[#17])-&!@[#6]1-&@[#6]-&@[#7,#6]-&@[#6,#7]-&@[#6,#7]-&@[#6]-&@1
for i,row in enumerate(results):
ms = list(row[1])
row = (row[0],ms,row[2],row[3])
results[i] = row
import pickle
pickle.dump(results,open('../data/scaffolds_revisited_again.pkl','wb+'))
results = pickle.load(open('../data/scaffolds_revisited_again.pkl','rb'))
results[0]
((1528353, 'CHEMBL3706284', 98, "Radioligand Binding Assay: HEK293 stably expressing human orexin 2 receptor (Genebank accession numberNM_001526) were grown to confluency in DMEM (Hy ... (715 characters truncated) ... petition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity = 29.6 Ci/mmol)."), [('CHEMBL3704924', 'Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccc(F)cc3-n3nccn3)[C@H]2C)n1'), ('CHEMBL3704925', 'Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-c3ncccn3)[C@H]2C)n1'), ('CHEMBL3704926', 'Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3c(F)cccc3-n3nccn3)[C@H]2C)n1'), ('CHEMBL3704927', 'Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)[C@H]2C)n1'), ('CHEMBL3704928', 'Cc1cc(C)nc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)[C@H]2C)n1'), ('CHEMBL3704929', 'Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3nc(C)cc(C)n3)[C@@H]2C)c1'), ('CHEMBL3704930', 'Cc1ccc(-c2ncccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1'), ('CHEMBL3704931', 'Cc1ccc(-n2nccn2)c(C(=O)N2CCC[C@@H](Nc3cc(C)nc(C(F)(F)F)n3)[C@@H]2C)c1'), ('CHEMBL3704932', 'Cc1cc(N[C@@H]2CCCN(C(=O)c3cc(F)ccc3-c3ncccn3)[C@H]2C)nc(C(F)(F)F)n1'), ('CHEMBL3704933', 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tmp = []
for row in results:
tmp.append((row[0][1],row[2].smarts,str(row[2].numAtoms/row[2].avgNumMolAtoms.mean())))
with open('../data/scaffolds_revisited_again.txt','w+') as outf:
print('assay_chembl_id\tsmarts\tfraction_of_average_molecule_size',file=outf)
for row in tmp:
print('\t'.join(row),file=outf)
len(results)
367
The data is organized in a dictionary with one entry per paper.
The MCS_Report()
function defined above prints out the mean number of atoms per molecule in the input along with the size of the MCS. This is intended to help assess whether or not the MCS is actually a scaffold.
How many "scaffolds" do we have in total?
tbl = []
for row in results:
db,smis,tpl,svg = row
m = Chem.MolFromSmarts(tpl.smarts)
m.UpdatePropertyCache(False)
rdDepictor.Compute2DCoords(m)
#svg = moltosvg(m,kekulize=False)
tbl.append((db[0],tpl.numAtoms,tpl.avgNumMolAtoms.mean(),tpl.smarts,tpl.mcsTime))
df = pd.DataFrame(data=tbl,columns=('assay_id','numAtoms','avgNumMolAtoms','smarts','time'))
#PandasTools.RenderImagesInAllDataFrames(images=True)
df.head(5)
assay_id | numAtoms | avgNumMolAtoms | smarts | time | |
---|---|---|---|---|---|
0 | 1528353 | 18 | 30.676190 | [#8,#6,#7,#9]-&!@[#6]1:&@[#6,#7]:&@[#6]:&@[#6]... | 30.103430 |
1 | 1527605 | 15 | 18.164948 | [#7]-&!@[#6]1=&@[#7]-&@[#6](-&@[#6]-&@[#8]-&@1... | 0.049682 |
2 | 1537148 | 19 | 23.814433 | [#8]=&!@[#6](-&!@[#6]-&!@[#7,#8]-&!@[#6]1:&@[#... | 0.114761 |
3 | 1535508 | 27 | 32.147368 | [#6,#7,#8]-,=;!@[#6,#16](=,-;!@[#8,#6])-&!@[#7... | 0.473388 |
4 | 1547124 | 19 | 24.715789 | [#6]-&!@[#6]12-&@[#6]-&@[#6]-&@[#6]3-&@[#6](-&... | 4.220924 |
len(df)
367
How many are reasonably sized?
len(df[df.numAtoms>6])
357
How many make up a large percentage of the average molecule size?
len(df[df.numAtoms/df.avgNumMolAtoms>0.6])
205
Not bad! It's still worth looking at the ones that are super small:
df[df.numAtoms<=6]
assay_id | numAtoms | avgNumMolAtoms | mol | smarts | time | |
---|---|---|---|---|---|---|
93 | 219473 | 5 | 34.382353 | [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6] | 0.011775 | |
161 | 872705 | 5 | 16.116667 | [#7,#6]1-,:[#6,#7,#8]-,:[#6,#7,#8]-,:[#6,#7,#8]-,:[#6,#7,#8]-,:1 | 0.018745 | |
241 | 700655 | 0 | 11.785714 | 0.000230 | ||
250 | 700659 | 0 | 11.785714 | 0.000242 | ||
251 | 700658 | 0 | 11.785714 | 0.000235 | ||
252 | 700657 | 0 | 11.785714 | 0.000287 | ||
253 | 700656 | 0 | 11.785714 | 0.000229 | ||
279 | 411464 | 6 | 41.471698 | [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 | 0.058937 | |
316 | 835846 | 6 | 13.538462 | [#6,#5,#7,#8,#16,#17,#35]-[#7,#6]1:,-[#6,#7,#16]:,-,=[#6,#7,#16]:,-[#7,#6]:,-,=[#7,#6]:,-1 | 0.022784 | |
325 | 344235 | 5 | 17.339623 | [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6,#7] | 0.006560 | |
326 | 344236 | 5 | 17.339623 | [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6,#7] | 0.007446 |
We can also render those better:
d = %sql postgresql://localhost/chembl_23 \
select * from (\
select assay_id,count(distinct(molregno)) cnt,description \
from activities join assays using(assay_id) \
where standard_type = 'Ki' and confidence_score=9 and assay_type='B' and relationship_type='D' \
group by (assay_id,description) order by cnt desc) tmp \
where cnt<50 and cnt>20;
print(len(d))
2885
results = []
for i,row in enumerate(d):
assay_id=row[0]
print('Row:',i+1,row[-1])
smis = %sql \
select molregno,m from activities join rdk.mols using (molregno) where assay_id = :assay_id
ms = [Chem.MolFromSmiles(y) for x,y in smis]
tpl,svg=MCS_Report(ms,threshold=0.9,completeRingsOnly=True)
results.append((row,smis,tpl,svg))
Row: 1 Displacement of [3H]PSB0413 from human platelet P2Y12 receptor * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 18 [#6,#8,#16]-[#6]1:,-[#6]:,-[#6](-[#8,#7]):,-[#6]2:[#6](:,-[#6]:,-1)-,:[#6](=,-[#8,#6])-,:[#6]1:,-[#6]:,-[#6]:[#6]:,-[#6]:,-[#6]:1-,:[#6]-,:2=,-[#8] Row: 2 Displacement of [125I]RTI55 from human DAT expressed in COS1 cell membrane * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 7 [#6]-[#6]1=,-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6,#7]-,:[#6]-,:1 Row: 3 Displacement of [3H]ZM-241385 from human adenosine A2a receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6,#7]:[#7]:[#7,#6](:[#6]:3)-[#6,#7]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 4 Binding affinity to human factor 10a after 10 mins * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 26 [#6]1:,-[#6]:,-[#6](-[#17,#6]):,=[#6](:,-[#16]:,-1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#17] Row: 5 Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 31 [#6,#7,#8]-,=,#[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1-[#6]-[#7](-[#6](-[#6])-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 6 Binding affinity to human thrombin after 10 mins * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 26 [#6]1:,-[#6]:,-[#6](-[#17,#6]):,=[#6](:,-[#16]:,-1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#17] Row: 7 Displacement of biotinylated phosphatidylinositol-3,4,5-phosphate from mouse AKT1 PH domain by surface plasmon resonance competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6]:[#16]:1 Row: 8 Displacement of [3H]diprenorphine from human MOP receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 21 [#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 9 Displacement of [3H]diprenorphine from human DOP receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 21 [#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 10 Displacement of [3H]diprenorphine from human KOP receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 21 [#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 11 Displacement of [125I]-IL8 from human CXCR2 transfected in HEK293 cells after 4 hrs by microbeta counting analysis * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 24 [#6,#8]-[#6]-[#6](-[#6]-,=[#8,#6,#7])-[#7]-[#6]1:[#7]:[#6](-[#16,#8]-[#6]-[#6]2:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:2):[#7]:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)=,-[#8,#7] Row: 12 Displacement of [3H]neurokinin A from human NK2 receptor * postgresql://localhost/chembl_23 Mean nAts 44.4, mcs nAts: 23 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1(-[#6](=[#8])-[#7]-[#6](-[#6]-,=[#6,#7,#8]-[#6,#7])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-1 Row: 13 Displacement of [125I]RTI55 from human SERT expressed in COS1 cell membrane * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 7 [#6]-[#6]1=,-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6,#7]-,:[#6]-,:1 Row: 14 Displacement of [3H]CP-55,940 from CB2 receptor (unknown origin) after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 17 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6]-[#6])-[#6]-[#6])-[#16,#6](=,-[#8,#6])-,=[#6,#8] Row: 15 Displacement of [125I]RTI55 from human NET expressed in COS1 cell membrane * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 7 [#6]-[#6]1=,-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6,#7]-,:[#6]-,:1 Row: 16 Displacement of [3H]-MPEP from human mGluR5 expressed in HEK293 cells after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6,#7]:1)-[#6]#[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6,#7]:1 Row: 17 Inhibition of [3H]LSD binding to human 5-hydroxytryptamine 6 receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 25 [#8]=[#16](=[#8])(-[#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6]1-[#6,#7]-[#6]-[#6]-[#7,#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 18 Inhibition of GST-tagged human recombinant wild type LRRK2 using fluorescein- ERM as substrate after 1 hr by TR-FRET assay * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 17 [#6]-[#16,#6,#7,#8]-[#6]1:[#16]:[#6](-[#6]2:[#6,#7]:[#6]:[#7,#6]:[#7,#16]:2):[#6]2:[#6]:1-[#6](=[#8])-[#7,#6]-[#6]-[#6]-2 Row: 19 Inhibition of [125I]Tyr-o-CRF binding to Corticotropin releasing factor receptor 1 expressed in IMR-32 human neuroblastoma cells * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 21 [#9]-[#6](-[#9])(-[#9])-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6](-[#17]):[#6]:[#6](:[#6]:[#6]:2-[#17])-[#17]):[#16]:[#6]:1-[#6]-[#7] Row: 20 Inhibition of human recombinant TACE * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 11 [#8,#7]-,=[#6](=,-[#8,#7])-[#6]1(-[#6])-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#8] Row: 21 Displacement of [3H]DHT from human androgen receptor after 16 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 19 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#6]-[#6](-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6,#8,#9])-[#6] Row: 22 Displacement of [3H]WIN35428 from human recombinant DAT transfected in HEK293 cell membrane * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 19 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 23 Inhibitory activity against papain using Z-Phe-Arg-NHNp substrate * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6]-[#6,#7](-[#7]-[#6](=,-[#8,#6])-,=[#8,#6])-[#6](=[#8])-[#7]-[#6]-[#6]#,-,=[#7,#6,#8] Row: 24 Inhibitory activity against bovine cathepsin L using Z-Phe-Arg-NHMec substrate * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6]-[#6,#7](-[#7]-[#6](=,-[#8,#6])-,=[#8,#6])-[#6](=[#8])-[#7]-[#6]-[#6]#,-,=[#7,#6,#8] Row: 25 Inhibitory activity against human cathepsin S using Z-Val-Val-Arg-NHMec substrate * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6]-[#6,#7](-[#7]-[#6](=,-[#8,#6])-,=[#8,#6])-[#6](=[#8])-[#7]-[#6]-[#6]#,-,=[#7,#6,#8] Row: 26 Inhibitory activity against human cathepsin K using Z-Leu-Arg-NHMec substrate * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6]-[#6,#7](-[#7]-[#6](=,-[#8,#6])-,=[#8,#6])-[#6](=[#8])-[#7]-[#6]-[#6]#,-,=[#7,#6,#8] Row: 27 Displacement of [125I]-sauvagine from human CRF-1 receptor expressed in human IMR-32 cells after 2 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 20 [#6,#7,#8]-[#6]-[#6]-[#7,#6,#8,#16]-[#6]1:[#7]:[#6](-[#6,#8]):[#6](:[#7]:[#6]:1-[#6,#8,#9,#17,#53])-[#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1-[#17,#6,#7,#8])-[#17,#6,#8] Row: 28 Inhibitory constant against Leishmania major deoxyuridine 5'-triphosphate nucleotidohydrolase * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 18 [#6,#7,#8]-,=[#6,#14,#15,#16](=,-[#8,#6])-[#8,#7,#14]-[#6,#8]-[#6]1-[#8,#6]-[#6](-[#7]2:[#6]:[#6]:[#6](:[#7]:[#6]:2=[#8])=[#8])-[#6,#8]-,=[#6]-1 Row: 29 Binding affinity to bovine adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 24 [#6]-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#7]:[#7]:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 30 Displacement of [3H]CP-55,940 from CB1 receptor (unknown origin) after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 17 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6]-[#6])-[#6]-[#6])-[#16,#6](=,-[#8,#6])-,=[#6,#8] Row: 31 Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 18 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 32 Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membranes after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 18 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 33 Displacement of [3H]histamine from human histamine H4 receptor * postgresql://localhost/chembl_23 Mean nAts 19.3, mcs nAts: 9 [#7]-[#6]1:[#6,#7]:[#6](-[#7]):[#7,#6]:[#6](:[#7,#6]:1)-[#7] Row: 34 Binding affinity for HIV-1 protease enzyme was measured by using fluorescent peptide substrate * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 28 [#6]-[#6]-[#7]1-[#6](=[#8,#7])-[#7](-[#6]-[#6])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8])-[#8] Row: 35 BindingDB_Patents: Radioligand Binding Assay. The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably transfected with hDRD2 receptor, as follows. The cDNA coding sequence of hDRD2 (GenBank accession No. X51362) was subcloned into the mammalian expression vector pcDNA3.1/GS (Life Technologies). Clonal cell lines stably expressing hDRD2 were obtained by transfection into CHO-K1 cells and subsequently selected with culture medium containing 0.3 mg/mL of zeocin (Life Technologies).Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing hDRD2 were homogenized in ice-cold buffer with 10 mM Tris-HCl, 5 mM EDTA, 3 mM EGTA, 1 mM phenylmethylsuphonyl fluoride, pH 7.6 using Polytron PT10-35GT (Kinematica) at 18,000 rpm for 30 seconds and centrifuged at 500xg for 10 minutes. The supernatant containing the plasma membranes was centrifuged at 100,000xg for 30 minutes and the pellet was resuspended. * postgresql://localhost/chembl_23 Mean nAts 114.3, mcs nAts: 87 [#6]-[#6](-[#8])-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6]:2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6](-[#6](-[#7]-[#6](-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#7]-[#6]-[#6]-[#6,#7,#16]-,=[#6,#7,#8,#16])=[#8])-[#6]-[#6]-[#6]-[#7]-[#6](=[#7])-[#7])=[#8] Row: 36 Displacement of [125I]RTI55 from DAT in rat brain synaptosomes * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 26 [#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 37 Inhibition of human alpha-thrombin using tPa (CH3SO2-D-Cha-Gly-Arg-pNA.AcOH) as chromogenic substrate by kinetic photometric assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 18 [#6,#7]-[#6,#7]-[#6]-[#7,#6]1-[#6]-[#6]-[#6]-[#6,#7]-1-[#6](=[#8])-[#7,#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 38 Displacement of [125I]neurokinin A from human NK2 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 52.4, mcs nAts: 42 [#8]=[#6]1-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6](-[#6](-[#7]-[#6](-[#6]-[#7]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 39 Displacement of [125I]DOI from human recombinant 5HT2C expressed in HEK293E cells * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 15 [#8]=[#6]1-[#6]2:[#6](-[#8,#6,#9,#16,#17]):[#6]:[#6]:[#6]:[#6]:2-[#6]2-[#7]-1-[#6]-[#6]-[#7]-[#6]-2 Row: 40 Displacement of [3H]LSD from human recombinant 5HT2B expressed in HEK293E cells * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 15 [#8]=[#6]1-[#6]2:[#6](-[#8,#6,#9,#16,#17]):[#6]:[#6]:[#6]:[#6]:2-[#6]2-[#7]-1-[#6]-[#6]-[#7]-[#6]-2 Row: 41 Displacement of [125I]DOI from human recombinant 5HT2A expressed in HEK293E cells * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 15 [#8]=[#6]1-[#6]2:[#6](-[#8,#6,#9,#16,#17]):[#6]:[#6]:[#6]:[#6]:2-[#6]2-[#7]-1-[#6]-[#6]-[#7]-[#6]-2 Row: 42 Displacement of [3H]LSD from human cloned 5-HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 25 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#7]:2-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 43 Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 22 [#8,#6]=,-[#6]1:[#6,#7]:[#6](-[#6]2:[#6,#7]:[#6]:[#7]:[#6](:[#7,#6]:2)-[#7]-[#6]):[#6]:[#6,#7]:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 44 Displacement of [125I]RTI55 from SERT in rat brain synaptosomes * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 26 [#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 45 Inhibition of human Poly (ADP-ribose) polymerase 1 enzyme * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 14 [#8]=[#6]1-[#7]-[#6]-[#6]-[#7]2:,-[#6]3:[#6]-1:[#6]:[#6]:[#6]:[#6]:3:,-[#6]:,-[#6]:,-2 Row: 46 Inhibition of human PPO by capillary electrophoresis method * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 24 [#6,#8]#,-[#6,#8]-[#6]-[#16]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#7]3:[#7]:[#6](-[#6](-[#6])(-[#6])-[#6]):[#16,#8]:[#6]:3=[#8]):[#6](:[#6]:[#6]:2:[#16]:1)-[#9,#17,#35] Row: 47 Inhibitory concentration against Bacillus subtilis DNA polymerase IIIC using [3H]dTMP 250 pM (30 degree C for 10 min) * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 22 [#6]-[#6]-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6]:[#6](=[#8]):[#7](:[#6](:[#7]:2)=[#8])-[#6]-[#6,#7]-,=,#[#6,#8]-[#8,#6,#7]):[#6]:[#6]:[#6]:1-[#6] Row: 48 Displacement of [3H]SCH-23390 from rat dopamine D1 receptor * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#6,#8]-,=[#6,#7]1:,-[#6]:,-[#6]:,-[#6]2:[#6](:,-[#6]:,-1)-,:[#6]:,-[#6,#7]-,:[#6,#7]-,:[#6]-,:2 Row: 49 Inhibition of human ERAP2 preincubated for 30 to 60 mins followed by addition of Arg-AMC as substrate measured for 15 mins by spectrofluorimetric method * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 9 [#6]-[#7,#6]-[#6]-[#6](-[#7])-[#15](=,-[#8,#6])(-,=[#8])-[#8,#6] Row: 50 Inhibition of human recombinant cathepsin S expressed in baculovirus by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 33 [#6]-[#6]-[#6]1-[#8]-[#6]-[#6](-[#6]-1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1(-[#6])-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6]:1)-[#7]-[#16](-,=[#6,#8])(=[#8])=,-[#8,#6,#7])=[#8] Row: 51 Displacement of [3H]SCH-58261 from human adenosine A2A receptor expressed in HEK cell membranes after 60 mins by microplate scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 21 [#7]-[#6]1:[#7,#6]:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]2:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 52 Displacement of [125I]urotensin 2 from urotensin 2 receptor in human RMS13 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 42.1, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6]-[#7]1-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#6]-1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 53 Displacement of [3H]LSD from human recombinant 5HT2B receptor stably expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 17 [#7,#6,#16]=,-[#6,#7]1-,=[#7,#6]-[#6,#7](=,-[#8,#6])-[#6](-[#7,#6]-1)=[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 54 Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 55 Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 56 Inhibition of Helicobacter pylori recombinant carbonic anhydrase by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 57 Inhibition of rat FAAH * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#7]:[#6,#7]:[#6,#7]:[#8,#7,#16]:1 Row: 58 Binding affinity to factor 7a * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 33 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6](-[#6](-[#6]-[#6](=[#8])-[#8])-[#6](=[#8])-[#8]):[#6]:[#6](:[#6]:1-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 59 Displacement of Flu-BID/FAM-BID from His-tagged MCL1 (171 to 327) (unknown origin) expressed in Escherichia coli BL21(DE3) after 3 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 18 [#6,#8]-,=[#16,#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6](-[#16,#6]-[#6]-[#6]):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#8] Row: 60 Inhibition of fluorescently labeled VER51001 binding to full length human HSP90beta after 30 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 19 [#6]-[#16,#6,#7,#8]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#6,#17])-[#9,#6,#8,#17]):[#6]2:[#6](:[#7]:1):[#7]:[#6,#7]:[#6,#7]:2 Row: 61 Inhibition of human recombinant cathepsin K expressed in baculovirus by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 33 [#6]-[#6]-[#6]1-[#8]-[#6]-[#6](-[#6]-1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1(-[#6])-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6]:1)-[#7]-[#16](-,=[#6,#8])(=[#8])=,-[#8,#6,#7])=[#8] Row: 62 Displacement of [3H](+)-pentazocine from human sigma 1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 10 [#7,#6]-[#6,#7]-[#6]-[#7,#8]-[#6]1:[#6,#7]:[#7,#6](-[#6]):[#7,#6]:[#7,#6]:1 Row: 63 BindingDB_Patents: Radioligand Binding Assay. HEK293 stably expressing human orexin 2 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1x Pen/Strep, 1x NaPyruvate, 10 mM HEPES, 600 ug/ml G418 media on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2Kx G, 5 min at 4x C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. Each cell pellet from a 15 cm plate was resuspended in 10 mL, stored on ice, and homogenized for 45 sec just prior to addition to the reactions. Competition binding experiments in 96 well polypropylene plates were performed using [3H]-EMPA (Moraveck Corporation, specific activity=29.6 Ci/mmol). * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 24 [#8]=[#6](-[#6]1:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:1-[#35,#6,#7,#8])-[#7]1-[#6]-[#6]2-[#6]-[#6](-[#6]-1-[#6]-2)-[#8,#7]-[#6]1:[#6]:[#6,#7]:[#6](:[#6]:[#7]:1)-[#6,#35] Row: 64 Displacement of [125I]-alpha-bungarotoxin from alpha7 nAChR in rat brain membrane after 3 hrs * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 19 [#6](=,-[#6]1-[#6]-[#6]-[#6]-[#7]=[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 65 Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (DE3) by pyruvate kinase/lactate dehydrogenase-coupled assay * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 23 [#7]-[#6]-[#6]-[#16,#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 66 Inhibition of human ERAP1 preincubated for 30 to 60 mins followed by addition of Leu-AMC as substrate measured for 15 mins by spectrofluorimetric method * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 9 [#6]-[#7,#6]-[#6]-[#6](-[#7])-[#15](=,-[#8,#6])(-,=[#8])-[#8,#6] Row: 67 Inhibitory activity against HIV protease * postgresql://localhost/chembl_23 Mean nAts 38.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]1-[#6,#7](-,=[#8,#6])-[#6,#7](-[#8,#6])-[#6,#7](-[#6,#8])-[#7,#6](-[#6,#7](-[#7,#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=,-[#8,#6])-,=[#6,#8] Row: 68 Displacement of [125I]-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 27 [#8]-[#6](-[#6]-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#16,#6]:[#6]:[#6,#16]:2)-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 69 Inhibition of mouse recombinant iNOS * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 15 [#6]-[#7,#8]-[#6]1-[#6]-[#7]-[#6]-[#6]-1-[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#6](:[#7,#6]:1)-[#7,#6] Row: 70 Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 18 [#6]-,=[#6,#8]-[#7,#6]-[#6,#7]-[#6](-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9,#8])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 71 Displacement of [3H]methyllycaconitine from Sprague-Dawley rat brain alpha7 nAChR after 120 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 20.4, mcs nAts: 10 [#8,#6]=,-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6](:,-[#7,#6]:,-1)-[#6]-[#6,#7]-[#7,#6] Row: 72 Inhibitory constant against human deoxyuridine 5'-triphosphate nucleotidohydrolase expressed in Escherichia coli BL21 (DE3) cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 18 [#6,#7,#8]-,=[#6,#14,#15,#16](=,-[#8,#6])-[#8,#7,#14]-[#6,#8]-[#6]1-[#8,#6]-[#6](-[#7]2:[#6]:[#6]:[#6](:[#7]:[#6]:2=[#8])=[#8])-[#6,#8]-,=[#6]-1 Row: 73 Inhibition of human cathepsin L by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 33 [#6]-[#6]-[#6]1-[#8]-[#6]-[#6](-[#6]-1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1(-[#6])-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6]:1)-[#7]-[#16](-,=[#6,#8])(=[#8])=,-[#8,#6,#7])=[#8] Row: 74 BindingDB_Patents: Radioligand Binding Assay. Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2Kx G, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 24 [#8]=[#6](-[#6]1:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:1-[#35,#6,#7,#8])-[#7]1-[#6]-[#6]2-[#6]-[#6](-[#6]-1-[#6]-2)-[#8,#7]-[#6]1:[#6]:[#6,#7]:[#6](:[#6]:[#7]:1)-[#6,#35] Row: 75 BindingDB_Patents: Inhibition Assay. Inhibition assay using matriptase enzyme * postgresql://localhost/chembl_23 Mean nAts 41.4, mcs nAts: 30 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7,#6]-[#6]-[#6]-1 Row: 76 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 60 mins by microplate scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 21 [#7]-[#6]1:[#7,#6]:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]2:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 77 Displacement of (S)-4-(2,4-difluorophenyl-3-tritio) -4,5-dihydro-2-oxazolamine from human TAAR1 receptor expressed in HEK293 cells after 90 mins by beta counting analysis * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 8 [#6,#7]1:,-[#6]:[#6,#7]:,-[#6,#7](:,-[#6,#7]:,-[#6]:,-1)-[#6,#7,#8,#16]-[#6,#7,#9] Row: 78 Inhibition of human glutaminyl cyclase expressed in Pichia pastoris by pGAP coupled enzyme assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 10 [#6,#7]-[#7,#6]=,-[#6]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 79 Displacement of [3H]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells * postgresql://localhost/chembl_23 Mean nAts 40.5, mcs nAts: 29 [#6]-[#7]1-[#6](=[#8])-[#7,#6](-[#6,#7]-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]=[#6](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6,#7]-,:1 Row: 80 Displacement of [3H]N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 22 [#17,#6,#7,#35]-[#6]1:[#6,#7]:[#6,#7]:[#6]2:[#6](:[#7,#6]:1):[#16]:[#6](:[#7]:2)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 81 Inhibition of mouse TAAR1 * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 18 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#17,#6,#8,#9,#35])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6,#7,#8,#9,#16,#35])-[#17,#7,#9,#16,#35] Row: 82 Inhibition of rabbit skeletal muscle glycogen phosphorylase b assessed as inorganic phosphate release * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 15 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#7]-[#6]1-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 83 Inhibition of dihydrofolate reductase (DHFR) from Leishmania major * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 18 [#6,#7,#8,#9,#16,#34]-,=,#[#6,#7,#8,#16]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]1-[#6](-[#7])=[#7]-[#6](=[#7]-[#6]-1(-[#6])-[#6])-[#7] Row: 84 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 34.7, mcs nAts: 28 [#6]-[#6](-[#6](=[#8])-[#7](-[#6])-[#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-1=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#17] Row: 85 Inhibition of His6-MBP tagged recombinant human Mcl-1 residues 172 to 327 expressed in Escherichia coli assessed as inhibition of interaction with Bak BH3 peptide (GQVGRQLAIIGDDINR) after 3 hrs by fluorescence polarization competition assay * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 19 [#6]-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6](-[#6](=,-[#8])-,=[#8]):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#8] Row: 86 Binding affinity against adenosine A1 receptor using N6-[3H]cyclohexyladenosine as radioligand in guinea pig forebrain membranes * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 12 [#7,#6](:[#6,#7]):[#6,#7]:[#7,#6](:[#6]1:[#7,#6]:[#6,#7](:[#7,#6]:[#6,#7]:1)-[#6])-[#6,#7]-[#6] Row: 87 Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 7 [#7,#6]-[#6,#7]1-,:[#6]-,:[#6,#8]-,:[#7,#6]-,:[#6,#7]-,:[#6,#16]-,:1 Row: 88 Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 7 [#7,#6]-[#6,#7]1-,:[#6]-,:[#6,#8]-,:[#7,#6]-,:[#6,#7]-,:[#6,#16]-,:1 Row: 89 Inhibition of human BACE1 using QSY7EISEVNLDAEFC-Eu-amide as substrate incubated for 30 mins prior to substrate addition measured after 90 mins by FRET analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 21 [#6]-[#7]1-[#6](=[#7])-[#7]-[#6](-[#6]-1=[#8])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:1 Row: 90 Displacement of [3H]progesterone from human progesterone receptor B after 16 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 24 [#8,#6,#7,#9]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 91 Inhibition of human carbonic anhydrase 2-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 11 [#7,#6]-,=[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6] Row: 92 Inhibition of human carbonic anhydrase 1-catalyzed CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 11 [#7,#6]-,=[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6] Row: 93 Inhibition of human recombinant PTP1B * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 22 [#6,#16]-[#8,#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#16]:[#6](-[#6](=[#8])-[#8]):[#6](:[#6]:1-[#35,#6,#17])-[#8]-[#6]-[#6](=[#8])-[#8] Row: 94 In vitro binding affinity against C-C chemokine receptor type 3 expressing in rat Y3 cell line * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 22 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 95 Inhibitory constant against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 36 [#6]-[#6]-[#8,#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7,#16]-[#6])-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#8,#6,#7]-[#6,#8]-[#6])-[#6])-[#6](-[#6])-[#6] Row: 96 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 14 [#6,#9,#16,#17]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#8,#6,#16]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:1 Row: 97 BindingDB_Patents: Lanthascreen Binding Assay. This assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together. Binding of the Alexa Fluor tracer to a kinase was detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 22 [#6]-[#7]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#8,#17])-[#6,#7]2:[#6,#7]:[#7,#6]:[#8,#6,#7]:[#6,#7,#8]:2):[#7]:[#6]:[#6]:1-[#17,#6] Row: 98 Displacement of [3H]DPCPX from bovine cerebral cortex adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 24 [#6]-[#7]-[#6]1:[#7,#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#7]:[#7]:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 99 Inhibition of dihydrofolate reductase (DHFR) from Pneumocystis carinii. * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 16 [#6]-[#6]1(-[#6])-[#7]=[#6](-[#7])-[#7]=[#6](-[#7]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7] Row: 100 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells after 1 hr by microbeta scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 14 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#6,#7]:[#6]:[#7]:2-[#6] Row: 101 Displacement of [125I]NKA from human NK2 expressed in CHO-K1 cells * postgresql://localhost/chembl_23 Mean nAts 41.5, mcs nAts: 31 [#6,#7]-[#8,#6,#7]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16]:1 Row: 102 BindingDB_Patents: Radioligand Binding Assay. The compounds of the present invention inhibit the binding of PGD2 to its receptor CRTH2. The inhibitory activity can be investigated by a radioligand binding assay (Sawyer et al., Br. J. Pharmocol 2002, 137, 1163-72). The radioligand binding assay was performed at room temperature in binding buffer (10 mM HEPES/KOH pH 7.4, mM MnCl2, with protease inhibitor cocktail tablets), containing 1.5 nM [3H]PGD2 (Amersham, 156 Cie/mmol), and 10 ug of hCRTH2 HEK293 (EBNA) cell membrane protein in a final volume of 100 ul in 96 well plates (Corning, USA). Non-specific binding was determined in the presence of 1 uM PGD2 (Cayman, USA). Competing pyrazine sulfonamides were diluted in dimethylsulphoxide so that the total volume of dimethylsulfoxide was kept constant at 1% dimethylsulphoxide (Me2SO). 10 ul of the pyrazine sulfonamides were added. Incubation (60 min at room temperature) was terminated by rapid filtration through 96 wells hydrophobic GF/C Unifilter plates. * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 24 [#7,#6,#8]-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]1:[#7]:[#6]:[#6]:[#7]:[#6]:1-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 103 Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 20 [#6]1(-[#6]-[#6]-[#6]-[#6]-[#7]2-[#6]-[#6]-,=[#6,#7]-,:[#6]-[#6]-2)-[#6](=[#8])-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 104 Inhibition of human thymidylate synthase A * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 11 [#8,#6,#7,#16]=,-[#6]1-,:[#8,#6]-,:[#6]-,:[#6]:[#6]2:[#6]-,:1:[#6]:[#6]:[#6]:[#6]:2 Row: 105 Binding affinity for human 5-hydroxytryptamine 6 receptor * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 8 [#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7](:,-[#6,#7]:,-[#6,#7]:,-1)-[#16,#7,#8]=,-[#8,#6,#7,#16] Row: 106 Inhibition of mouse Oat1-mediated [3H]PAH uptake in Xenopus oocytes after 1 hr * postgresql://localhost/chembl_23 Mean nAts 14.2, mcs nAts: 5 [#6,#7,#8]-,=[#6,#7,#8]-[#6,#7,#16](=,-[#8,#6])-,=[#8,#6,#16] Row: 107 Inhibition of mouse Oat6-mediated [3H]ES uptake in Xenopus oocytes after 1 hr * postgresql://localhost/chembl_23 Mean nAts 14.2, mcs nAts: 5 [#6,#7,#8]-,=[#6,#7,#8]-[#6,#7,#16](=,-[#8,#6])-,=[#8,#6,#16] Row: 108 Inhibition of purified His6-tagged recombinant human HPPD assessed as inhibition of maleylacetoacetate formation after 30 mins by UV/visible spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 27 [#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6](=[#8])-[#6]1:[#6]:[#7]:[#7](:[#6]:1-[#8])-[#6] Row: 109 Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in Flp-IN HEK cells * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 17 [#7,#6,#16]=,-[#6,#7]1-,=[#7,#6]-[#6,#7](=,-[#8,#6])-[#6](-[#7,#6]-1)=[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 110 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 21 [#8,#6,#7]-[#6]1(-[#6,#8])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 111 Displacement of [125I][Tyr14]nociceptin from human cloned NOP receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 21 [#8,#6,#7]-[#6]1(-[#6,#8])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 112 Inhibition of bovine brain mitochondrial MAO-A by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 9 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 113 Inhibition of bovine brain mitochondrial MAO-B by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 9 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 114 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 32.6, mcs nAts: 21 [#6]-[#6](-[#6](=[#8])-[#7]-[#6,#7]1:[#7,#6,#16]:[#7,#6]:[#6,#7,#16]:[#16,#6,#7]:1)-[#6](-[#6])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):,-[#6]:,=[#7]:,-[#7,#6]:,-2 Row: 115 Displacement of [125I-Tyr13]MCH from human MCHR1 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 40.5, mcs nAts: 30 [#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#6,#7,#8,#9,#16,#17])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#7] Row: 116 Displacement of [3H]-LSD from cloned human 5-HT6 receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 18 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 117 Inhibition of recombinant human AChE * postgresql://localhost/chembl_23 Mean nAts 15.8, mcs nAts: 6 [#6,#8]-[#6,#7]1:,-[#6,#8]:,-[#6]:[#7,#6,#8]:,-[#8,#6,#7]:,-1 Row: 118 Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum after 15 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#6](=[#8]):,-[#8]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-,=[#6]-[#6,#7] Row: 119 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat cerebral cortex after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#6](=[#8]):,-[#8]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-,=[#6]-[#6,#7] Row: 120 Displacement of [3H]ketanserin from 5HT2A receptor in rat cerebral cortex after 15 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#6](=[#8]):,-[#8]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-,=[#6]-[#6,#7] Row: 121 Inhibitory constant against human Carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 9 [#7,#6,#8]-[#16,#6,#7]-[#6]1:,-[#6,#7]:[#6,#7]:,-[#6,#7,#16]:,-[#6,#7](:,-[#6,#7]:,-1)-[#16,#6,#7,#8] Row: 122 Inhibitory constant against human Carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 9 [#7,#6,#8]-[#16,#6,#7]-[#6]1:,-[#6,#7]:[#6,#7]:,-[#6,#7,#16]:,-[#6,#7](:,-[#6,#7]:,-1)-[#16,#6,#7,#8] Row: 123 Displacement of rhodamine-green labelled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl}methyl)amino]carbonyl}benzoic acid from human GST-tagged p38alpha by fluorescence polarisation assay * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 20 [#6,#7,#8,#9,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#7,#6])-[#6,#7]-[#7,#6]-,=[#6,#8] Row: 124 Binding affinity to human neuropeptide Y receptor type 4 receptor expressed in CHO cells using Cy5-[K4]-hPP by flow cytometric analysis * postgresql://localhost/chembl_23 Mean nAts 80.8, mcs nAts: 35 [#7]=,-[#6](-,=[#7,#8])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6] Row: 125 Displacement of [3H]methylscopolamine from recombinant human muscarinic M3 receptors expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 12 [#6,#7]1:[#6](-[#7]-[#6]2-[#6]-[#6]-2):[#7,#6]:[#6](:[#7]:[#6]:1-[#7,#6])-[#6,#7] Row: 126 Displacement of [3H]ZM-241385 from human recombinant adenosine A2B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 127 Binding affinity to human neuropeptide Y receptor type 5 receptor expressed in HEC-1B cells using Cy5-pNPY by flow cytometric analysis * postgresql://localhost/chembl_23 Mean nAts 80.8, mcs nAts: 35 [#7]=,-[#6](-,=[#7,#8])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6] Row: 128 Inhibition of recombinant cathepsin-L (unknown origin) using Z-Phe-Arg-AMC as substrate by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 21 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](-[#7])=[#8] Row: 129 Inhibition of recombinant cathepsin-B (unknown origin) using Z-Arg-Arg-AMC as substrate by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 21 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](-[#7])=[#8] Row: 130 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 27 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#7,#6]:2 Row: 131 Inhibition of [125I]NDP-MSH (radioligand) binding to the hMC4R stably expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 41.0, mcs nAts: 34 [#6,#7,#8]-,=[#6]-[#7]-[#6]-[#6]1(-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#17])-[#7]-[#6](=[#8])-[#6]-[#6]-[#7])-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 132 Binding affinity to human neuropeptide Y receptor type 2 receptor expressed in CHO cells using Cy5-pNPY by flow cytometric analysis * postgresql://localhost/chembl_23 Mean nAts 80.8, mcs nAts: 35 [#7]=,-[#6](-,=[#7,#8])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6] Row: 133 Displacement of [3H]-U-69,593 from Opioid receptor kappa 1 in guinea pig cerebellar. * postgresql://localhost/chembl_23 Mean nAts 48.3, mcs nAts: 38 [#6](-[#7]-[#6](=[#8])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6]-[#7]1-[#6]-[#6]-[#6]2(-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])-[#6])-[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#6,#7]-[#6,#7]-,=[#7,#6] Row: 134 Binding affinity to human P2Y1 receptor * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 28 [#6]1:[#6]:[#6](-[#8]-[#6]2:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6]:2-[#7]-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:2):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:1 Row: 135 Displacement of Thio-T from recombinant alpha-synuclein (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 12 [#8]=[#6]1-[#7,#6]-[#6]2:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:2-[#6,#7]-1=,-[#6]-[#6] Row: 136 Displacement of Thio-T from amyloid beta (1 to 42) (unknown origin) expressed in Escherichia coli after 1.5 hrs by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 12 [#8]=[#6]1-[#7,#6]-[#6]2:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:2-[#6,#7]-1=,-[#6]-[#6] Row: 137 Displacement of Thio-T from human recombinant tau (243 to 375) expressed in Escherichia coli BL21(DE3)RIL after 1.5 hrs by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 12 [#8]=[#6]1-[#7,#6]-[#6]2:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:2-[#6,#7]-1=,-[#6]-[#6] Row: 138 Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay * postgresql://localhost/chembl_23 Mean nAts 20.8, mcs nAts: 10 [#6]-[#6]1:[#6](-[#17,#7]):[#7]:[#6](:[#7]:[#6]:1-[#17,#7])-[#6,#8] Row: 139 Binding affinity towards human serum albumin * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 9 [#8,#6,#7]=,-[#6,#7,#16](-,=[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 140 Inhibition of human recombinant CA1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 12 [#7,#6,#8]-[#16,#6,#8]-[#6]1-[#8]-[#6](-[#6,#7,#8,#16])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 141 Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 14 [#8,#17,#35]-[#6]1:[#6]:[#6](-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]):[#6]:[#6]:[#6]:1-[#8,#7] Row: 142 Inhibitory constant against human Carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 11 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 143 Affinity for human EMP expressed in ERG2 deficient strain of Saccharomyces cerevisiae using [3H]ifenprodil or (+)-[3H]pentazocine as radioligand * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 7 [#6,#7,#8,#17]-,=[#7,#6]1-,=,:[#6]-,=,:[#6]-,:[#6,#7,#8]-,:[#6,#7]-,:[#6]-,:1 Row: 144 Inhibition of human recombinant CA2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 12 [#7,#6,#8]-[#16,#6,#8]-[#6]1-[#8]-[#6](-[#6,#7,#8,#16])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 145 Binding affinity to adrenergic alpha1A receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 8 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-,=[#6]:,-1)-[#8,#6]-,#[#6,#7,#8] Row: 146 Inhibition of binding to human D5 receptor expressed in HEK 293 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 6 [#6,#7]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-1 Row: 147 Inhibition of human carbonic anhydrase I by spectrophotometry at pH 7.5 * postgresql://localhost/chembl_23 Mean nAts 16.6, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 148 Binding affinity towards adenosine A2a receptor of rat brain homogenates using [3H]ZM-241385 compared to SCH-58261 (Ki=37 nM) * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 16 [#7]-[#6]1:[#7]:[#6](-[#6]):[#6]:[#7]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 149 Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 39.8, mcs nAts: 32 [#6,#7,#8]-,=[#6]-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 150 Displacement of [3H]-methyllysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 17 [#6]1-[#6]=,-[#7,#6]-[#7](-[#6,#7]-,=1)-[#6](-[#7])=[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 151 Inhibition of human carbonic anhydrase II by spectrophotometry at pH 7.5 * postgresql://localhost/chembl_23 Mean nAts 16.6, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 152 Inhibition of binding to human D4 receptor expressed in HEK 293 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 6 [#6,#7]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-1 Row: 153 Binding affinity to human recombinant c-MET assessed as inhibition of autophosphorylation by continuous fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 17 [#6,#8](-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1-[#7,#6,#9,#17])-[#6]1:[#6](-[#17,#7,#9]):[#6,#7]:[#6]:[#6](:[#6]:1)-[#9,#6] Row: 154 Inhibition of binding to human D2L receptor expressed in HEK 293 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 6 [#6,#7]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-1 Row: 155 Displacement [3H]SB-222200 from of human recombinant NK3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 20 [#8]=[#6,#16](-[#6]1:[#6]:[#6](-[#6]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-2):[#7,#8]:[#7,#6,#8]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 156 Inhibition of human recombinant CA9 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 12 [#7,#6,#8]-[#16,#6,#8]-[#6]1-[#8]-[#6](-[#6,#7,#8,#16])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 157 Displacement of [3H]-histamine from human histamine H4 receptor expressed in Sf9 cells coexpressing RGS19, Galphai2, Gbeta1gamma2 * postgresql://localhost/chembl_23 Mean nAts 14.3, mcs nAts: 7 [#6,#7,#8,#16]-[#6]-[#6]1:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6,#8,#16,#34]:,-1 Row: 158 Inhibition of binding to human D1 receptor expressed in HEK 293 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 6 [#6,#7]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-1 Row: 159 Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 16 [#6]-[#6]-[#6,#7]-[#6](=[#8,#16])-[#7]-[#6]-[#6]1:[#6]:[#6](-[#8]-[#6]):[#6](:[#6]:[#6]:1)-[#8] Row: 160 Displacement of [3H]diprenorphine from human cloned kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 19 [#6]1-[#6]-[#7]2-[#6]-[#6](-[#6])-[#6](-[#6]-[#6]-2-[#6]-[#7,#6]-1)(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6] Row: 161 Inhibition of human recombinant CA12 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 12 [#7,#6,#8]-[#16,#6,#8]-[#6]1-[#8]-[#6](-[#6,#7,#8,#16])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 162 Inhibition of human SERT * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 19 [#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 163 Binding affinity to human BK1 receptor * postgresql://localhost/chembl_23 Mean nAts 36.9, mcs nAts: 26 [#6]-[#8]-[#6](=[#8])-[#6]1:[#6](-[#9,#17]):[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#6]-[#7]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#7,#6]:1 Row: 164 Inhibition of HIV1 protease * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 24 [#7]-[#6]-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#8]-[#6]1-[#6]-[#8]-[#6]2-[#6]-1-[#6]-[#6]-[#8]-2 Row: 165 Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 12 [#7,#6]-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1-[#6]-[#7] Row: 166 Inhibition of Mycobacterium tuberculosis PtpA * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 14 [#8]=[#15](-[#8])(-[#8])-[#6](-[#9])(-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#6,#7,#16] Row: 167 Displacement of [3H]spiperone from human dopamine D2S receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 11 [#6](-[#6,#7]=,-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#6,#7] Row: 168 Binding affinity against mitochondrial DBI complex (peripheral benzodiazepine receptor) using primary cultures of glial cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 13 [#6,#7]-[#7,#6]-[#6]-,=[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 169 Inhibition of rat recombinant nNOS * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 15 [#6]-[#7,#8]-[#6]1-[#6]-[#7]-[#6]-[#6]-1-[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#6](:[#7,#6]:1)-[#7,#6] Row: 170 BindingDB_Patents: Time-Resolved FRET Assay. A homogeneous time-resolved FRET assay was used to determine IC50 values for inhibitors of the soluble human BACE1 catalytic domain. The assay monitored the increase of 620nm fluorescence that resulted from BACE1 cleavage of an APPswedish APPswe mutant peptide FRET substrate (QSY7-EISEVNLDAEFC-Europium-amide). * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 27 [#6,#8]-[#6]1:[#7]:[#6](-[#7]2-[#6]-[#6]3-[#6](=[#8])-[#7](-[#6])-[#6](=,-[#7]-[#6]-3(-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,=[#7]):[#7]:[#6](:[#6]:1-[#9,#17])-[#6,#8] Row: 171 Displacement of [3H]-(+)-pentazocine from Sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 180 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 18 [#7,#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8] Row: 172 Binding affinity to human cloned Alpha-2C adrenergic receptor * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 23 [#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6,#7]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6]2:[#6]:1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2 Row: 173 Displacement of [3H]WIN35,428 from Sprague-Dawley rat brain DAT after 120 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 17 [#7,#8]-,=[#6]-[#6]-[#16]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 174 Displacement of [3H]rauwolscine from human ADRA2A expressed in S115 cells * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 23 [#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6,#7]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6]2:[#6]:1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2 Row: 175 Inhibition of bovine recombinant eNOS * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 15 [#6]-[#7,#8]-[#6]1-[#6]-[#7]-[#6]-[#6]-1-[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#6](:[#7,#6]:1)-[#7,#6] Row: 176 Displacement of [3H]rauwolscine from human ADRA2B expressed in S115 cells * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 23 [#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6,#7]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6]2:[#6]:1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2 Row: 177 Displacement of [3H]rauwolscine from human ADRA2C expressed in S115 cells * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 23 [#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6,#7]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6]2:[#6]:1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2 Row: 178 Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]-[#6,#7]-[#8,#6]-,=[#6,#7,#8] Row: 179 Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 10.7, mcs nAts: 4 [#6,#8]-,=[#6,#7](=,-[#8,#6,#7])-,=[#8,#6,#7] Row: 180 Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 11 [#6](-[#6,#7]=,-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#6,#7] Row: 181 Inhibition of [3H]DPCPX binding to rat cerebral cortex adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 22 [#7]-[#6]1:[#7]:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 182 Displacement of [3H]CP-55,940 from Sprague-Dawley rat brain CB1 receptor by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 17 [#6,#7,#8]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7,#6]2:[#6]:1:[#7,#8,#16]:[#6,#7]:[#7,#6]:2)=[#8] Row: 183 Binding affinity to dopamine D3 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#7,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 184 Inhibition of recombinant human GST-tagged LSD1 catalytic domain (172 to 833 residues) using dimethylated H3K4 peptide substrate preincubated for 10 mins followed by substrate addition by HPLC-MS analysis * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 26 [#6,#7]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]1:[#7,#6]:[#6]:[#6](:[#7,#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8,#7]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#7,#6]-,:[#6,#7]-,:[#6]-,:1 Row: 185 Binding affinity to dopamine D2 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#7,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 186 Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 17 [#6,#7,#8]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7,#6]2:[#6]:1:[#7,#8,#16]:[#6,#7]:[#7,#6]:2)=[#8] Row: 187 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 25 [#8]=[#6](-[#7]-[#6]1-[#6]-,:[#6,#7,#8]-,:[#6]-[#6]-1-[#7]-[#6](=[#8])-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:1=[#8] Row: 188 Displacement of [3H]CP-55,940 from Sprague-Dawley rat spleen CB2 receptor by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 17 [#6,#7,#8]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7,#6]2:[#6]:1:[#7,#8,#16]:[#6,#7]:[#7,#6]:2)=[#8] Row: 189 Displacement of [3H]N-methyl-scopolamine from human muscarinic M3 receptor expressed in CHO K1 cells * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 14 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6](-[#6])-[#7,#8]-[#6]-1=[#8] Row: 190 Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 17 [#6,#7,#8]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7,#6]2:[#6]:1:[#7,#8,#16]:[#6,#7]:[#7,#6]:2)=[#8] Row: 191 BindingDB_Patents: Radioligand Binding Assay. Compounds of the invention were assessed in a competition binding assay where different concentrations of compounds were incubated with the LXR ligand binding domain (LBD) in the presence of radiolabeled LXR ligand [3H]TO901317. The amount of the LXR-LBD that complexed with [3H]T0901317 was measured by scintillation proximity assay (SPA) employing non-specific binding of LXR-LBD to poly-lysine coated Yttrium silicate beads. Partially purified LXR alpha or beta LBD protein (15-45 nM) was incubated at rt for 30 min with 15 nM [3H]T0901317 (25-40 Ci/mmol) and different concentrations of test compounds in 80 uL of phosphate buffered saline (PBS) buffer containing 2.5% DMSO, 1% glycerol, 2 mM EDTA, 2 mM CHAPS and 5 mM DTT in 96-well plates. Poly-lysine SPA beads (50 ug) were added to each well and the total volume was adjusted to 120 uL. The plates were shaken on an orbital shaker for 20 min and then allowed to settle for 10 more minutes at room temperature. * postgresql://localhost/chembl_23 Mean nAts 34.7, mcs nAts: 32 [#6]-[#6](-[#6])-[#6]1-[#6]2:[#7]:[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3:[#7]:2-[#6]-[#6]-[#7]-1-[#6]1:[#7]:[#6]:[#6](:[#6](:[#7]:1)-[#6](-[#9])(-[#9])-[#9])-[#6]-,=[#8,#6,#7])-[#16](-[#6])(=[#8])=[#8] Row: 192 Binding affinity against human immunodeficiency virus (HIV) protease * postgresql://localhost/chembl_23 Mean nAts 39.2, mcs nAts: 23 [#7,#6,#8,#16]-[#6,#7,#16]-[#6,#7]-[#6,#7]-[#6]-[#6]-[#7,#6]-[#6,#7]-[#8,#6]-[#6,#8]-[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 193 Binding affinity to 5HT1A receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#7,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 194 Binding affinity to 5HT2A receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#7,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 195 Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 21 [#6]1=,-[#6]-[#6]2:[#6,#16]:[#6,#16]:[#16,#6]:[#6]:2-[#6]2(-[#8]-1)-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 196 Binding affinity for human corticotropin releasing factor receptor 1 * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 27 [#6]-[#6]-[#7](-[#6]-[#6]1:[#6](-[#6]):[#7]:[#6]2:[#7]:1:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#7]:2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6,#17,#35])-[#6,#17])-[#6]-[#6] Row: 197 Inhibition of human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 19 [#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 198 Binding affinity to 5HT2C receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#7,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 199 Inhibition of [3H]ZM-241,385 binding to rat brain adenosine A2a receptor * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 22 [#7]-[#6]1:[#7]:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 200 Displacement of [125I]SS14 from human SST3 expressed in CHO membrane after 60 to 90 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 10 [#6]-[#7,#6,#8]-[#6,#7](=,-[#8,#6])-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 201 Binding activity against human MCH-R1 * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6] Row: 202 Displacement of [3H]UR-MK114 from human neuropeptide Y receptor type 1 expressed in human SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 82.5, mcs nAts: 35 [#7]=,-[#6](-,=[#7,#8])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6] Row: 203 Displacement of [125I]-cyanopindolol from human adrenergic beta-1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 27 [#8]-[#6](-[#6]-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#16,#6]:[#6]:[#6,#16]:2)-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 204 Inhibition of wild type HIV1 protease by FRET assay * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 30 [#6]-[#6]-[#6]-[#6]-[#7](-[#6]-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#8]-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 205 Displacement of [125I][Tyr14]nociceptin FQ from human cloned nociceptin receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 26 [#7,#6]-[#6]-[#6]1(-[#6])-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 206 Binding affinity at human MC4R * postgresql://localhost/chembl_23 Mean nAts 41.5, mcs nAts: 36 [#6]-[#6](-,=[#6,#8])-[#6,#7]-[#6](-[#7,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#7]1-[#6]-[#6]-[#6]-[#6]-1=[#8] Row: 207 Inhibition of human recombinant carbonic anhydrase 2 at pH 7.5 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.3, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 208 Displacement of [3H]A585539 from alpha7 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 14 [#6,#7]1:[#6,#7]:[#7,#6]:[#6,#7]:[#6](:[#6]:1)-[#7]1-[#6]-[#6]2-[#6]-[#7]-[#6]-[#6]-2-[#6]-1 Row: 209 Displacement of [3H]cytisine from alpha4beta2 nicotinic acetylcholine receptor in rat brain minus cerebellum membrane * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 14 [#6,#7]1:[#6,#7]:[#7,#6]:[#6,#7]:[#6](:[#6]:1)-[#7]1-[#6]-[#6]2-[#6]-[#7]-[#6]-[#6]-2-[#6]-1 Row: 210 Inhibition of human ERG channel * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 7 [#6,#7,#8,#9,#16,#17]-,=[#6,#7,#16]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-1 Row: 211 Inhibition of human recombinant carbonic anhydrase 1 at pH 7.5 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.3, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 212 Displacement of [3H]CP55,940 from CB1 receptor in rat brain cortical membranes * postgresql://localhost/chembl_23 Mean nAts 22.7, mcs nAts: 8 [#6,#8]=,-[#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 213 Displacement of [3H]-R(+)-7-OHDPAT from dopamine D3 receptor in rat brain homogenates * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 26 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16,#6](=[#8])-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#16]:[#6](:[#7]:2)-[#7] Row: 214 Displacement of [125I]iodocyanopindolol from cloned human adrenergic beta-3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 17 [#6]-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#6]:[#6](-[#6]-[#6]-[#6,#7]-[#6,#7]-[#7,#6]):[#6]:[#6]:[#6]:1-[#8] Row: 215 Displacement of [3H]HTS446284 from human recombinant His-tagged TGFbetaR1 after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 19 [#6]-[#7,#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#7]:[#6]:[#6]:[#7]:3):[#6,#7](-[#6]):[#6,#7](:[#7,#6]:1-,=[#6,#8])=,-[#8,#6] Row: 216 Competitive inhibition of N-terminal His6-tagged recombinant human c-MET (974 to 1390 amino acids) by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 12 [#7,#6,#8]-[#6]1:[#6]:[#7]:[#6]2:[#6,#7](:[#7]:1):[#7,#6](:[#7]:[#7]:2)-[#6]-[#6,#7,#8,#16] Row: 217 Displacement of [3H]histamine from human recombinant histamine H4 receptor * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 8 [#6,#7]-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6](:[#7,#6]:1)-[#7,#6] Row: 218 Inhibitory activity against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 53.1, mcs nAts: 38 [#8]=[#6]1-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6](-[#6](-[#7]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8] Row: 219 Displacement of [3H](+)-pentazocine from sigma1 receptor in rat liver membrane by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 8 [#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-1-[#7,#6,#8]-[#6,#7] Row: 220 Displacement of [125I]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counter * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 8 [#6,#7,#8,#9]-[#8,#6,#7]-,=[#6,#7]1:,-[#6,#7]:,-,=[#6,#7]:,-[#6,#7]:,-,=[#6,#7]:,-[#6,#7]:,-1 Row: 221 Inhibition of Mycobacterium tuberculosis TMPK using dTMP substrate and NADH by pyruvate kinase/lactate dehydrogenase coupling system based spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 20.9, mcs nAts: 16 [#8]=[#6]1:[#7]:[#6](=[#8]):[#7](:[#6]:[#6]:1-[#9,#6,#17,#35])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 222 Displacement of [125I]iodomelatonin from human cloned MT2 receptor expressed in rat NIH3T3 cells after 90 mins * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 13 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]-[#6]-[#16,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 223 Displacement of [125I]iodomelatonin from human cloned MT1 receptor expressed in rat NIH3T3 cells after 90 mins * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 13 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]-[#6]-[#16,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 224 Binding affinity to human AR * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 17 [#6,#8]-,=[#6]-[#7](-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#6](:[#7]:2)-,=[#8])-[#6,#8,#17,#35] Row: 225 Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 24 [#6]-,=,#[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#7,#6]2-[#6]-[#6]-[#6]-[#6]-[#6]-2):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#35,#6,#7,#16,#53])=[#8] Row: 226 Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 24 [#6]-,=,#[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#7,#6]2-[#6]-[#6]-[#6]-[#6]-[#6]-2):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#35,#6,#7,#16,#53])=[#8] Row: 227 Inhibition of GST-tagged astrosclera willeyana Astrosclerin-3 expressed in Escherichia coli after 15 mins preincubation by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.3, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 228 Binding affinity towards Opioid receptor kappa 1 from guinea pig brain using [3H]U-69593 as radioligand * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 19 [#6]-[#6]1-[#6]2-[#6]-[#6]3:[#6](-[#6]-1(-[#6])-[#6]-[#6]-[#7]-2-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:[#6]:3 Row: 229 Displacement of [125I-Tyr13] from human MCH-R1 expressed in HEK 293 cells * postgresql://localhost/chembl_23 Mean nAts 40.5, mcs nAts: 22 [#6,#8]-,=[#7,#6]1-[#6,#7](=,-[#8,#6])-[#7,#6](-,=[#6,#8])-[#6]2(-[#6,#7]-1=,-[#8,#6])-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 230 BindingDB_Patents: Receptor Binding Assay. Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 355-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by N2 decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C., the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid N2 and stored at --80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates. * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 18 [#6]-[#6]1:[#6](-[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#8]:2):[#6]:[#7]:[#7]:1-[#6] Row: 231 Displacement of (+)-[3H]pentazocine from guinea pig brain sigma 1 receptor after 180 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 13 [#7,#6](-[#6,#7]-[#6]-[#6]-[#6]1:,-[#6](-,:[#6]-,=,:[#6]-,:[#8,#6]):,-[#7,#6]:,-[#7,#6]:,-[#6,#8]:,-1)-,=[#6] Row: 232 Binding affinity against adenosine A1 receptor of cerebral cortex using [3H]CPX as a radioligand * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 15 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#7](-[#6]):[#6](:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2)=[#8] Row: 233 Inhibition of IMPDH1 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6](-[#6]):[#6]2:[#6](:[#6](:[#6]:1-[#6]-[#6]=,-[#6,#8]-[#6,#15]-[#6]-[#6,#15](=[#8])-[#7,#8]-[#6]-[#6])-[#8])-[#6](=[#8])-[#8]-[#6]-2 Row: 234 Inhibition of wild type HIV1 protease Q7K mutant * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 38 [#6]-[#6]-[#7](-[#6]-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#7](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8]-1)=[#8])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 235 Inhibition of human plasmin * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 19 [#7]-[#6](-[#7])=[#7]-[#6]1:[#7]:[#6]:[#6](:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7])-[#17] Row: 236 Inhibition of human tPA * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 19 [#7]-[#6](-[#7])=[#7]-[#6]1:[#7]:[#6]:[#6](:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7])-[#17] Row: 237 Inhibition of human uPA * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 19 [#7]-[#6](-[#7])=[#7]-[#6]1:[#7]:[#6]:[#6](:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7])-[#17] Row: 238 Binding affinity towards Opioid receptor mu 1 from guinea pig brain using [3H]DAMGO as radioligand * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 19 [#6]-[#6]1-[#6]2-[#6]-[#6]3:[#6](-[#6]-1(-[#6])-[#6]-[#6]-[#7]-2-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:[#6]:3 Row: 239 Displacement of WFYpSPFLE from human Pin1 catalytic domain after 10-20 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 12 [#8,#7]=,-[#6](-[#7,#6]-[#6,#7]-,=,#[#6]-[#6]1:,=[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-,=[#6,#8] Row: 240 Inhibition of IMPDH2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6](-[#6]):[#6]2:[#6](:[#6](:[#6]:1-[#6]-[#6]=,-[#6,#8]-[#6,#15]-[#6]-[#6,#15](=[#8])-[#7,#8]-[#6]-[#6])-[#8])-[#6](=[#8])-[#8]-[#6]-2 Row: 241 Displacement of [3H]citalopram from Sprague-Dawley rat brain stem SERT site S1 by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 23 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35,#6,#9])-[#8]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#6] Row: 242 Inhibition against Bacillus subtilis DNA topoisomerase III (wild type) * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 15 [#8,#6]-,=[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:2):[#7,#6]:[#6](:[#7,#6]:1)-,=[#8,#6] Row: 243 Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in SK-N-MC cells after 45 mins by competition binding analysis * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 7 [#7,#6]-[#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-[#6]:,-[#7,#6]:,-1 Row: 244 Displacement of [3H]CP-559440 from human CB1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 23 [#8]=[#6](-[#7]-[#6,#7])-[#6]1:[#6]:[#7,#6](-[#6]2:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-2)-[#17,#6,#8,#9,#35]):[#6,#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6,#8,#9] Row: 245 Binding affinity against adenosine A1 receptor in guinea pig forebrain membranes using N6-[3H]cyclohexyladenosine as radioligand * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 11 [#6,#8,#17]-,=[#7,#6]:[#6,#7]:[#7,#6]:[#6,#7]1:[#7,#6]:[#6,#7]:[#7]:[#6,#7]:1:[#6,#7]=,-[#8,#6,#7] Row: 246 Displacement of [125]NDPMSH from human MC4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 30 [#6,#9,#17]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6](-[#7])-[#6]-[#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1-[#7]-[#6]-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 247 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 18 [#8]=[#6]1-[#7]-[#6]-[#7](-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 248 Inhibition of human recombinant carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 249 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 18 [#8]=[#6]1-[#7]-[#6]-[#7](-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 250 Inhibition of human recombinant carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 251 Displacement of [125I]-Tyr-o- CRF from human corticotropin releasing factor receptor 1 expressed in IMR-32 cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 20 [#6,#7]-[#7]-[#6]-[#6]1:[#6](-[#6]):[#7]:[#6]2:[#7]:1-[#6]-[#6]-[#7]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6,#17,#35])-[#6,#17] Row: 252 Displacement of [3H]5-HT from human 5-HT7 receptor expressed in HEK293 cells after 30 mins by microbeta counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 253 Binding affinity to human thrombin by standard kinetic photometric assay * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 19 [#6,#7]-[#6,#7]-[#6](=[#8])-[#7,#6]1-[#6]-[#6]-[#6]-[#6,#7]-1-[#6](=[#8])-[#7,#6]-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 254 Inhibition of human recombinant dUTPase * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 10 [#6]1:[#6]:[#6]:[#7,#6](:[#6]:[#7,#6]:1)-[#6,#14]-[#6,#7,#8]-,=[#6]-[#8,#6,#7] Row: 255 Inhibition of human glutaminyl cyclase expressed in Escherichia coli DH5alpha using H-Gln-AMC as substrate by fluorometric analysis in presence of pyroglutamyl aminopeptidase * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 17 [#6,#8]-,=[#6,#8,#16]-[#16,#6,#7]-[#6,#7]1:[#7,#6,#8]:[#7,#6]:[#6](:[#8,#6,#7,#16]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6]:[#7]:2 Row: 256 Displacement of [3H]DPCPX from adenosine A1 receptor in bovine cerebral cortical membranes * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 23 [#7]-[#6]1:[#6](-[#6](=[#8])-[#8]-[#6]):[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]-[#6](-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 257 Binding affinity using [125I]hU-II radioligand binding assay in HEK293 cell membranes expressing human Urotensin 2 receptor * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 23 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7](-[#6])-[#6] Row: 258 BindingDB_Patents: Radioligand Binding Assay. Human Embryonic Kidney 293 cells (HEK293) stably expressing rat orexin 1 receptor (Genebank accession number NM 001525) or Chinese ovary cells (CHO) stably expressing human orexin 1 receptor (Genebank accession number NM 001526) were grown to confluency in DMEM (Hyclone, cat # SH30022), 10% FBS, 1x Pen/Strep, 1x sodium pyruvate, 10 mM HEPES, 600 ug/mL G418 and DMEM/F12 (Gibco, Cat #11039), 10% FBS, 1x Pen/Strep, 600 ug/mL G418 media, respectively on 150 cm2 tissue culture plates, washed with 5 mM EDTA in PBS (HyClone Dulbecco's Phosphate Buffered Saline 1x with Calcium and Magnesium, Cat # SH30264.01, hereafter referred to simply as PBS) and scraped into 50 ml tubes. After centrifugation (2Kx G, 5 min at 4 C.), the supernatant was aspirated and the pellets frozen and stored at -80 C. Cells were resuspended in PBS in the presence of 1 tablet of protease inhibitor cocktail (Roche, Cat. #11836145001) per 50 mL. * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 27 [#8]=[#6](-[#6]1:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6]:1-[#35,#6,#7,#8])-[#7]1-[#6]-[#6]2-[#6]-[#6](-[#6]-1-[#6]-2)-[#8,#7]-[#6]1:[#6]:[#6,#7]:[#6](:[#6]:[#7]:1)-[#6](-[#9])(-[#9])-[#9] Row: 259 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins measured for 10 to 100 sec by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 260 Displacement of [3H]A585539 from alpha7 nACHR in rat brain homogenate * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 15 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#6]-1-[#6]-[#7]-2-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:[#7]:1)-[#17,#6] Row: 261 Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO cell membrane after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 20 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#6]:[#6](:[#7]:2)-[#6])=[#8] Row: 262 Displacement of [125I]MCH from human MCHR1 expressed in CHO cell * postgresql://localhost/chembl_23 Mean nAts 36.8, mcs nAts: 25 [#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#6]1=,-[#6]-[#6](-[#7](-[#6]-[#6]-[#7,#6])-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#17,#6])-[#6]-[#6]-1 Row: 263 Displacement of [3H]Nalpha-methylhistamine from histamine H3 receptor in guinea pig brain * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 20 [#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6,#7]-,:1)-[#6]-[#6,#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#7,#6]:,-[#6]:,-[#6]:,-1 Row: 264 Inhibition of human recombinant airway trypsin-like protease HAT using D-cyclohexylalanine-Pro-Arg-AMC as substrate by fluorescence plate reader analysis * postgresql://localhost/chembl_23 Mean nAts 40.9, mcs nAts: 17 [#7,#6,#8]-,=[#6](=,-[#8,#6,#7])-[#6](-[#6]-,=[#8,#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 265 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex incubated for 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 12 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1 Row: 266 Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 12 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1 Row: 267 Displacement of [3H]mesulergine from 5HT2C receptor in Sprague-Dawley rat brain cortex incubated for 15 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 12 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1 Row: 268 Displacement of [3H]AVP from human V1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 18 [#7,#6,#8,#16]-,=[#6,#7]-[#6,#7](-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6]-[#16,#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 269 Displacement of [3H]CP55940 from human CB1 receptor expressed in CHOK1 cells after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 24 [#6]-[#8,#6,#7]-[#6]1:[#7,#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#8] Row: 270 Displacement of [3H]CP-55940 from human CB1 receptor expressed in CHO cell membrane after 90 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 20 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#6]:[#6](:[#7]:2)-[#6])=[#8] Row: 271 Binding affinity to human recombinant CRTH2 receptor by cell based radioligand equilibrium competition assay * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 26 [#8,#6]=,-[#6]-[#6]-[#6,#7]1:[#6]2:[#7,#6](:[#6]3:[#6]:1:[#6]:[#6]:[#6]:[#6]:3)-[#6]-[#6](-[#6]-[#6]-2)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 272 Displacement of [3H]CP-55940 from cloned human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 18 [#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8,#6,#7])-[#6](-[#6])(-[#6])-[#6]-,=[#8,#6,#7] Row: 273 Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 18 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 274 Displacement of [125]metastin from metastin receptor * postgresql://localhost/chembl_23 Mean nAts 111.5, mcs nAts: 48 [#6,#7]-[#6](-,=[#6,#8])-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6])-[#7]-[#6](=[#8])-[#6](-[#6])-[#7]-[#6](=[#8])-[#6](-[#6,#7]-[#6](-[#7,#6])=[#8])-[#7,#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1)-[#6](-,=[#7,#8])=,-[#8,#7] Row: 275 Displacement of [3H]CP-55940 from cloned human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 18 [#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8,#6,#7])-[#6](-[#6])(-[#6])-[#6]-,=[#8,#6,#7] Row: 276 Inhibition of bovine thrombin using D-Phe-Pip-Arg-p-NA as substrate by chromogenic assay * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6]:[#6,#7]:1 Row: 277 Inhibition of human factor 10a using Z-D-Arg-Gly-Arg-p-NA as substrate by chromogenic assay * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 23 [#6,#7,#8,#9,#16,#17,#35]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]-[#7,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6,#7]-[#6,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 278 Displacement of [3H]CP-55940 from Sprague-Dawley rat brain CB1 receptor after 90 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 20 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#6]:[#6](:[#7]:2)-[#6])=[#8] Row: 279 Displacement of [3H]CP-55940 from Sprague-Dawley rat spleen CB2 receptor after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 20 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#6]:[#6](:[#7]:2)-[#6])=[#8] Row: 280 Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 18 [#8]=[#6]1-[#7]-[#6]-[#7](-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 281 Displacement of [3H]diprenorphine from human cloned delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 19 [#6]-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#7,#6]-[#6]-[#6]-2-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6] Row: 282 Displacement of [3H]alpha-bungarotoxin from nAChR in Musca domestica (house fly) head membrane after 60 min by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 14.2, mcs nAts: 2 [#6,#7,#8]-,=,#[#7,#6,#8] Row: 283 Inhibition of Thalassiosira weissflogii delta carbonic anhydrase preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 284 Displacement of [3H]LSD from rat recombinant 5HT7 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 17 [#8]=[#6](-[#6]-[#6]-[#6]-[#6,#7])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 285 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Wistar Han rat hippocampal membranes * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8]=[#6](-[#6]-[#6]-[#6]-[#6,#7])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 286 Displacement of [125I]nociceptin from human nociceptin receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 18 [#8]=[#6]1-[#7]-[#6]-[#7](-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 287 Inhibition of human carbonic anhydrase 2 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 288 Inhibition of human carbonic anhydrase 1 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 289 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydrase stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 290 Displacement of [3H]-LSD from human 5-HT6 receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]-[#6]-[#8,#6]-[#6,#7] Row: 291 Inhibition constant for HIV aspartyl protease * postgresql://localhost/chembl_23 Mean nAts 42.5, mcs nAts: 33 [#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7](-[#6]-[#6]-[#6])-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-,=[#6](=,-[#8,#16])-[#7](-[#6])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6]:1)-[#6]-,=[#8] Row: 292 Binding affinity to human dopamine D2L receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]-[#6]-[#8,#6]-[#6,#7] Row: 293 Inhibition of IRAP in HEKT cells assessed as hydrolysis of L-leucine-4-methyl-7-coumarinylamide after 30 mins * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 20 [#7,#8]#,-,=[#6]-[#6]1=[#6](-[#7])-[#8]-[#6]2:[#6](-[#6]-1-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:1):[#6]:[#6]:[#6](:[#6]:2)-[#8,#7] Row: 294 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 24 [#6]-[#8,#6,#7]-[#6]1:[#7,#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#8] Row: 295 Inhibition of human Carbonic anhydrase1 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 296 Inhibition of human Carbonic anhydrase2 using CO2 as substrate preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 297 Binding affinity to human CCR3 receptor expressed in CHOK1 cells by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 23 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#9] Row: 298 In vitro ability to displace [3H]SCH-58261 from A2A adenosine receptor in Rat * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 21 [#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:2):[#6]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 299 Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 300 Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 301 Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 302 BindingDB_Patents: Inhibition Assay. Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known (see., e.g., National Committee for Clinical Laboratory Standards 2000 Performance standards for antimicrobial disk susceptibility tests: approved standard, 7th ed. M2-A7, vol. 20, no. 1, Committee for Clinical Laboratory Standards, Wayne, Pa.). * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 13 [#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:[#6]:2-[#7])-[#7] Row: 303 Inhibition of human carbonic anhydrase-2 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 304 Inhibition of human carbonic anhydrase-1 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 305 Binding affinity against Hepatitis C virus NS3 protease * postgresql://localhost/chembl_23 Mean nAts 75.4, mcs nAts: 40 [#6]-[#6]-[#6]-[#7](-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](=[#8])-[#8])-[#7]-[#6](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6,#16](=,-[#8,#6])-,=[#8,#6,#7,#16] Row: 306 BindingDB_Patents: Inhibition Assay. Antibacterial activity as measured by the minimal inhibitory concentrations (MIC) and minimal bactericidal concentrations of compounds are well known (see., e.g., National Committee for Clinical Laboratory Standards 2000 Performance standards for antimicrobial disk susceptibility tests: approved standard, 7th ed. M2-A7, vol. 20, no. 1, Committee for Clinical Laboratory Standards, Wayne, Pa.). * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 13 [#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:[#6]:2-[#7])-[#7] Row: 307 Inhibition of rat SERT * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 19 [#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 308 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 309 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 310 Inhibition constant against Cannabinoid receptor 2 * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 28 [#6]-[#6](-[#7]-[#16](-[#6])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6](=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 311 Inhibition of [3H]CHA binding to adenosine A1 receptor of bovine brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 14 [#8,#6,#7]-,=[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1-[#8,#7,#16,#17]):[#6]:[#6]:[#6](:[#7]:2)-[#6,#7,#8,#17,#35] Row: 312 Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.1, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 313 Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.1, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 314 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.1, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 315 Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#7,#8])-[#6]-,=[#6]-[#6]-[#6]-3 Row: 316 Binding affinity for human corticotropin releasing factor receptor 1 expressed in LtK- cells using [125I]sauvagine * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 22 [#6]1-[#6]-[#7]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3-[#17,#6,#8,#9])-[#17,#6,#8,#9]):[#6]3:[#6]:2:[#6](-[#7]-1-[#6]):[#6]:[#6](:[#7]:3)-[#6] Row: 317 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 318 Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cell membrane after 30 mins by Scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 22 [#35,#6,#7]-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1):[#8]:[#6](:[#7]:2)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 319 Displacement of [3H]-diprenorphine from human KOR expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 30 [#6]-[#8]-[#6]12-[#6]-,=[#6]-[#6]3(-[#6]-[#6]-1-[#6](-[#8,#6])-[#6,#8])-[#6]14-[#6]-2-[#8]-[#6]2:[#6]-1:[#6](-[#6]-[#6]-3-[#7](-[#6]-[#6]-4)-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:2-[#8] Row: 320 Inhibitory activity against cruzain, the major cysteine protease found in Trypanosoma cruzi * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 22 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#8,#6]-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:1)-[#6](=[#8])-[#7,#6]-[#6,#16]-[#6]-[#6]-[#16,#6,#7,#8]-[#6,#8] Row: 321 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 322 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 323 Displacement of [125I]BTX from rat alpha7 nAChR expressed in rat GH4C1 cells * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 10 [#7,#8,#16]-,=[#6](=,-[#8,#7])-[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 324 Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cell membranes incubated for 30 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 23 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7])-[#7])-[#6](-[#6]-1-[#8])-[#8] Row: 325 Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 23 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7])-[#7])-[#6](-[#6]-1-[#8])-[#8] Row: 326 Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cell membranes incubated for 120 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 23 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7])-[#7])-[#6](-[#6]-1-[#8])-[#8] Row: 327 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 328 Inhibition of Anopheles gambiae carbonic anhydrase pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 329 Inhibition of human carbonic anhydrase 2 pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 330 Displacement of [125I]DOI from human recombinant 5-HT2A receptor expressed in HEK293E cells after 45 mins by Top counting analysis * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 15 [#8,#6]=,-[#6]1-[#6,#7]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-2-[#6]-[#6,#7]2-,:[#7,#6]-1-,:[#6]-,:[#6,#7]-,:[#7,#6]-,:[#6]-,:2 Row: 331 Displacement of [125I]LSD from human recombinant 5-HT2B receptor expressed in HEK293E cells after 45 mins by Top counting analysis * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 15 [#8,#6]=,-[#6]1-[#6,#7]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-2-[#6]-[#6,#7]2-,:[#7,#6]-1-,:[#6]-,:[#6,#7]-,:[#7,#6]-,:[#6]-,:2 Row: 332 Inhibition of human carbonic anhydrase 1 pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 333 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 334 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 335 Displacement of [125I]DOI from human recombinant 5-HT2C receptor expressed in HEK293E cells after 45 mins by Top counting analysis * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 15 [#8,#6]=,-[#6]1-[#6,#7]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-2-[#6]-[#6,#7]2-,:[#7,#6]-1-,:[#6]-,:[#6,#7]-,:[#7,#6]-,:[#6]-,:2 Row: 336 Inhibition of human STEP using pNPP as substrate after 5 mins by spectrophotometric plate reader analysis * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 12 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 337 Displacement of [3H](+)-pentazocine from sigma-1 receptor in rat brain homogenates * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 338 Inhibition of human recombinant Carbonic anhydrase 2 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 339 Inhibition of human recombinant c-Src by filter-binding assay * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 21 [#7]-[#6]1:[#7]:[#6](-[#16,#7]-[#6]):[#7]:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]-[#6](-[#17,#35])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 340 Inhibition of human recombinant Carbonic anhydrase 1 compound preincubated for 15 mins by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 341 Displacement of [3H]dofetilide from human ERG potassium channel expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 38.4, mcs nAts: 11 [#6,#8]-,=[#7,#6,#16](-,=[#6,#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6,#8,#16,#17] Row: 342 Displacement of [3H]histamine from recombinant human histamine H4 receptor in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 14 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1:[#6,#7]:[#6]:[#6]:[#7,#6]:1 Row: 343 Displacement of [3H]prozosin from rat cloned alpha1d receptor * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 8 [#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 344 Inhibition of [125I][Tyr0]-sauvagine binding to human Corticotropin releasing factor receptor 1 expressed in mouse fibroblast Ltk- cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 20 [#6]-[#6]-[#6]-[#7](-[#6,#8]-[#6])-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17,#6,#8])-[#17,#8]):[#7](:[#7]:1)-[#6] Row: 345 Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 12 [#6,#8]-,=[#6]1:,-,=[#6,#8]:,-[#6](:,-[#6,#8]:,-[#6]:,-[#6]:,-,=[#6]):,-[#6]:,-[#8,#6]:,-,=[#6]:,-1=,-[#8,#6] Row: 346 Displacement of [3H]CP-55940 from cannabinoid CB1 receptor in rat brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 12 [#6,#8]-,=[#6]1:,-,=[#6,#8]:,-[#6](:,-[#6,#8]:,-[#6]:,-[#6]:,-,=[#6]):,-[#6]:,-[#8,#6]:,-,=[#6]:,-1=,-[#8,#6] Row: 347 Displacement of [125I]I-AB-MEAC from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 22 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#17])-[#6](-[#6]-1-[#8])-[#8] Row: 348 Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate after 4 hrs by FRET assay * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 18 [#6](-[#6]-[#6]-[#6,#7]-[#6,#7]-[#7,#6,#8]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#17])-[#6](=,-[#8,#6,#7])-[#7,#6]-,=[#8] Row: 349 Displacement of [3H]citalopram from human recombinant SERT scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 16 [#6]-[#6]12-[#6]-[#7]-[#6]-[#6]-[#6]-1(-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17])-[#6]-2 Row: 350 Inhibition of human matriptase-2 expressed in HEK-MT2 cells using fluorogenic Boc- Gln-Ala-Arg-NH-Mec as substrate measured over 400 secs by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 11 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7]-[#6] Row: 351 Binding affinity to human HT3A receptor * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 21 [#7,#6]-[#6]1:[#7,#8]:[#6]2:[#6](-[#6](=[#8])-[#7]-[#6]3-[#6]-[#7,#6](-[#6]-[#6])-[#6,#7]-[#6]-[#6]-3):[#6]:[#6]:[#6]:[#6]:2:[#8,#7]:1 Row: 352 Binding affinity at human adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 17.3, mcs nAts: 11 [#17,#6,#7,#8]-[#6]1:[#7]:[#6](-[#6,#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#16]:2 Row: 353 Inhibition of N-terminus polyHis-tagged human recombinant PI3Kalpha expressed in baculovirus infected insect Sf9 cells using phosphoinositol-4,5-bisphosphate as substrate after 1.5 hrs by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 28 [#8]=[#16](=[#8])(-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6,#7]:[#6,#7]:[#6]3:[#6](:[#6,#7]:2):[#6,#7]:[#6,#7]:[#7,#6]:[#7,#6]:3):[#6]:[#7]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 354 Displacement of [3H]-U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#7,#8])-[#6]-,=[#6]-[#6]-[#6]-3 Row: 355 Binding affinity to human recombinant PTP1B * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 6 [#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#8,#16]:,-[#6]:,-1 Row: 356 Inhibition of Pim2 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 11 [#6]-[#6]1:[#7,#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#7,#6]:[#6]:2)-[#6,#7] Row: 357 Displacement of [3H]CP55940 from human recombinant CB2 receptor transfected in HEK cell membranes * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 16 [#6,#7,#8]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#9,#6,#16,#35] Row: 358 Binding affinity to PTP1B * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 7 [#8,#6]=,-[#6,#7](-[#8,#6])-[#6](=[#8])-[#7,#6]-,=[#6,#8] Row: 359 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 26 [#7,#6]-[#6]-[#6]1(-[#6])-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 360 Inhibition of [125I]-AB-MECA binding to human Adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 20 [#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8,#6]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 361 Displacement of [3H]CP55940 from human recombinant CB1 receptor transfected in HEK cell membrane * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 16 [#6,#7,#8]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#9,#6,#16,#35] Row: 362 Binding affinity at human adenosine A2A receptor * postgresql://localhost/chembl_23 Mean nAts 17.3, mcs nAts: 11 [#17,#6,#7,#8]-[#6]1:[#7]:[#6](-[#6,#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#16]:2 Row: 363 Displacement of [3H]nisoxetine from human recombinant NET by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 16 [#6]-[#6]12-[#6]-[#7]-[#6]-[#6]-[#6]-1(-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17])-[#6]-2 Row: 364 Displacement of [3H]WIN-35428 from human recombinant DAT by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 16 [#6]-[#6]12-[#6]-[#7]-[#6]-[#6]-[#6]-1(-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17])-[#6]-2 Row: 365 Displacement of [125I]ABMECA from human recombinant adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 366 BindingDB_Patents: Inhibition Assay. Enzymatic reactions are carried out in a reaction containing 50 mM NaH2PO4, 100 mM NaCl and 0.1% BSA (pH 7.0) using 2 mM 4-Methylumbelliferyl N-acetyl-ß-D-glucosaminide dihydrate (Sigma M2133) dissolved in ddH2O, as a substrate. The amount of purified human O-GlcNAcase enzyme used in the reaction is 0.7 nM. Test compound of varying concentrations is added to the enzyme prior to initiation of the reaction. The reaction is performed at room temperature in a 96-well plate and is initiated with the addition of substrate. The production of fluorescent product is measured every 60 sec for 45 min with a Tecan Infinite M200 plate-reader with excitation at 355 nM and emission detected at 460 nM, with 4-Methylumbelliferone (Sigma M1381) used to produce a standard curve. The slope of product production is determined for each concentration of compound tested and plotted, using standard curve fitting algorithms for sigmoidal dose response curves. * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 15 [#7]-[#6]1=[#7]-[#6]2-[#6](-[#16]-1)-[#8]-[#6](-[#6](-[#6]-2-[#8])-[#8,#6])-[#6](-[#6,#8])-[#8,#6,#9] Row: 367 Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 22 [#6]-[#6]-,#[#8,#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 368 Inhibition of [3H]R-PIA binding to human Adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 20 [#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8,#6]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 369 Displacement of [3H]CP-55940 from human recombinant CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]=,-[#6,#7]-[#6,#7]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 370 Inhibition of Pim1 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 11 [#6]-[#6]1:[#7,#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#7,#6]:[#6]:2)-[#6,#7] Row: 371 Binding affinity to FKBP51 FK506-binding domain (1 to 140 amino acids) (unknown origin) incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by competitive fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 33 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#6](=[#8])-[#7]2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6](=[#8])-[#7]-[#6]-[#6]-,=[#7,#6,#8])-[#6]2-[#6]-[#6]-[#6]-[#6]-[#6]-2):[#6]:[#6](:[#6]:1-[#8]-[#6])-[#8]-[#6] Row: 372 Displacement of [3H]-diprenorphine from rat recombinant MOR expressed in rat C6 cells after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 30 [#6]-[#8]-[#6]12-[#6]-,=[#6]-[#6]3(-[#6]-[#6]-1-[#6](-[#8,#6])-[#6,#8])-[#6]14-[#6]-2-[#8]-[#6]2:[#6]-1:[#6](-[#6]-[#6]-3-[#7](-[#6]-[#6]-4)-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:2-[#8] Row: 373 Displacement of [3H]CP-55940 from human CB1 receptor expressed in COS cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 16 [#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6])-[#7,#6]-[#6] Row: 374 Binding affinity against human Melatonin receptor type 1B by using 2-[125I]iodomelatonin as radioligand * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 16 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#7]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#8]:[#6]:[#7]:2 Row: 375 Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 22 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1-[#16]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#17])-[#6](-[#6]-1-[#8])-[#8] Row: 376 Inhibition of [3H]DPCPX binding to adenosine A1 receptor of rat cerebral cortex * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 16 [#7]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 377 Displacement of [3H]ZM-241385 from human recombinant adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 378 Displacement of [3H]PK11195 from PBR receptor in Wistar rat heart homogenates * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 24 [#6]-[#6]-[#7](-[#6]-[#6])-[#6](=[#8])-[#6]1-,:[#16,#6]-,:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-,:[#6]2:,-[#6]-,:1:[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1:[#7]:2 Row: 379 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 8 [#6,#7,#8,#16]-,=,#[#8,#6]-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7,#8]:,-[#6]:,-[#6,#7]:,-1 Row: 380 Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 19.3, mcs nAts: 12 [#6]-,=,#[#6]-[#6,#7]-[#6]-[#6](=,-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 381 Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 19.3, mcs nAts: 12 [#6]-,=,#[#6]-[#6,#7]-[#6]-[#6](=,-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 382 Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 19.3, mcs nAts: 12 [#6]-,=,#[#6]-[#6,#7]-[#6]-[#6](=,-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 383 Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells was determined by using [125I]NDP-MSH as radioligand * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 19 [#8]=[#6](-[#6]-[#6,#7,#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7,#6]-[#6] Row: 384 Binding affinity to human F10a * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 26 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6,#7,#16]):[#6]2:[#6]:1-[#6](=[#8])-[#7](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6])-[#6]-[#6]-2 Row: 385 Displacement of [3H]nisoxetine from human recombinant NET expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 15 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6,#8,#17])-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 386 Displacement of [3H]-SB222200 from recombinant human NK3R expressed in CHO cell membranes after 90 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 14 [#8,#6]=,-[#6](-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-1)-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6]:[#6]-,:[#6,#7]-,:1 Row: 387 Displacement of [3H]citalopram from human recombinant SERT expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 15 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6,#8,#17])-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 388 Displacement of radioligand from human recombinant DAT expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 15 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6,#8,#17])-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 389 Displacement of [3H]CPX from human recombinant adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 390 Inhibition of human DPP4 * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 10 [#6,#7]-[#6](-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-,:[#6,#16]-,=,:[#7,#6]-1 Row: 391 Inhibition of human recombinant carbonic anhydrase-2 by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 392 Inhibitory activity against isolated chicken liver dihydrofolate reductase (DHFR) * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 16 [#6]-[#6]1(-[#6])-[#7]=[#6](-[#7])-[#7]=[#6](-[#7]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7] Row: 393 Displacement of [3H]-5-CT from human 5-HT7B receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7,#8]-[#6]-[#8,#6,#7]-[#6,#7] Row: 394 Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7,#8]-[#6]-[#8,#6,#7]-[#6,#7] Row: 395 Inhibition of human recombinant CA 3 assessed as CO2 hydration by stopped flow kinetic assay * postgresql://localhost/chembl_23 Mean nAts 16.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 396 Displacement of [3H]prozosin from hamster cloned alpha-1b receptor * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 8 [#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 397 Inhibition of human CA2 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#16] Row: 398 Inhibition of human CA2 after 15 mins by stopped-flow/Co2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 399 Inhibition of [3H]DA uptake at VMAT2 in rat striatal synaptic vesicles * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6](-[#7]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 400 Displacement of [3H]-ZM241385 from human A2B receptor expressed in HEK293 cell membranes * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6](:[#7])-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6] Row: 401 Displacement of [3H]-CPX from human A1 receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6](-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6]):[#7] Row: 402 Displacement of [125]DOI from human recombinant full length 5HT2C receptor expressed in HEK293E cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 13 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]2-,:[#6](-,:[#6]-,:1)-,:[#6](:,-[#6]:,-[#6,#7]:,-[#6]):,-[#6]-[#7,#6]-2 Row: 403 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 404 Displacement of [3H]-labeled substance P from cloned human NK1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 21 [#6]1:[#6]:[#7,#6]:[#6]:[#6]:[#6]:1-[#7,#6]-[#7,#6,#8]=,-[#6,#7]-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 405 Displacement of [125I]ghrelin from ovine recombinant GHSR1a expressed in HEK293F cells after 6 hrs by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 19 [#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6](:[#7]:1-[#6]-[#6]1-,=[#6]-[#6,#7]-[#6]-[#7,#6]-[#6,#8]-1)=[#8] Row: 406 Displacement of [3H]pyrilamine from human H1 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 24 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6,#9])-[#17,#9] Row: 407 Displacement of [125]DOI from human recombinant full length 5HT2A receptor expressed in HEK293E cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 13 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]2-,:[#6](-,:[#6]-,:1)-,:[#6](:,-[#6]:,-[#6,#7]:,-[#6]):,-[#6]-[#7,#6]-2 Row: 408 Displacement of [125I]ghrelin from human GHSR1a after 1 hr * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 22 [#6]-[#6](-[#6])(-[#7])-[#6](=[#8])-[#7]-[#6](-[#6]-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#7]:[#7]:[#7]:1 Row: 409 Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.1, mcs nAts: 7 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 410 Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#16] Row: 411 Inhibition of [3H]choline uptake at choline transporter 1 in mouse brain synaptosome * postgresql://localhost/chembl_23 Mean nAts 12.7, mcs nAts: 2 [#6,#7,#8]-[#7,#6,#8] Row: 412 Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#16] Row: 413 Displacement of [125I]RTI55 from cloned human NET expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 10 [#6,#7,#8]-,=[#6](-[#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6] Row: 414 Displacement of [125I]RTI55 from cloned human SERT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 10 [#6,#7,#8]-,=[#6](-[#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6] Row: 415 Concentration required to inhibit the binding of 20 pM [125I]-BH-CCK-8S radioligand to mouse cortical membrane CCK2 receptor * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 19 [#6]-[#6]1:[#7,#6]:[#6](-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6,#7]):[#6](:[#7]:1)-[#6]-[#6,#8]-[#6] Row: 416 Displacement of [3H]CP-55940 from human recombinant CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]-,=[#6]=,-[#6,#7]-[#6,#7]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 417 Displacement of [3H]-M-MPEP from mGlu5 receptor in Sprague-Dawley rat cortex after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#6](-[#8])-[#6]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6,#7]:1)-[#6,#8,#9,#17] Row: 418 Displacement of [125I]RTI55 from cloned human DAT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 10 [#6,#7,#8]-,=[#6](-[#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#7,#6] Row: 419 Inhibition of porcine kidney APN assessed as decrease in p-nitroanilide release using L-leucine-p-nitroanilide as substrate by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 13 [#7]-[#6]1-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1=[#8] Row: 420 Inhibition of recombinant human carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay at pH 8.3 * postgresql://localhost/chembl_23 Mean nAts 6.4, mcs nAts: 0 Row: 421 Binding affinity against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 52.7, mcs nAts: 32 [#6]-[#6](-[#6])-[#8,#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#8])-[#6](-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6]-[#6,#7])-[#6](=[#8])-[#7]-[#6] Row: 422 Displacement of FITC-geldanamycin from recombinant HSP90beta (unknown origin) after 2 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-[#6]1(-[#6])-[#6]-[#6](=[#8])-[#6]2:,=[#6](-[#6]-1):,-[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#6]:,-2 Row: 423 Inhibition of recombinant human carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay at pH 8.3 * postgresql://localhost/chembl_23 Mean nAts 6.4, mcs nAts: 0 Row: 424 Inhibition of P-glycoprotein in human drug-resistant K562/ADR cells assessed as reduction in P-gp mediated rhodamine 123 efflux by spectrofluorometry * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 27 [#6,#7]-[#7,#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6](=[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#16]:[#6]:1=[#6]1-[#6](=[#8])-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 425 Inhibition of human recombinant Abl by filter-binding assay * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 21 [#7]-[#6]1:[#7]:[#6](-[#16,#7]-[#6]):[#7]:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]-[#6](-[#17,#35])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 426 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 427 Antagonist activity at recombinant human adenosine A2B receptor expressed in CHOK1 cell membrane assessed as inhibition of NECA-stimulated adenylyl cyclase activity incubated for 20 mins in presence of [alpha32P]ATP * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 17 [#17,#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#16]:2)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 428 Binding affinity to dopamine D1 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#8,#6] Row: 429 Displacement of [3H]N-alpha methyl histamine from rat cortical membrane histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 7 [#7,#6,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 430 Displacement of [3H]granisetron from human 5HT3A receptor expressed in HEK293 cells by filter binding assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7] Row: 431 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 432 Displacement of [3H]N-alpha methyl histamine from human cloned histamine H3 receptor expressed in C6 cells * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 7 [#7,#6,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 433 Displacement of [3H]N-methylspiperone from human D2L receptor expressed in CHO cells after 1.5 hrs by microbeta counting method * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 9 [#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6,#7]-,:[#6]-,:1)-[#6,#8]-[#6,#8]-[#6] Row: 434 Displacement of FITC-geldanamycin from recombinant HSP90alpha (unknown origin) after 2 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-[#6]1(-[#6])-[#6]-[#6](=[#8])-[#6]2:,=[#6](-[#6]-1):,-[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#6]:,-2 Row: 435 Inhibition of human CA1 cytosolic isoform after 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#16] Row: 436 Inhibition of [3H]NBTI binding to nucleoside transport protein of human erythrocyte membrane * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 27 [#8]=[#7](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#16]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6]:1 Row: 437 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 9 [#6,#7,#8]-,=,#[#8,#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6,#8,#9,#17] Row: 438 Inhibition of human recombinant carbonic anhydrase 9 catalytic domain by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 439 Displacement of [3H]ZM241385 from human A2A receptor expressed in HEK293 cell membranes * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6](:[#7])-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6] Row: 440 Displacement of [3H]-N-methylspiperone from rat recombinant dopamine D2 short receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 13 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]2-,:[#6](-,:[#6]-,:1)-,:[#6](:,-[#6]:,-[#6,#7]:,-[#6]):,-[#6]-[#7,#6]-2 Row: 441 Inhibition of human full length recombinant carbonic anhydrase 6 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 442 Inhibition of Astrosclera willeyana recombinant GST-tagged astrosclerin 3 expressed in Escherichia coli BL21-DE3-RIPL cells preincubated for 15 mins measured for 10 to 100 secs by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 443 Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 19 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#7,#6]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 444 Binding affinity to human androgen receptor expressed in CV1 cells * postgresql://localhost/chembl_23 Mean nAts 20.9, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7,#8]:[#6](:[#6]:[#6]:2-[#6](-[#9])(-[#9])-[#9])=,-[#8] Row: 445 Displacement of [125I][Tyr14]nociceptin from human cloned ORL1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 26 [#7,#6]-[#6,#7]-[#6]1(-[#6,#7])-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 446 Inhibition of Bacillus thermoproteolyticus TLN using 2-furanacryloyl-Gly-Leu-NH2 substrate by biochemical assay * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 23 [#6]-[#6]-[#7]-[#6](=[#8])-[#6](-[#6])-[#7]-[#15](=[#8])(-[#8])-[#6]-[#7]-[#6](=[#8])-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 447 BindingDB_Patents: Binding Assay. Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 µg protein) were incubated for 60 min at 25° C. with 1.4 µM of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 µM 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro 3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 21 [#8]=[#6]1:,-[#6]:,-[#6,#7](-[#8,#6]):,-[#6]:,-[#6,#7]:,-[#7]:,-1-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6,#7]:1):[#7]:[#6]1:[#6]:2-[#6]-[#7]-[#6]-[#6]-1 Row: 448 Inhibition of PKAalpha (1 to 351 amino acids) (unknown origin) using Leu-Arg-Arg-Ala-Ser-Leu-Gly as substrate by pyruvate kinase/lactate dehydrogenase coupled assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 21 [#8]=[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]1:[#7,#6,#16]:[#6](-[#6]2:[#6]:[#6]:[#7]:[#6]:[#6,#7]:2):[#6,#7,#16]:[#16,#6,#7]:1 Row: 449 BindingDB_Patents: Binding Assay. Kippa-Opioid Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (kippa) (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 mM at 4 C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of kippa receptor membranes were stored at -80 C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant lc opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 32 [#6]-[#8]-[#6]12-[#6]-[#6]-[#6]3(-[#6]-[#6]-1-[#6]-[#7]-[#6,#16](=,-[#8,#6])-,=[#6,#7,#8])-[#6]14-[#6]-2-[#8]-[#6]2:[#6]-1:[#6](-[#6]-[#6]-3-[#7](-[#6]-[#6]-4)-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:2-[#8] Row: 450 Inhibition of PTP1B (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 37.7, mcs nAts: 13 [#7,#8](-[#6]-[#6]=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=,-[#8])-,=[#8] Row: 451 Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 17 [#17,#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#16]:2)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 452 Displacement of [3H]HEMADO from recombinant human adenosine A3 receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 17 [#17,#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#16]:2)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 453 Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in HEK293-EBNA cells * postgresql://localhost/chembl_23 Mean nAts 13.6, mcs nAts: 11 [#7,#6,#8,#17]-[#6,#7]1=,-,:[#7,#6]-,:[#6]2:,-[#6,#7]:,-,=[#6,#7]:,-[#6,#7]:,-,=[#6,#7]:,-[#6]:2-,:[#6,#7]-,=,:[#7,#6]-,:1 Row: 454 Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.1, mcs nAts: 7 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 455 Binding affinity to Homo sapiens (human) alpha1A adrenergic receptor * postgresql://localhost/chembl_23 Mean nAts 43.9, mcs nAts: 35 [#7,#6,#8]-,=[#6](=,-[#8,#7])-[#6]1=[#6](-[#6])-[#7]-[#6](=[#6](-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6] Row: 456 BindingDB_Patents: FLIPR Assay. The agonistic or antagonistic effect of the substances to be tested on the vanilloid receptor 1 (VR1) can also be determined using the following assay. In this assay, the influx of Ca2+ through the channel is quantified with the aid of a Ca2+-sensitive dye (type Fluo-4, Molecular Probes Europe BV, Leiden, the Netherlands) in a fluorescent imaging plate reader (FLIPR, Molecular Devices, Sunnyvale, USA).Method:Chinese hamster ovary cells (CHO K1 cells, European Collection of Cell Cultures (ECACC) United Kingdom) are stably transfected with the VR1 gene. For functional testing, these cells are plated out on poly-D-lysine-coated black 96-well plates having a clear base (BD Biosciences, Heidelberg, Germany) at a density of 25,000 cells/well. The cells are incubated overnight at 37 C. and 5% CO2 in a culture medium (Ham's F12 nutrient mixture, 10% by volume of FCS (foetal calf serum), 18 ug/ml of L-proline). The next day the cells are incubated with Fluo-4. * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 26 [#8]=[#6](-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#7]:1-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 457 Inhibition of mouse recombinant carbonic anhydrase 15 by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.9, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 458 Inhibition of ROCK1 (6 to 553 amino acids) (unknown origin) using Lys-Lys-Arg-Asn-Arg-Thr-Leu-Ser-Val as substrate preincubated for 15 mins followed by ATP addition by pyruvate kinase/lactate dehydrogenase coupled assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 21 [#8]=[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]1:[#7,#6,#16]:[#6](-[#6]2:[#6]:[#6]:[#7]:[#6]:[#6,#7]:2):[#6,#7,#16]:[#16,#6,#7]:1 Row: 459 Binding affinity for human dopamine D3 receptor * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 22 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]=,-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17])-[#17])-,=[#6,#8] Row: 460 Displacement of [3H]5-carboxamidotryptamine to human 5HT1A expressed in HEK293 cells by filter binding assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7] Row: 461 Inhibition of human PNP by xanthine-oxidase coupled assay * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 12 [#8]=[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#6]:2-[#6]-[#7,#6] Row: 462 Binding affinity for human dopamine D2 receptor * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 22 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]=,-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17])-[#17])-,=[#6,#8] Row: 463 Displacement of [125I]-AB-MECA from human A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]:[#6](:[#6]:1):[#7]:[#6](:[#7])-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6] Row: 464 Inhibition of human recombinant adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 7 [#6,#7,#8]-[#7,#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-[#6,#7,#8]:,-1 Row: 465 Displacement of [125I]BTX from rat alpha7 nicotinic acetylcholine receptor expressed in GH4C1 cells * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 18 [#6]1:[#6,#7]:[#6,#7]:[#6]2:[#6](:[#6,#7]:1):[#7,#8]:[#6](:[#8,#7]:2)-[#7]1-[#6]-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2 Row: 466 Displacement of [3H]Nociceptin from human recombinant NOP receptor expressed in CHO cells by scintillation counter * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 12 [#7,#6]-,:[#6,#7]-,:[#6]-,:[#6]-,:[#6]1:,-[#16,#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-1-,:[#6]-,:[#6]-,:[#8,#6] Row: 467 Displacement of [3H]LY278584 from mouse 5HT3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 18 [#6]1:[#6,#7]:[#6,#7]:[#6]2:[#6](:[#6,#7]:1):[#7,#8]:[#6](:[#8,#7]:2)-[#7]1-[#6]-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2 Row: 468 Binding affinity against cloned human 5-hydroxytryptamine 6 receptor expressed in HeLa cells using [3H]LSD * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 18 [#6,#8]-,=[#16,#6](=,-[#8,#6,#7])-[#7]1:[#6]:[#6](-[#6]2=,-[#6]-[#6]-[#7]-[#6]-[#6]-2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 469 Inhibition of recombinant matriptase (unknown origin) using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 470 BindingDB_Patents: Radioligand Binding Assays. The CB1 and CB2 radioligand binding assays described herein are utilized to ascertain the selectivity of compounds of the present application for binding to CB2 relative to CB1 receptors.HEK293 cells stably expressing human CB2 receptors were grown until a confluent monolayer was formed. Briefly, the cells were harvested and homogenized in TE buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA) using a polytron for 210 second bursts in the presence of protease inhibitors, followed by centrifugation at 45,000xg for 20 minutes. The final membrane pellet was re-homogenized in storage buffer (50 mM Tris-HCl, 1 mM MgCl2, and 1 mM EDTA and 10% sucrose) and frozen at -78 C. until used. Saturation binding reactions were initiated by the addition of membrane preparation (protein concentration of 5 ug/well for human CB2) into wells of a deep well plate containing [3H]CP 55,940 (120 Ci/mmol, a nonselective CB agonist commercially available from Tocris) in assay buffer. * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 20 [#6,#8]-,=[#6]-[#6]-[#7]1:[#6]:[#6]:[#16]:[#6]:1=[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#17,#6,#35]):[#6]:[#6]:[#6]:1-[#8,#7]-[#6,#7] Row: 471 Displacement of 0.1 nM [125I]CCL2 from human CCR2 expressing human U2OS cell membrane by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 26 [#6]-[#6](-[#6])-[#6]1(-[#6](=[#8])-[#7]2-[#6]-[#6]-[#6,#7]:,-[#6]-[#6]-2)-[#6]-[#6]-[#6](-[#6]-1)-[#7]-[#6]1-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 472 Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 20 [#8,#6,#9]-[#6]1:[#6]:[#6](-[#7]-[#6,#16](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7] Row: 473 Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 474 Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 475 Displacement of [3H]NECA from recombinant human adenosine A2A receptor expressed in CHO cell membrane after 3 hrs by microbeta scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 17 [#17,#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#16]:2)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 476 Binding affinity at human GnRH receptor * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 11 [#6,#7]1:[#6,#7](-[#6]):[#6,#7]:[#7,#6](:[#6](:[#7,#6]:1)=[#8])-[#6]-[#6,#8]-[#7,#6] Row: 477 Inhibition of archaeon Methanosarcina thermophila gamma-CA after 15 mins by stopped-flow/Co2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 478 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 479 Inhibition of binding to human D3 receptor expressed in HEK 293 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 6 [#6,#7]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-1 Row: 480 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 481 Binding affinity against opioid receptor kappa 1 using [3H]-U-69,593 as radioligand in guinea pig brain membranes. * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#6,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 482 Inhibitory concentration against recombinant human Cathepsin L at 37 degree C at pH 5.5 * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6](-[#6,#7]-[#6](-,=[#6,#8])-[#6])-[#7,#6] Row: 483 Inhibitory concentration against recombinant human Cathepsin S at 37 degree C at pH 5.5 * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6](-[#6,#7]-[#6](-,=[#6,#8])-[#6])-[#7,#6] Row: 484 Inhibition of Homo sapiens (human) recombinant protoporphyrinogen oxidase expressed in Escherichia coli JM109 assessed as oxidation of protoporphyrinogen IX substrate by UV-visible spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 24 [#6,#8]=,-,#[#6,#8]-[#6]-[#16]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#7]3:[#7]:[#6](-[#6](-[#6])(-[#6])-[#6]):[#8]:[#6]:3=[#8]):[#6](:[#6]:[#6]:2:[#16]:1)-[#9,#17,#35] Row: 485 Inhibition of human carbonic anhydrase 2 * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16](-,=[#7,#8])(=[#8])=,-[#8,#7] Row: 486 Inhibition of recombinant human IDH1 R132H mutant expressed in Escherichia coli using alpha-KG as substrate preincubated for 5 mins followed by substrate addition measured every 30 secs by microplate reader analysis * postgresql://localhost/chembl_23 Mean nAts 18.4, mcs nAts: 14 [#8,#16]=[#6]1-[#7]-[#6](=,-[#16,#6,#7,#8])-,=[#7,#6,#16]-[#6,#7]-1=,-[#6]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:1 Row: 487 Displacement of [3H]-epibatidine from histidine-tagged Lymnaea stagnalis AChBP expressed in Sf9 cells after 1.5 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 6 [#6,#7]1:,-[#6,#7]:,-,=[#6,#7,#8]:,-[#6,#7]:,-[#7,#6,#8]:,-[#6,#7]:,-1 Row: 488 Inhibition of Pseudomonas aeruginosa PAO1 type-2 beta-carbonic anhydrase psCA3 expressed in Escherichia coli Tuner BL21 (DE3) cells pre-incubated for 15 mins at pH 8.3 and 293K by CO2 hydration reaction based colorimetric stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 6.7, mcs nAts: 0 Row: 489 Inhibitory activity on aminopeptidase N (APN) using Ala-pNA as substrate. * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 18 [#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#6]-[#15](=[#8])(-[#8])-[#6](-[#6,#7])-[#7,#6])-[#6](=[#8])-[#8] Row: 490 Inhibitory activity on neutral endopeptidase (NEP) using DGNPA as substrate. * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 18 [#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#6]-[#15](=[#8])(-[#8])-[#6](-[#6,#7])-[#7,#6])-[#6](=[#8])-[#8] Row: 491 Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 21 [#6]-[#6]-[#7](-[#6](-[#6,#9])=,-[#8,#6,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-[#7]-[#6](=[#8])-[#6])-[#8]-[#6] Row: 492 BindingDB_Patents: Fluorescence Resonance Energy Transfer (FRET) Assay. Potency of test compounds were determined by measurement of their inhibition of BACE1 activity toward a fluorescent substrate. Experiments were performed by reference to the procedure as described in Ermolieff, et al. (Biochemistry 39:12450-12456 (2000), the teachings of which are incorporated hereby in their entirety). Briefly, the recombinant protease unit of BACE1 was prepared from E. coli expression as inclusion bodies, refolded, and purified as described in Lin, et al., (Proc. Nat. Acad. Sci. 97:1456-1460 (2000)). Fluorogenic substrate, MCA-SEVNLDAEFK(DNP)-NH2 (SEQ ID NO:1) was purchased. (M-2485, Bachem Americas, Torrance, Calif.). The substrate was derived from 10 amino acids of the human amyloid precursor protein (APP), with the Swedish variant amino acids at the beta-secretase cleavage site. The terminal amino acid was modified from arginine to lysine to facilitate derivatization with a functional group for detection by autofluorescence. * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 16 [#7]-[#6]1=[#7,#6]-[#6]2(-[#6]-,:[#8,#6,#16]-1)-[#6]1:[#6]:[#6](-[#35,#6,#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6]-2 Row: 493 Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO-K1 cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 21 [#6]-[#6]-[#7](-[#6](-[#6,#9])=,-[#8,#6,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-[#7]-[#6](=[#8])-[#6])-[#8]-[#6] Row: 494 Displacement of [3H]ZM241385 from human adenosine A2B receptor expressed in CHO cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 21 [#6]-[#6]-[#7](-[#6](-[#6,#9])=,-[#8,#6,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-[#7]-[#6](=[#8])-[#6])-[#8]-[#6] Row: 495 Displacement of [3H]CP101606 from NR2B in rat brain minus cerebellum membrane * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 15 [#6]-[#7,#6]-[#6,#7]-[#6]1:[#6]:[#7,#6]:[#6,#7]:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 496 Displacement of FITC-geldanamycin from recombinant TRAP1 (unknown origin) after 2 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-[#6]1(-[#6])-[#6]-[#6](=[#8])-[#6]2:,=[#6](-[#6]-1):,-[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#6]:,-2 Row: 497 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 17 [#7,#6]-[#6]1:[#6,#7]:[#6](-[#7]-[#6](-,=[#6,#8])=,-[#8,#6,#7]):[#7,#6]:[#6](:[#7]:1)-[#7]1:,-[#7,#6]:,-[#6]:,-[#6]:,-[#6]:,-1-[#6] Row: 498 Inhibition of human carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 13 [#7,#6,#16]-,=[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 499 Displacement of [3H]CCPA from recombinant human adenosine receptor A1 expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 500 Inhibition of full length Mycobacterium tuberculosis H37Rv recombinant carbonic anhydrase 2 encoded by RV3588c by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 501 Inhibition of human recombinant CA2 by stopped-flow hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 502 Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 13 [#7,#6,#16]-,=[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 503 Inhibition of Saccharomyces cerevisiae recombinant CA expressed in Escherichia coli by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 504 Inhibition of cloned Stylophora pistillata alpha-CA expressed in human HEK293 cells by stopped-flow CO2 assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 505 Inhibition of human recombinant CA2 by stopped-flow CO2 assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 506 Inhibition of human recombinant CA1 by stopped-flow CO2 assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 507 Inhibitory activity against Carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 8 [#6]1:,-[#6]:,-[#6,#16]:,-[#6]:,-[#6,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 508 Inhibitory activity against Carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 8 [#6]1:,-[#6]:,-[#6,#16]:,-[#6]:,-[#6,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 509 Binding affinity to human adrenergic Alpha-1B receptor expressed in rat intact fibroblasts * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 19 [#6]-[#7]1:[#7]:[#6](-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2):[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:2 Row: 510 Displacement of [3H]E-3-(2-chloro-8-methylquinolin-3-yl)-1-(thiophen-2-yl)prop-2-en-1-one from mGluR1 in rat cerebellar membrane after 14 to 16 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 8 [#6,#8]=,-[#6,#7,#8]-[#6]1:,-[#6,#7]:,-[#7,#6]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 511 Inhibitory activity against Carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 8 [#6]1:,-[#6]:,-[#6,#16]:,-[#6]:,-[#6,#16]:,-[#6,#7]:,-1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 512 Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counter * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 7 [#8,#6,#7]-,=[#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 513 Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 13 [#7,#6,#16]-,=[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 514 Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 21 [#8,#6]-[#6,#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 515 Displacement of [3H]-citalopram from human serotonin transporter expressed in HEK 293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 21 [#6,#8]-[#8,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 516 Displacement of FITC-geldanamycin from recombinant GRP94 (unknown origin) after 2 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 18 [#6]-[#6]1(-[#6])-[#6]-[#6](=[#8])-[#6]2:,=[#6](-[#6]-1):,-[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):,-[#6]:,-[#6]:,-2 Row: 517 Displacement of [3H]MSX2 from adenosine receptor A2a in rat brain striatal membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 518 Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase method * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 519 Inhibition of human recombinant CA2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 520 Displacement of [3H]prozosin from bovine cloned Alpha-1A receptor expressed in BHK cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 8 [#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 521 Inhibition of Candida albicans recombinant Nce103 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 522 Displacement of [3H]prozosin from human cloned dopamine D2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 8 [#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 523 Inhibition of Trypanosoma brucei rhodesiense rhodesain * postgresql://localhost/chembl_23 Mean nAts 38.9, mcs nAts: 14 [#6,#8](-[#7,#6]-[#6])-[#6](=[#8])-[#7,#6]1-[#6,#7](-[#6](=,-[#8,#6])-,=[#8])-[#6,#7]-1-[#6](=[#8])-[#8,#6] Row: 524 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 525 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 526 Displacement of [3H]SCH58261 from human recombinant A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 22 [#7]1:[#6](-[#7]-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6,#8,#9,#17]):[#7]:[#6]2:[#6]:1:[#7,#6]:[#6]:[#6](:[#6,#7]:2)-[#6](-,=[#7,#8])=,-[#8,#7] Row: 527 Inhibition constant against Bacillus subtilis DNA topoisomerase III (wild type). * postgresql://localhost/chembl_23 Mean nAts 17.4, mcs nAts: 15 [#8]=,-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6](:[#7]:1)=,-[#8] Row: 528 Inhibition constant against Bacillus subtilis azp-12 DNA topoisomerase III (mutant enzyme). * postgresql://localhost/chembl_23 Mean nAts 17.4, mcs nAts: 15 [#8]=,-[#6]1:[#6]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6](:[#7]:1)=,-[#8] Row: 529 Displacement of [3H]NECA from recombinant rat adenosine receptor A3 expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 530 Inhibition of TYK2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 23 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-1)-[#6]1:[#6](-[#17,#9]):[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 531 Displacement of [3H]PSB-603 from recombinant rat adenosine receptor A2b expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 532 Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in mouse CRF-R2 beta expressed in COS-M6 cells after 90 mins by gamma counting assay * postgresql://localhost/chembl_23 Mean nAts 278.9, mcs nAts: 60 [#6,#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6](=[#8])-[#8])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]=,-[#8,#6,#7])-[#6](-,=[#6,#8])-[#6,#7]-[#6] Row: 533 Binding affinity against opioid receptor mu 1 using [3H]DAMGO as radioligand in guinea pig brain membranes. * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#6,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 534 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 535 Compound was tested for inhibition activity against bovine trypsin. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#7]-[#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6](:,=[#7,#6]:,-1)-[#8,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 536 Inhibitory concentration against recombinant human Cathepsin K at 37 degree C at pH 5.5 * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6](-[#6,#7]-[#6](-,=[#6,#8])-[#6])-[#7,#6] Row: 537 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 538 Inhibition of human recombinant CA1 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 539 Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1D receptor expressed in CHOK1 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 43.9, mcs nAts: 11 [#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#8,#6,#7] Row: 540 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced increase in intracellular Ca2+ level by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 29 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#17,#6,#7,#35])-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 541 Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase 1 encoded by Rv1284 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 542 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 16 [#7]-[#6]1:[#7]:[#6](-[#8,#7]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 543 Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 23 [#8,#6,#7,#9]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6,#8]:[#6](:[#6,#7]:1):[#6]:[#6]:[#6]:[#6] Row: 544 Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 23 [#8,#6,#7,#9]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6,#8]:[#6](:[#6,#7]:1):[#6]:[#6]:[#6]:[#6] Row: 545 Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 30 [#6]-[#6,#7]-[#6](-[#7,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1-[#6,#8]-[#6,#8,#16]-[#8,#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 546 Displacement of [3H]CP-55940 from human cloned CB2 receptor by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 17 [#6,#35]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6,#7] Row: 547 Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 23 [#8,#6,#7,#9]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6,#8]:[#6](:[#6,#7]:1):[#6]:[#6]:[#6]:[#6] Row: 548 Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 20 [#8]=[#6](-[#7]-[#7,#6])-[#6]1:[#6]:[#6](-[#7]2:[#6]:[#6]:[#6]:[#6]:2):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 549 Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 20 [#8]=[#6](-[#7]-[#7,#6])-[#6]1:[#6]:[#6](-[#7]2:[#6]:[#6]:[#6]:[#6]:2):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 550 Inhibition of human urine urokinase using L-PyroGlu-Gly-Arg-pNA.HCl substrate at 5 uM * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 19 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6](-[#7,#6,#8]):[#6]:[#6](:[#6]:1)-[#8,#6]-,=[#6,#7,#8] Row: 551 Binding affinity to human cloned NPY Y5 receptor expressed in african green monkey COS7 cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 17 [#6,#7,#8]-,=[#16](=[#8])(=,-[#8,#6,#7])-[#7]-[#6]-[#6]-[#6,#8]-[#6]-[#6]-[#7]-[#6]1:[#7]:[#6](-[#6]):[#6]:[#16]:1 Row: 552 Displacement of [3H]PSB-603 from recombinant human adenosine receptor A3 expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 553 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 26 [#6,#7]-[#7,#6]-[#6]1(-[#6,#7])-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 554 Displacement of [3H]PSB-603 from recombinant human adenosine receptor A2b expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 555 Binding affinity to human adrenergic alpha1A receptor expressed in rat intact fibroblasts * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 19 [#6]-[#7]1:[#7]:[#6](-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2):[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:2 Row: 556 Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortical membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#7,#6]-[#6,#7]-1 Row: 557 Antagonist activity at human TRPV1 expressed in CHOK1 cells assessed as inhibition of capsaicin-induced activity by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 30 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#16]-,=[#6,#8])-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 558 Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by beta-counting * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 9 [#6,#7]-,#[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 559 Displacement of [3H]PK11195 from peripheral benzodiazepine receptor of rat cerebral cortex * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 20 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#7]:1:[#6]:[#6](:[#6]:[#6]:2)-[#17] Row: 560 Inhibition of human recombinant AChE by modified Ellman's spectrophotometric method * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 17 [#7,#8]-,=[#6](=,-[#8,#7])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#16]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 561 Displacement of [125I]pig PPY from human NPY1 receptor expressed in CHOK1 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7,#16]:[#6](:[#16,#7]:2)-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6] Row: 562 Inhibition of human plasma BuChE by modified Ellman's spectrophotometric method * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 17 [#7,#8]-,=[#6](=,-[#8,#7])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#16]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 563 Displacement of [3H]MSX2 from recombinant human adenosine receptor A2a expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6,#7]-[#7,#6]-1 Row: 564 Binding affinity against purified rat Fatty-acid amide hydrolase (FAAH) expressed in Escherichia coli * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 12 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#16,#6]-[#6]1:[#7]:[#6,#7]:[#6]:[#8]:1 Row: 565 Binding affinity to human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 22 [#7,#6,#8]-,=[#6,#16]-[#6]1-[#6]-[#6]-[#6](-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 566 Inhibition of Pim3 (unknown origin) using 5FAM-ARKRRRHPSGPPTA as substrate after 90 mins * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#6]-[#6]1:[#7,#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#7,#6]:[#6]:2)-[#6,#7] Row: 567 Binding affinity to human GPR119 in HEK293FT cell membrane by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 28 [#6]-[#6]-[#8]-[#6](=[#8])-[#7]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#7]-3-[#6]1:[#7]:[#6]:[#7]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1 Row: 568 Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells after 1.5 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 6 [#6,#7]1:,-[#6,#7]:,-,=[#6,#7,#8]:,-[#6,#7]:,-[#7,#6,#8]:,-[#6,#7]:,-1 Row: 569 Displacement of [3H]-8-OH-DPAT from human 5-HT1A receptor expressed in HEK293 cells after 1 hr by beta-counting * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 9 [#6,#7]-,#[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6] Row: 570 Inhibition of human cloned CA9 catalytic domain by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 9 [#6]-[#8,#6,#7,#16]-[#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 571 Inhibition of human recombinant PARP1 * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 13 [#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6] Row: 572 Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells assessed as residual [beta-33P] bound to plate after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 23 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1-[#8,#7,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 573 Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 11.2, mcs nAts: 4 [#6,#8]-,=[#6,#7](-,=[#6,#7,#8])-,=[#6,#7,#8] Row: 574 Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 21 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6]1:[#6]:[#6,#7]:[#6](:[#7,#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6,#7]:[#6](:[#6]:1)-[#17,#6,#9] Row: 575 Binding affinity to TP receptor * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 18 [#6,#7,#8]-,=[#6,#16]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6](:[#6]-,:1):[#6]:[#6]:[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 576 Inhibition of human CK2 alpha * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 19 [#7,#6]#,-[#6]-[#6](:[#6]:[#7]):[#6]1:[#7]:[#6](:[#7]:[#6](:[#7]:1)-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1)-[#7] Row: 577 Displacement of [3H]DPDPE from cloned human delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 27 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 578 Binding affinity to DP receptor * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 18 [#6,#7,#8]-,=[#6,#16]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6](:[#6]-,:1):[#6]:[#6]:[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 579 Displacement of [3H]RTX from human TRPV1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 16 [#6]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1 Row: 580 Displacement of [125I]ABMECA from adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 26 [#6]-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]1:[#7]:[#6](-[#7]-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#8]-[#6](-[#6]-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 581 Binding affinity to PA N-terminal domain (Competitive) * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 9 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#6]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 582 Displacement of [3H]CT from human 5-HT7 receptor expressed in CHO cells by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 26 [#8]=[#6]1-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-,=[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1 Row: 583 HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHEK293PHEK293-HEK2935HEK2935HEK293,HEK2939HEK2934HEK2930HEK293 HEK293fHEK293rHEK293oHEK293mHEK293 HEK293hHEK293uHEK293mHEK293aHEK293nHEK293 HEK293rHEK293eHEK293cHEK293oHEK293mHEK293bHEK293iHEK293nHEK293aHEK293nHEK293tHEK293 HEK293CHEK293BHEK2931HEK293RHEK293 HEK293eHEK293xHEK293pHEK293rHEK293eHEK293sHEK293sHEK293eHEK293dHEK293 HEK293iHEK293nHEK293 HEK293HHEK293EHEK293KHEK293-HEK2932HEK2939HEK2933HEK293 HEK293cHEK293eHEK293lHEK293lHEK293sHEK293 HEK293aHEK293fHEK293tHEK293eHEK293rHEK293 HEK2939HEK2930HEK293 HEK293mHEK293iHEK293nHEK293sHEK293 HEK293bHEK293yHEK293 HEK293lHEK293iHEK293qHEK293uHEK293iHEK293dHEK293 HEK293sHEK293cHEK293iHEK293nHEK293tHEK293iHEK293lHEK293lHEK293aHEK293tHEK293iHEK293oHEK293nHEK293 HEK293cHEK293oHEK293uHEK293nHEK293tHEK293iHEK293nHEK293gHEK293 * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 23 [#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6] Row: 584 HEK293DHEK293iHEK293sHEK293pHEK293lHEK293aHEK293cHEK293eHEK293mHEK293eHEK293nHEK293tHEK293 HEK293oHEK293fHEK293 HEK293[HEK2933HEK293HHEK293]HEK293CHEK293PHEK293-HEK2935HEK2935HEK293,HEK2939HEK2934HEK2930HEK293 HEK293fHEK293rHEK293oHEK293mHEK293 HEK293hHEK293uHEK293mHEK293aHEK293nHEK293 HEK293rHEK293eHEK293cHEK293oHEK293mHEK293bHEK293iHEK293nHEK293aHEK293nHEK293tHEK293 HEK293CHEK293BHEK2932HEK293RHEK293 HEK293eHEK293xHEK293pHEK293rHEK293eHEK293sHEK293sHEK293eHEK293dHEK293 HEK293iHEK293nHEK293 HEK293HHEK293EHEK293KHEK293-HEK2932HEK2939HEK2933HEK293 HEK293cHEK293eHEK293lHEK293lHEK293sHEK293 HEK293aHEK293fHEK293tHEK293eHEK293rHEK293 HEK2939HEK2930HEK293 HEK293mHEK293iHEK293nHEK293sHEK293 HEK293bHEK293yHEK293 HEK293lHEK293iHEK293qHEK293uHEK293iHEK293dHEK293 HEK293sHEK293cHEK293iHEK293nHEK293tHEK293iHEK293lHEK293lHEK293aHEK293tHEK293iHEK293oHEK293nHEK293 HEK293cHEK293oHEK293uHEK293nHEK293tHEK293iHEK293nHEK293gHEK293 * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 23 [#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6] Row: 585 Displacement of [3H]DAMGO from cloned human mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 27 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 586 Binding affinity for melanocortin-4 receptor transfected in HEK 293 cells using [125I]NDP-MSH as radioligand * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 29 [#6,#7,#8]-,=[#6,#16]-[#7]-[#6](-[#6]-[#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#16]:1 Row: 587 Binding affinity for platelet activating factor receptor using [3H]PAF in rabbit platelet membranes * postgresql://localhost/chembl_23 Mean nAts 40.6, mcs nAts: 33 [#6,#7,#8]-,=[#6]-[#7]1:[#6]:[#6](-[#6](=[#8,#7])-[#6]2:[#6]:[#6]:[#7]3:[#6]:2-[#6]-[#16]-[#6]-3-[#6]2:,=[#6]:,-[#6,#7]:,-[#6]:,-[#7,#6]:,=[#6]:,-2):[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#6]1:[#6]:[#6,#7]:[#6]:[#6,#7]:[#6]:1 Row: 588 Inhibition of human recombinant CA14 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 9 [#6]-[#8,#6,#7]-[#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 589 Inhibitory activity against HIV-1 protease in tandem assay. * postgresql://localhost/chembl_23 Mean nAts 39.3, mcs nAts: 27 [#6]-[#6,#8]-[#6]-[#6]1(-[#6]-[#6,#8]-[#6])-[#6,#8]-[#6](=,-[#8])-,=[#6](=,-[#6](-[#8,#6]-1)-,=[#8])-[#6](-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#16](=[#8])(=[#8])-[#6] Row: 590 Inhibition of human factor 9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 11 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 591 Displacement of [3H]epibatidine from rat alpha7 nAChR transfected in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 13 [#6,#7,#8]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6,#7]:,-[#6,#7]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#7,#6]:1)-[#7,#6] Row: 592 Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 22 [#6]-[#8]-[#7]-[#6]1:[#7]:[#6](-[#53,#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 593 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 594 Inhibition of TPPII in rat cerebral membrane * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 7 [#6,#7]-[#6]-[#6](-[#7,#6])-[#6](=,-[#8,#6,#7])-,=[#7,#6,#8] Row: 595 Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 22 [#6]-[#8]-[#7]-[#6]1:[#7]:[#6](-[#53,#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 596 Displacement of [3H]PDBu from human recombinant PKCalpha expressed in Escherichia coli BL21-21-Gold (DE3) * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 15 [#6]-[#6](=[#8])-[#8]-[#6]-[#6]1(-[#6]-[#8])-[#6]-[#6](=[#6]-[#6])-[#6](-[#8]-1)=[#8] Row: 597 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 598 Displacement of [3H]-(+)-pentazocine from human sigma1 receptor transfected in HEK293 cells after 120 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 11 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#7,#6]-,:[#6](-[#6,#7])-,:[#6]-,:[#6]-,:2 Row: 599 Displacement of [3H]U-69593 from cloned human kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 27 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 600 Inhibition of human carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 37.1, mcs nAts: 13 [#7,#6,#16]-,=[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 601 Inhibition of human cytosolic carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 602 Inhibition of human full length cloned transmembrane carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 37.1, mcs nAts: 13 [#7,#6,#16]-,=[#6,#7]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 603 Displacement of [3H]5-hydroxytryptamine from human cloned 5HT1B receptor expressed in CHOK1 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 44.6, mcs nAts: 13 [#7,#6,#8]-,=[#16,#6]-[#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6] Row: 604 Inhibition of Bcl-XL (unknown origin) using 5-FAM-Bid-BH3 as substrate preincubated for 30 mins before substrate addition measured after 20 mins by fluorescence polarization technique * postgresql://localhost/chembl_23 Mean nAts 44.4, mcs nAts: 35 [#6]-[#6]-[#6](-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6](=[#8])-[#6](=[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#16]-[#6]-1=[#16] Row: 605 Inhibitory activity against bovine pancreatic CEase in presence of pNPB chromogenic substrate by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 22.7, mcs nAts: 11 [#6]-[#7,#6]-[#6,#7]1:,-[#7,#6]:,-[#6]2:[#16]:[#6]:[#6]:[#6]:2:,-[#6]:,-[#8,#6,#16]:,-1 Row: 606 Displacement of [125]PYY from human chimeric NPY Y5 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 26 [#6]-[#6,#16](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7](-[#6])-[#6](=[#8])-[#7]-[#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 607 Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 18 [#6,#7,#8,#9,#17]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-1 Row: 608 Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 8 [#6]-[#6,#7,#8,#16]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1 Row: 609 Inhibition of human recombinant factor 9a by amidolytic assay * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 13 [#7]=[#6](-[#7])-[#6](:[#6,#16]):[#16,#6]:[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#53,#6,#8] Row: 610 Inhibition of [3H]DTBZ binding to VMAT2 in rat synaptic vesicle membranes * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6](-[#7]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 611 Displacement of europium labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 46.4, mcs nAts: 15 [#7,#8]-,=[#6](=,-[#8,#7])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 612 Displacement of europium labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 46.4, mcs nAts: 15 [#7,#8]-,=[#6](=,-[#8,#7])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 613 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 12 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6,#7]:[#6](-[#6]):[#7,#6]:[#6](:[#7]:1)-[#6] Row: 614 Inhibition of human neutrophil elastase * postgresql://localhost/chembl_23 Mean nAts 41.0, mcs nAts: 15 [#6,#7]1-,:[#6,#7]-,:[#6,#8]-,:[#6,#7,#8]-,:[#7,#6]-,:1-[#6](=[#8])-[#6](-[#7]-[#6](=,-[#8,#6])-,=[#8,#6])-[#6](-[#6])-[#6] Row: 615 Binding affinity for muscarinic acetylcholine receptor M3 by measuring displacement of [3H]QNB from guinea pig parotid gland * postgresql://localhost/chembl_23 Mean nAts 16.3, mcs nAts: 9 [#6,#8]-[#6]1-,=[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2 Row: 616 Inhibition of Methanosarcina thermophila recombinant gamma-CA by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 617 Inhibition of human recombinant CA2 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.5, mcs nAts: 0 Row: 618 Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 22 [#6]-[#8]-[#7]-[#6]1:[#7]:[#6](-[#53,#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 619 Displacement of europium labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 46.4, mcs nAts: 15 [#7,#8]-,=[#6](=,-[#8,#7])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 620 Binding affinity to human MCHR1 * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 32 [#6,#8,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]2:[#7]:[#6]:[#7](:[#6](:[#6]:2:[#16]:1)=[#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6](=[#8])-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6] Row: 621 Inhibition of human recombinant CA12 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 9 [#7,#6,#8]-[#16,#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16](:,-[#6,#8]:,-[#6]:,-1)-,=[#17,#6,#8,#16] Row: 622 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 6.4, mcs nAts: 0 Row: 623 Displacement of [3H]Epibatidine from human alpha7 nACHR expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 13.8, mcs nAts: 4 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7,#6] Row: 624 Inhibition of [125I]o-CRF binding to CHO cells expressing human CRF1 receptor * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 22 [#6]-[#6]-[#7]-[#6]1:[#6]:[#6](-[#6]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#6]:2-[#6]1:[#6,#7]:[#7,#6]:[#6](:[#6,#7]:[#6]:1-[#6,#8,#17])-[#6,#7,#8,#17])-[#6] Row: 625 Binding affinity to human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 11 [#6,#7]-[#7,#6,#8]-,#[#6]-[#6]-,#[#6,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7,#8,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 626 Displacement of [125ITyr0-Glu1,Nle17]-PS-Svg in human CRF-R1 expressed in COS-M6 cells after 90 mins by gamma counting assay * postgresql://localhost/chembl_23 Mean nAts 278.2, mcs nAts: 60 [#6,#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6](=[#8])-[#8])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]=,-[#8,#6,#7])-[#6](-,=[#6,#8])-[#6,#7]-[#6] Row: 627 Inhibition of human F9a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#7,#6](:[#6]:1):[#7,#6]:[#6]1:[#6,#7]:2-[#6]-[#6](-[#6]-[#6]-1)(-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6,#7]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#7]1:[#6]:[#7]:[#6,#7]:[#7,#6]:1 Row: 628 Inhibition of human carbonic anhydrase-2 by CO2 hydration reaction based colorimetric stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 629 Inhibition of human cloned CA1 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 9 [#6]-[#8,#6,#7,#16]-[#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 630 Inhibition of human cloned CA2 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 9 [#6]-[#8,#6,#7,#16]-[#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 631 Displacement of [3H]5-HT from human recombinant 5-HT1B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 26 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7] Row: 632 Displacement of (+)-[3H]pentazocine from sigma-1 receptor in guinea pig brain membrane homogenate after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 19 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6,#7]-[#6]-,=[#7,#6,#8] Row: 633 Displacement of [3H]CP-55940 from human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 22.2, mcs nAts: 16 [#6,#7,#8,#16]-,=[#6](-,=[#6,#8,#16])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#16]:,-[#6]:,-1-,=[#7]=,-[#6]1-,:[#7,#6,#16]-,:[#6]-,:[#6]-,:[#6]-,:[#16,#6,#7]-,:1 Row: 634 Displacement of [3H]-5-CT from human 5-HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 15 [#8,#6,#7,#16]=,-[#16,#6,#7]-[#7,#6]-[#6,#7]-[#6,#16]-[#7,#6]1-,:[#6]-,:[#6,#7]-,:[#6]:,-[#6](-,:[#6]-,:1):,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7] Row: 635 Displacement of [3H]-(+)pentazocine from guinea pig brain sigma 1-type opioid receptor after 120 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 13 [#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 636 Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 22 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8,#7]-[#6]1-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-1 Row: 637 Inhibition of human ERG * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 22 [#6]-[#7]1:[#6]:[#6]:[#6](:[#6]:[#6]:1=,-[#8,#6])-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]1-[#6]-[#6]-1 Row: 638 Displacement of [3H]MSX-2 from adenosine A2A receptor in rat brain striatal membrane * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 13 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]:[#7]:2 Row: 639 Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 13 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]:[#7]:2 Row: 640 Displacement of [3H]5-HT from human recombinant 5-HT1D receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 26 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7] Row: 641 Displacement of [3H]WAY100635 from human recombinant 5-HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 26 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7] Row: 642 Displacement of [3H]SNAP-7941 from human MCHR1 expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 39.8, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 643 Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO-K1 cells * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 24 [#6]-[#6]1:[#6](-[#6](=,-[#8,#7])-,=[#7,#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17] Row: 644 Inhibitory constant towards Human melanin-concentrating hormone receptor * postgresql://localhost/chembl_23 Mean nAts 34.9, mcs nAts: 22 [#7]-[#6]-[#6]-[#6](-[#6]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#17] Row: 645 Displacement of [3H]CGP12177 from human beta-1 adrenoceptor * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 16 [#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-,=[#8])-[#8] Row: 646 Displacement of [3H]CGP12177 from human beta2 adrenoceptor * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 16 [#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]2:[#6]:1:[#16]:[#6](:[#7]:2)-,=[#8])-[#8] Row: 647 Binding affinity to human FKBP12 FK1 domain incubated for 30 mins using fluorescein-conjugated 2-(5-((2-(3-((R)-3-(3,4-dimethoxyphenyl)-1-((S)-1-(3,3-dimethyl-2-oxopentanoyl)piperidine-2-carbonyloxy)propyl)phenoxy)acetamido)methyl)-6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid by competitive fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 33 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#6](=[#8])-[#7]2-[#6]-[#6]-[#6]-[#6]-[#6]-2-[#6](=[#8])-[#7]-[#6]-[#6]-,=[#7,#6,#8])-[#6]2-[#6]-[#6]-[#6]-[#6]-[#6]-2):[#6]:[#6](:[#6]:1-[#8]-[#6])-[#8]-[#6] Row: 648 Inhibition of bovine brain MAOB using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 15 [#6]-[#6]1:[#6]:[#6](=[#8]):[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6] Row: 649 BindingDB_Patents: Florescence Polarization Assay. The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation using a fluorescence polarization (FP) methodology well known in the art (Huang, W., et al., J. Biomol Screen, 2002, 7: 215). In particular, the compounds of the Examples had activity in reference assays by exhibiting their ability to inhibit the hydrolysis of the phosphate ester bond of a cyclic nucleotide. Any compound exhibiting a Ki (inhibitory constant) below 1 uM would be considered a PDE10 inhibitor as defined herein.In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following experimental method. PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of human PDE10A2 (Accession No. AF127480, Genbank Identifier 4894716), containing a Kozak consensus sequence. * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 20 [#6]1:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#7]1:[#6](-[#6]-[#6]-[#7,#6]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6,#7]:2 Row: 650 Inhibition of bovine brain MAOA using kinuramine as substrate preincubated for 30 mins prior to substrate addition measured after 30 mins by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 15 [#6]-[#6]1:[#6]:[#6](=[#8]):[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6] Row: 651 Inhibition of human ASBT expressed in MDCK cells assessed as inhibition of [3H]taurocholic acid uptake after 10 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 46.1, mcs nAts: 43 [#6]-[#6](-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#8])-[#6]1-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6]-[#6]1-[#6]-2-[#6](-[#8])-[#6]-[#6]2-[#6]-1(-[#6]-[#6]-[#6](-[#6]-2)-[#8])-[#6])-[#6] Row: 652 BindingDB_Patents: Competitive Binding Assay. hNK3 receptor binding experiment were performed using [3H]SR142801 (Catalog No. TRK1035, specific activity: 74.0 Ci/mmol, Amersham, GE Healthcare UK limited, Buckinghamshire, UK) and membrane isolated from HEK293 cells transiently expressing recombinant human NK3 receptor. * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 33 [#6]-[#7](-[#6](=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6]1-[#6]-[#7](-[#6](=[#8])-[#6]2:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6,#7]:,-[#6]:,-2)-[#6,#7])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 653 Inhibition of human NET * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 17 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 654 Displacement of [3H]histamine from human recombinant histamine H4 receptor * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 21 [#6]1:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#7,#6]):[#6]:[#6]:[#6]:1-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#9,#6]):[#6]:[#6]:[#6]:2:[#7]:1 Row: 655 BindingDB_Patents: Scintillation Proximity Assay. The CCR3 receptor binding assay was performed in a Scintillation Proximity Assay (SPA) design with the radioligand recombinant human 125Iodine-eotaxin-1. Cell membranes of hCCR3 C1 cells were again homogenized by passing through a single use needle (Terumo, 23Gx1'') and diluted in SPA incubation buffer in suitable concentrations (0.5-10 ug protein/well) in 96 well microtiter plates (1450-514, Perkin Elmer). The SPA assay was set up in the SPA incubation buffer with a final volume of 200 ul and final concentration of 25 mM HEPES, 25 mM MgCl2 6H2O, 1 mM CaCl2 2H2O and 0.1% bovine serum albumin. The SPA assay mixture contained 60 ul of the membrane suspension, 80 ul of Wheat Germ Agglutinin coated PVT beads (organic scintillator, GE Healthcare, RPNQ-0001) 0.2 mg/well), 40 ul of recombinant human 125Jodine-eotaxin-1 (Biotrend), diluted in SPA buffer to a final concentration of 30.000 dpm per well. * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 32 [#6,#7,#8]-,=,#[#8,#6]-[#6]1:[#6]:[#6]:[#7,#6]:[#6](:[#6,#7]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6](-[#7]-1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6,#17])-[#17,#9,#35])=[#8] Row: 656 Binding affinity to menin (unknown origin) after 60 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 67.2, mcs nAts: 8 [#6,#7]-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 657 Displacement of [3H]-PK11195 from peripheral benzodiazepine receptor of rat ovary * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 20 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#7]:1:[#6]:[#6](:[#6]:[#6]:2)-[#17] Row: 658 Inhibition of HIV-1 protease. * postgresql://localhost/chembl_23 Mean nAts 44.7, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 659 Mean binding affinity for human H3 receptor * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 10 [#7,#6]#,-[#6,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#8,#6]-,=,#[#6,#7,#8] Row: 660 Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK293 cell membranes by radioligand competition binding assay * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 17 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#7,#6]-[#6,#7] Row: 661 Displacement of [3H]spiperone from human dopamine D2L receptor expressed in CHO cell membranes by radioligand competition binding assay * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 17 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#7,#6]-[#6,#7] Row: 662 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.2, mcs nAts: 0 Row: 663 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.2, mcs nAts: 0 Row: 664 Inhibition of human recombinant mTOR expressed in insect cells using 4E-BP1 substrate after 30 mins by fluorescence resonance energy transfer assay * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 26 [#6]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7]:[#6]2:[#6](:[#6](:[#7]:1)-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-,:[#6,#16]-,:[#8,#6]-,:[#6]-,:2 Row: 665 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membrane by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 18 [#8]=[#6]1:[#6]2:[#6]:[#7]:[#6]3:[#6](:[#6]:2:[#7]:[#6]:[#7]:1-[#6]-[#6]-[#7,#6]):[#6]:[#6]:[#6]:[#6]:3 Row: 666 Inhibition of human recombinant CA1 * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 667 Inhibition of human recombinant CA2 * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 668 Inhibition of Helicobacter pylori recombinant CA * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 669 Displacement of [3H]SMT from human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 16 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#35])-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 670 Displacement of [3H]mesulergine form human recombinant 5HT2C receptor expressed in mouse Swiss 3T3 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 14 [#7,#6,#8]-,=[#16,#7](=,-[#8,#16])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#7]-[#6]-[#6]-2 Row: 671 Displacement of [20-3H]PDBU from recombinant PKCalpha in presence of phosphatidylserine * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 15 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]-[#6]1(-[#6]-[#8])-[#6]-[#6](=[#6]-[#6])-[#6](-[#8]-1)=[#8] Row: 672 Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in HEK-293 cells incubated for 60 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 16 [#6]1:[#6]:[#7](-[#6,#16]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 673 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 18 [#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8] Row: 674 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 18 [#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8] Row: 675 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 5.2, mcs nAts: 0 Row: 676 Displacement of [125I]RTI55 from human NET expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#8]-1)-[#6] Row: 677 Displacement of [125I]RTI55 from human SERT expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#8]-1)-[#6] Row: 678 Displacement of [125I]RTI55 from human DAT expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#8]-1)-[#6] Row: 679 Binding affinity against adenosine A1 receptor from guinea pig forebrain membranes, using N6-[3H]cyclohexyladenosine as radioligand. * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 14 [#6]-[#7](:[#6]=[#8]):[#6](:[#7](:[#6]1:[#6,#7]:[#7,#6](:[#6,#7]:[#7,#6]:1)-[#6])-[#6])=[#8] Row: 680 Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 13 [#6]-[#7](:[#6]=[#8]):[#6](:[#7]:[#6]1:[#6,#7]:[#7,#6](:[#6,#7]:[#7,#6]:1)-[#6])=[#8] Row: 681 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 17 [#7,#6]-[#6]1:[#6,#7]:[#6](-[#7]-[#6](-,=[#6,#8])=,-[#8,#6,#7]):[#7,#6]:[#6](:[#7]:1)-[#7]1:,-[#7,#6]:,-[#6]:,-[#6]:,-[#6]:,-1-[#6] Row: 682 Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 20 [#7,#6]-[#6]1:[#6]:[#6](-[#6]-[#6]2:[#7]:[#7]:[#6](:[#6]3:[#6]:2-[#7]-[#6]-[#6]-[#6]-3)=[#8]):[#6]:[#6]:[#6]:1-[#9] Row: 683 Displacement of [125J]-eotaxin-1 from rat CCR3 transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 28 [#6,#8]-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#16,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#8,#17] Row: 684 Displacement of [125J]-eotaxin-1 from mouse CCR3 transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 28 [#6,#8]-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#16,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#8,#17] Row: 685 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 5.2, mcs nAts: 0 Row: 686 Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 22 [#6]-[#6]-,#[#8,#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 687 Displacement of [125J]-eotaxin-1 from human CCR3 transfected in human K562 cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 28 [#6,#8]-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#16,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#8,#17] Row: 688 Displacement of [3H]DAK from human bradykinin B1 receptor expressed in CHOD cells * postgresql://localhost/chembl_23 Mean nAts 40.4, mcs nAts: 33 [#7,#8]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-2-[#7]-[#6](=[#8])-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 689 Displacement of radioligand from human recombinant TP receptor expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#16,#6,#8]-[#6]1:,-[#6,#7]:,-[#6]:,-[#7,#6]:,-[#6,#7]2:[#6]:,-1:[#6](-[#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6]:[#7,#6]:2 Row: 690 Displacement of radioligand from human recombinant DP1 receptor expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#6]-[#16,#6,#8]-[#6]1:,-[#6,#7]:,-[#6]:,-[#7,#6]:,-[#6,#7]2:[#6]:,-1:[#6](-[#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6]:[#7,#6]:2 Row: 691 Displacement of [125I]human urotensin 2 from human recombinant urotensin 2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 16 [#6]-[#6]-[#7]-[#6]1:[#7,#6]:[#6]:[#6,#7]:[#6]2:[#6]:1:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#7]:2 Row: 692 Displacement of [3H]paroxetine from rat cortical 5HTT reuptake site * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 27 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6]:[#6]:2-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 693 Displacement of radioligand from human CB1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.7, mcs nAts: 24 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1(-[#6](=[#8])-[#7]-[#6](-[#6])-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#9])-[#7]2:[#6,#7]:[#6]:[#6]:[#7,#6]:2)-[#6]-[#6]-1 Row: 694 Inhibition of Mycobacterium tuberculosis TMPK expressed in Escherichia coli by spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 18 [#6]-[#6]1:[#6]:[#7](-[#6]2-[#6,#8]-,=[#6]-[#6](-[#8,#6]-2)-[#6]-[#7,#8]=,-[#7,#6,#15]=,-[#7,#8,#16]):[#6](:[#7]:[#6]:1=[#8])=[#8] Row: 695 Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 37.1, mcs nAts: 32 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6])-[#6])-[#6] Row: 696 Displacement of [3H]diprenorphine from human MOP receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 37.1, mcs nAts: 32 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6])-[#6])-[#6] Row: 697 Inhibition of human Eg5 basal ATPase activity * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 14 [#16,#6,#7,#8,#17,#35]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 698 Displacement of [3H]des-Arg10-KD from human recombinant B1 receptor expressed in HEK293 cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 19 [#6]1:[#6]:[#6](-[#6,#9,#17]):[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7](-[#6])-[#6]-[#6]-,=[#8,#6,#7]-[#6]-[#6,#7](=,-[#8,#6,#7])-,=[#7,#6,#8] Row: 699 Displacement of [125I]IABN from human D3R expressed in HEK293 cell membranes by gamma counting method * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 28 [#8]=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:1)-[#6]1:[#6,#7,#16]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:2:[#7,#6,#16]:1 Row: 700 Displacement of [125I]IABN from human D2LR expressed in HEK293 cell membranes by gamma counting method * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 28 [#8]=[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:1)-[#6]1:[#6,#7,#16]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:2:[#7,#6,#16]:1 Row: 701 Displacement of [35S]MK499 from human ERG expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 22 [#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1)-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 702 Antagonist activity against human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced channel activation by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 29 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#7,#6])-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 703 Inhibition of catalytic domain of human recombinant CA IX * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 704 Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD2 after 1 hr by fluorescence anisotropy assay * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 21 [#8]=[#16](=[#8])(-[#7]-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=[#7]-[#6]1:[#6,#7]:[#6]:[#6](:[#6](:[#6,#7]:1)-[#8,#6,#17,#35])-[#8,#7] Row: 705 Inhibition of human recombinant cytosolic isozyme CA II by stopped-flow CO2 hydrase method * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 706 Inhibition of human recombinant cytosolic isozyme CA I by stopped-flow CO2 hydrase method * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 707 Inhibition of full length human recombinant CA VI * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 708 Inhibition of Plasmodium falciparum plasmepsin-2 * postgresql://localhost/chembl_23 Mean nAts 46.4, mcs nAts: 43 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#8])-[#6](=[#8])-[#7]1-[#6]-[#16]-[#6](-[#6]-1-[#6](=[#8])-[#7]-[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#8])(-[#6])-[#6] Row: 709 Inhibition of human carbonic anhydrase-1 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 6.2, mcs nAts: 0 Row: 710 Displacement of [3H]CP-55940 from human cloned CB1 receptor by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 17 [#6,#35]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#6,#7] Row: 711 Inhibition of human intestinal carboxylesterase * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 712 Inhibition of human carboxylesterase 1 * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 713 Inhibition of human AChE * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 714 Inhibition of human BChE * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 715 Inhibition of human beta tryptase * postgresql://localhost/chembl_23 Mean nAts 42.1, mcs nAts: 27 [#8,#6]-,=[#6](=,-[#8,#6])-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=[#8])-[#6]1:[#7]:[#8]:[#6](:[#7]:1)-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#8]-[#7,#6,#8]-[#6] Row: 716 Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#7]2:[#6](:,-[#7,#6]:,=1):[#7]:[#6]1:[#6]:2:[#6](=[#8]):[#7](-[#6]):[#6](:[#7]:1-[#6])=[#8] Row: 717 Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#7]2:[#6](:,-[#7,#6]:,=1):[#7]:[#6]1:[#6]:2:[#6](=[#8]):[#7](-[#6]):[#6](:[#7]:1-[#6])=[#8] Row: 718 Displacement of fluorescein-labeled MS574 from recombinant human BRD4 BrD1 after 1 hr by fluorescence anisotropy assay * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 25 [#8]=[#16](=[#8])(-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=[#7]-[#6]1:[#6,#7]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#8,#7] Row: 719 Displacement of [3H]MRE3008F20 from human cloned adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 17 [#6]-[#6]1:,-[#6]:,-[#7]2:[#6](:,-[#7,#6]:,=1):[#7]:[#6]1:[#6]:2:[#6](=[#8]):[#7](-[#6]):[#6](:[#7]:1-[#6])=[#8] Row: 720 Inhibition of recombinant JAK1 (unknown origin) using Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 mins in presence of ATP * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 18 [#6]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6]1:[#6]:2:[#7](:[#6]:[#7]:1)-[#6]1-[#6]-[#6]-[#7,#6,#8]-[#6,#7,#8]-[#6]-1 Row: 721 Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells by SPA * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 17 [#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7](-[#6]1-[#6]-[#6]-[#7]-[#6]-1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6,#7] Row: 722 Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells by SPA * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 17 [#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7](-[#6]1-[#6]-[#6]-[#7]-[#6]-1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6,#7] Row: 723 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells by SPA * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 17 [#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7](-[#6]1-[#6]-[#6]-[#7]-[#6]-1)-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6,#7] Row: 724 Displacement of [3H]N-methylspiperone from human recombinant dopamine D2 receptor expressed in CHOK1 cells incubated for 60 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 36.6, mcs nAts: 16 [#6]1:[#6]:[#7](-[#6,#16]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 725 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 6.6, mcs nAts: 0 Row: 726 Inhibition of C1S * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 14 [#6]-[#16]-[#6]1:[#16]:[#6](-[#6](=[#7])-[#7]):[#6]:[#6]:1-[#16](=,-[#8,#6])(=[#8])-,=[#6,#8] Row: 727 Displacement of [3H]N-alpha-methylhistamine from guinea pig histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 15 [#6](-[#7,#6]-[#6,#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]:[#6,#7]:[#7,#6]:1 Row: 728 Displacement of [I125]hU2 from human recombinant urotensin 2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.6, mcs nAts: 10 [#6,#7,#8]-,=[#6,#7]-[#8,#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#8,#16,#17] Row: 729 Displacement of human [125I]IL-8 from human CXCR2 * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 22 [#6]-[#6]-[#6](-[#7]-[#6]1:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#8])-[#6](=,-[#8,#7])-,=[#8,#7]):[#6](:[#6]:1=[#8])=[#8])-[#6] Row: 730 Displacement of GS-red from human glucocorticoid receptor by fluorescent polarization assay * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 24 [#6,#8]-[#6](-[#8,#6])-[#6]1-[#6]-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#7,#6]1:[#6]:[#7]:[#6,#7](:[#6]:1-[#6]=2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6] Row: 731 Inhibition of human wild-type beta-catenin (residues 138-686)/C-terminally fluorescein labeled human wild-type Tcf4 (residues 7-51) interaction after 1.5 hrs by FP competitive inhibition assay * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 6 [#7,#6]1:[#7,#6]:[#6]:[#7,#6]:[#6]-,:[#6]:1 Row: 732 Binding affinity to human muscarinic M3 receptor * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 15 [#6,#8]-[#6](-[#6]#[#6]-[#6]1(-[#8]-[#6])-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2)-[#6,#8] Row: 733 Displacement of [125I]AB-MECA from Adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 34 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7](:[#6]:3)-[#6]-[#6]3:[#6,#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#8,#7]:[#7,#8]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 734 Displacement of [3H]ZM-241385 from Adenosine A2A receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 34 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7](:[#6]:3)-[#6]-[#6]3:[#6,#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#8,#7]:[#7,#8]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 735 Displacement of [3H]RX821002 from alpha2-adrenergic receptor in prefrontal cortex of human brain after 30 mins by liquid scintillation spectrometric analysis * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 8 [#6]-,=[#8,#7]-[#6]1:,-[#6]:,-[#6,#8]:,-[#6]:[#6]:,-[#6,#8]:,-1 Row: 736 Binding affinity to human ERG * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 23 [#8]=[#6](-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]-1(-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#9])-[#7](-[#6]-[#6])-[#6]1-[#6]-[#6]-1 Row: 737 Displacement of [3H]testosterone from wild type human androgen receptor * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 12 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#7,#6]:,-[#6]:,-1 Row: 738 Displacement of [3H]CPX from Adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 34 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7](:[#6]:3)-[#6]-[#6]3:[#6,#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#8,#7]:[#7,#8]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 739 Displacement of [3H]ZM-241385 from Adenosine A2B receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 34 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#7]:[#7](:[#6]:3)-[#6]-[#6]3:[#6,#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#8,#7]:[#7,#8]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 740 Inhibitory activity against human recombinant mitochondrial isozyme CA VB * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 741 Inhibitory activity against human recombinant mitochondrial isozyme CA VA * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 742 Inhibitory activity against human recombinant cytosolic CA2 * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 743 Displacement of [3H]SCH23390 from dopamine D1 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 21 [#6]-[#8]-[#6]1:[#6]:,-[#6]-,:[#6,#7]-[#6]-[#7,#6]-[#6]-,:[#6](:,-[#6]-[#6]-[#6,#7]-,:[#6]:,-[#6]:[#6]:1-[#8]):[#6]:[#6]:[#6]:[#6] Row: 744 Displacement of [3H]spiperone from dopamine D2 receptor (unknown origin) expressed in human HEK293 cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 21 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6]-[#6]-[#6,#7]:,-[#6]:,-[#6]:[#6](:[#6](:[#6])-[#8])-[#8]-[#6])-[#6]-[#7,#6]-[#6,#7]-,:[#6] Row: 745 Displacement of [3H]8-OH-DPAT from 5-HT1A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 21 [#6]-[#8]-[#6]1:[#6]:,-[#6]-,:[#6,#7]-[#6]-[#7,#6]-[#6]-,:[#6](:,-[#6]-[#6]-[#6,#7]-,:[#6]:,-[#6]:[#6]:1-[#8]):[#6]:[#6]:[#6]:[#6] Row: 746 Displacement of [125I]SS-14 from human SSTR3 expressed in CHO cells after 60 to 90 mins * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 16 [#6]-[#6]-[#7]-[#6]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6,#9]):[#6]:[#7]:1 Row: 747 Inhibitory activity against Carbonic anhydrase IV isolated from bovine lung * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 13 [#6,#8]-,=[#6,#16](=[#8])-[#7]-,=[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 748 Displacement of [3H]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6,#7](-[#35,#6,#9,#17]):[#6,#7]:[#7,#6]:[#7,#6]:1-[#6,#35])-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 749 Inhibitory constant against thrombin * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#7]-[#6]1:[#7]:[#6,#7]2:[#6](-[#7]-[#6]-[#6]-[#6]3-,:[#6,#7]-,:[#6]-,:[#6]-,:[#6]-,:[#7,#6]-,:3):[#7,#6]:[#6]:[#6,#7]:[#6]:2:[#8,#7]:1 Row: 750 Displacement of [3H]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6,#7](-[#35,#6,#9,#17]):[#6,#7]:[#7,#6]:[#7,#6]:1-[#6,#35])-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 751 Displacement of [3H]neurotensin from human NTS1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 58.4, mcs nAts: 30 [#6](-[#7,#6]-[#6](=[#8,#6])-[#6,#7]-[#7,#6]-[#6](=[#8])-[#6,#7]1-[#6]-[#6]-[#6]-[#7,#6]-1-[#6](=[#8])-[#6,#7]-[#7,#6]-[#6,#7]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-,=[#6,#7])-[#6]-[#7,#6]-[#6,#7]-[#6](=,-[#8,#6,#7])-[#8,#6,#7] Row: 752 Binding affinity to human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 22 [#7,#6,#8]-,=[#6,#16]-[#6]1-[#6]-[#6]-[#6](-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 753 Inhibition of human F10a using CH3SO2-D-CHG-Gly-Arg-AFC.AcOH as substrate by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 38.0, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#7,#6](:[#6]:1):[#7,#6]:[#6]1:[#6,#7]:2-[#6]-[#6](-[#6]-[#6]-1)(-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#7]1:[#6]:[#7]:[#6,#7]:[#7,#6]:1 Row: 754 Displacement of [125I]Tyr-o-CRF from human CRFR1 expressed in human IMR32 cells * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 22 [#7,#8,#9]-,=[#6](=,-[#8,#7,#9])-[#6]1:[#6](-[#6]):[#7]:[#6](:[#7]:1)-[#7](-[#6]-[#6]-[#6])-[#6]1:[#6](-[#6]):[#6]:[#6](:[#6]:[#6]:1-[#6])-[#6] Row: 755 Binding affinity towards the human MCH-R1 receptor by displacing [125I]Tyr13]-MCH radioligand in HEK293 cells, Data is average of 3 or more independent measurements * postgresql://localhost/chembl_23 Mean nAts 32.6, mcs nAts: 30 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#7](-[#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#7](-[#6])-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#16]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 756 Inhibition of recombinant human furin expressed in CHO cells using pyroGlu- Arg-Thr-Lys-Arg-AMC as the substrate after 30 mins * postgresql://localhost/chembl_23 Mean nAts 48.8, mcs nAts: 39 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#7])-[#7] Row: 757 BindingDB_Patents: Radioligand Binding Assay. The inhibition constant (ki) is determined using a radioligand assay. * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 19 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6](-[#8]-[#6]2:[#6]:[#6](-[#6]#[#7]):[#6]:[#6]:[#7]:2)-[#6]-[#6]-[#6]-1-[#6] Row: 758 Displacement of 7-methoxy-[3H]-prazosin from human alpha1D adrenergic receptor expressed in CHO-K1 cell membranes incubated for 60 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 19.9, mcs nAts: 13 [#6]-[#6]-[#7]1:[#6]:[#6](-[#17,#35]):[#6]:[#6](:[#6]:1=[#7,#8])-[#6](-[#7])=[#8] Row: 759 Displacement of [125I]cyanopindolol from human adrenergic beta-1 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6]-1 Row: 760 Displacement of [125I]cyanopindolol from human adrenergic beta2 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6]-1 Row: 761 Displacement of [125I]cyanopindolol from human adrenergic beta3 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6]-1 Row: 762 BindingDB_Patents: Inhibition Assay. Fluorometric Assays: All measurements were performed with a BioAssay Reader HTS-7000Plus for microplates (Perkin Elmer) at 30 C. QC activity was evaluated fluorometrically using H-Gln-beta NA. The samples consisted of 0.2 mM fluorogenic substrate, 0.25 U pyroglutamyl aminopeptidase (Unizyme, Horsholm, Denmark) in 0.2 M Tris/HCl, pH 8.0 containing 20 mM EDTA and an appropriately diluted aliquot of QC in a final volume of 250 ul. Excitation/emission wavelengths were 320/410 nm. The assay reactions were initiated by addition of glutaminyl cyclase. QC activity was determined from a standard curve of beta -naphthylamine under assay conditions. One unit is defined as the amount of QC catalyzing the formation of 1 umol pGlu-beta NA from H-Gln-beta NA per minute under the described conditions.In a second fluorometric assay, QC was activity determined using H-Gln-AMC as substrate. Reactions were carried out at 30 C. utilizing the NOVOStar reader for microplates (BMG labtechnology). * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 16 [#6,#7]1:[#6]:[#7](-[#6]-[#6]-[#6]-[#7]2:[#6](=[#16,#8]):[#7,#6]:[#6]:[#6,#7]:[#6]:2=[#8,#16]):[#6]:[#7,#6]:1 Row: 763 Displacement of [3H]methylspiperone from human cloned 5HT2A receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 11 [#6,#7,#8]-,=[#6]-[#7,#6]1:,-[#6]:,-[#6,#7]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2 Row: 764 Displacement of [3H]mesulergine from human cloned 5HT2C receptor expressed in HEK293 cells after 90 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 11 [#6,#7,#8]-,=[#6]-[#7,#6]1:,-[#6]:,-[#6,#7]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2 Row: 765 Displacement of [N-methyl-3H]WIN-35428 from human recombinant DAT expressed in pig LLCPK cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 18.4, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]12-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-1-[#6]-2 Row: 766 Displacement of [N-methyl-3H]nisoxetine from human recombinant NET expressed in pig LLCPK cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 18.4, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]12-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-1-[#6]-2 Row: 767 Displacement of [N-methyl-3H]citalopram from human recombinant SERT expressed in pig LLCPK cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 18.4, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]12-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-1-[#6]-2 Row: 768 Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 15 [#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1)-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6] Row: 769 Displacement of [3H]CP55,940 from human CB1 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 19 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#8,#6]):[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 770 Displacement of [3H]NT from human NTS2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 58.4, mcs nAts: 30 [#6](-[#7,#6]-[#6](=[#8,#6])-[#6,#7]-[#7,#6]-[#6](=[#8])-[#6,#7]1-[#6]-[#6]-[#6]-[#7,#6]-1-[#6](=[#8])-[#6,#7]-[#7,#6]-[#6,#7]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-,=[#6,#7])-[#6]-[#7,#6]-[#6,#7]-[#6](=,-[#8,#6,#7])-[#8,#6,#7] Row: 771 BindingDB_Patents: Radioligand Binding Assay. Radioligand dose displacement assays used 0.4-0.8 nM [3H]-U69,593 (NEN; 40 Ci/mmole) with 10-20 µg membrane protein (recombinant kappa opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 µL binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 µM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 200 µL ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty µL/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well. * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 17 [#7,#6]=,-[#6]1:,-[#7]:,-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:,-[#7]:,-1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 772 Displacement of [3H]CP55,940 from human CB2 receptor expressed in CHO cells after 2 hrs by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 19 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#8,#6]):[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 773 Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in CHO cells after 60 mins by gamma counter * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 7 [#8,#6,#7]-,=[#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 774 BindingDB_Patents: Radioligand Binding Assay. The inhibition constant (ki) is determined using a radioligand assay. * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 19 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6](-[#8]-[#6]2:[#6]:[#6](-[#6]#[#7]):[#6]:[#6]:[#7]:2)-[#6]-[#6]-[#6]-1-[#6] Row: 775 Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6](-[#8]-[#6]-[#6]):[#7]:[#8,#7]:3):[#7,#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 776 Displacement of [3H][desArg9]Lys-Bradykinin from human bradykinin B1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 56.6, mcs nAts: 40 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#6](:[#6]:[#6]:[#6]:2)-[#8]-[#6]-[#6]1:[#6](-[#17]):[#6]:[#6]:[#6](:[#6]:1-[#17])-[#16](=[#8])(=[#8])-[#7]-[#6]1(-[#6](=[#8])-[#7]2-[#6]-[#6]-[#7,#6]-[#6]-[#6]-2)-[#6]-[#6]-[#8]-[#6]-[#6]-1 Row: 777 Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 56.6, mcs nAts: 40 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#6](:[#6]:[#6]:[#6]:2)-[#8]-[#6]-[#6]1:[#6](-[#17]):[#6]:[#6]:[#6](:[#6]:1-[#17])-[#16](=[#8])(=[#8])-[#7]-[#6]1(-[#6](=[#8])-[#7]2-[#6]-[#6]-[#7,#6]-[#6]-[#6]-2)-[#6]-[#6]-[#8]-[#6]-[#6]-1 Row: 778 Inhibition of human CA1 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 10.2, mcs nAts: 0 Row: 779 Displacement of [33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 22 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6](-[#9])(-[#9])-[#9])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1-[#6,#7,#8] Row: 780 Inhibition of human CA2 incubated for 15 mins prior to testing by stopped flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 10.2, mcs nAts: 0 Row: 781 Ki value against human carbonic anhydrase XII (hCA XII) * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 782 Ki value against human carbonic anhydrase II (hCA II) * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 783 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 4.9, mcs nAts: 0 Row: 784 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 4.9, mcs nAts: 0 Row: 785 In vitro inhibitory activity against bovine cationic trypsin * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 24 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#7]:[#6](:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#7])-[#7])-[#6] Row: 786 Displacement of [3H]SCH58261 from human adenosine A2A receptor transfected in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 21 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6](:[#6](:[#7]:2)=[#8])-[#16,#6])-[#6]-[#6,#8]-[#6] Row: 787 Displacement of [3H]ZM241385 from human adenosine A2B receptor transfected in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 21 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6](:[#6](:[#7]:2)=[#8])-[#16,#6])-[#6]-[#6,#8]-[#6] Row: 788 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 19 [#7]-[#6]1:[#7,#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6,#7]:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 789 Inhibition of Trypanosoma cruzi cruzain * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 22 [#6,#8]-,=[#6](-[#6,#7,#8])-[#6,#7]-[#6](-[#7,#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#6]-[#16,#8] Row: 790 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-K1 cells after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 21 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6](:[#6](:[#7]:2)=[#8])-[#16,#6])-[#6]-[#6,#8]-[#6] Row: 791 Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 28 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])(-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#6]-3)-[#8] Row: 792 Inhibition of dopamine uptake at VMAT in bovine chromaffin granule ghosts * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 12 [#7,#6]1:,-,=[#6,#7]:,-[#6]:,-,=[#6,#7](:,-[#6,#7]:,-[#6]:,-1)-[#6]1:,-,=[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 793 Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain without cerebellum * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 28 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])(-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#6]-3)-[#8] Row: 794 Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 15 mins * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 9 [#8]=[#6]1-[#6]-[#7,#16]-[#6](-[#7]-1-[#6]-[#6])=[#8] Row: 795 Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain without cerebellum * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 28 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])(-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#6]-3)-[#8] Row: 796 Displacement of [3H]ZM241385 from human recombinant adenosine A2A receptor expressed in CHO cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6](-[#8]-[#6]-[#6]):[#7]:[#8,#7]:3):[#7,#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 797 Displacement of [3H]MRE2029-F20 from human recombinant adenosine A2B receptor expressed in HEK293 cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6](-[#8]-[#6]-[#6]):[#7]:[#8,#7]:3):[#7,#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 798 Displacement of [3H]MRE3008-F20 from human recombinant adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6](-[#8]-[#6]-[#6]):[#7]:[#8,#7]:3):[#7,#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 799 Inhibition of bovine brain mitochondria MAOB by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 8 [#6]-[#7]-[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#7,#6]:1 Row: 800 Inhibition of bovine brain mitochondria MAOA by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 8 [#6]-[#7]-[#6]-[#6]1:[#6,#7]:[#6]:[#6]:[#7,#6]:1 Row: 801 Binding affinity to human bradykinin B1 receptor * postgresql://localhost/chembl_23 Mean nAts 50.1, mcs nAts: 40 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#6](:[#6]:[#6]:[#6]:2)-[#8]-[#6]-[#6]1:[#6](-[#17]):[#6]:[#6]:[#6](:[#6]:1-[#17])-[#16](=[#8])(=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8,#7])-[#6,#7]-[#7,#6]-[#6,#7] Row: 802 Displacement of [3H]BK from human bradykinin B2 receptor transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 50.1, mcs nAts: 40 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#6](:[#6]:[#6]:[#6]:2)-[#8]-[#6]-[#6]1:[#6](-[#17]):[#6]:[#6]:[#6](:[#6]:1-[#17])-[#16](=[#8])(=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8,#7])-[#6,#7]-[#7,#6]-[#6,#7] Row: 803 Inhibition of human recombinant PDE10A assessed as inhibition of [3H]cAMP hydrolysis by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 18 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6]1:[#6](-[#6]):[#7]:[#6]:[#7]:1-[#6]-[#6]-2 Row: 804 Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 15 [#7,#6]1-[#6,#7]-[#6]-[#6](-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 805 Displacement of [3H]histamine from human H4 receptor expressed in HEK cell membranes * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 7 [#6,#7,#8]-[#7,#6]1-,:[#6,#7]-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6,#7]-,:1 Row: 806 Ki value against human carbonic anhydrase I (hCA I) * postgresql://localhost/chembl_23 Mean nAts 15.3, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 807 Inhibition of full length human recombinant MMP13 using MCA-Arg-Pro-Leu-Gly-Leu-Dpa-Ala-Arg-Glu-Arg-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 30 [#8,#6,#9,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#7](:[#7]:2)-[#6]-[#6]2-[#6]-[#6,#8]-[#6,#7]-[#6,#8]-[#8,#6]-2):[#6,#7]:[#6](:[#7]:1)-[#6] Row: 808 Binding affinity for recombinant human CRF1 receptor * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 25 [#6,#8]-[#6]-[#6]-[#7](-[#6]-[#6])-[#6]1:[#6]:[#6](-[#6]):[#7]:[#6]2:[#7,#6]:1:[#7,#6]:[#6](:[#6,#7]:2-[#6]1:[#7,#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6,#7,#8])-[#17,#6,#7,#8,#9,#53])-[#6] Row: 809 Inhibitory constant against human purified Coagulation factor Xa (fXa) * postgresql://localhost/chembl_23 Mean nAts 41.2, mcs nAts: 23 [#6,#7,#8]-,=[#7,#6]-[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,=[#6]:,-[#7,#8,#16]:,-[#6]2:[#6]:,-1:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#7])-[#7] Row: 810 Inhibitory constant against human purified Coagulation factor IXa (fIXa) * postgresql://localhost/chembl_23 Mean nAts 41.2, mcs nAts: 23 [#6,#7,#8]-,=[#7,#6]-[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,=[#6]:,-[#7,#8,#16]:,-[#6]2:[#6]:,-1:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#7])-[#7] Row: 811 In vitro displacement of CP-55940 binding to human CB1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 24 [#6,#7,#8]-[#7,#8]-[#6](=[#8])-[#6]1:[#7,#6,#16]:[#6,#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#17]):[#7,#6](:[#6,#7,#16]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#17,#6,#8,#9,#35] Row: 812 BindingDB_Patents: Radioligand Binding Assay. The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 9 [#6,#7]1:,-[#6]:,-[#6]2:[#6](:[#6]:,-[#7,#6]:,-1):[#7,#6]:[#7,#6]:[#6,#7]:2 Row: 813 Inhibitory effect on bovine Carbonic anhydrase IV * postgresql://localhost/chembl_23 Mean nAts 21.3, mcs nAts: 5 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6,#8]-,=[#6,#8] Row: 814 Inhibition of Bcl-2 (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]1-[#16]-[#6](=[#16])-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 815 In vitro inhibitory constant against [3H]spiperone binding to human dopamine D2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 20 [#6]1:[#6]:[#6]2:[#6](:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6])-[#8,#6]-[#6]-[#6]-[#8,#7]-2 Row: 816 In vitro inhibitory constant against [3H]paroxetine binding to rat frontal cortex membrane serotonin reuptake site * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 20 [#6]1:[#6]:[#6]2:[#6](:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6])-[#8,#6]-[#6]-[#6]-[#8,#7]-2 Row: 817 Inhibitory activity against Hepatitis C virus NS3 serine protease in continuous spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 47.0, mcs nAts: 22 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6])-[#6](=[#8])-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](-,=[#7,#6,#8])=,-[#8,#6] Row: 818 Binding affinity to human ER-beta ligand binding domain after 2 hrs by competitive fluorometric binding assay * postgresql://localhost/chembl_23 Mean nAts 43.6, mcs nAts: 31 [#8]=[#16](=[#8])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]2-[#8]-[#6]-1-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#7])=[#6]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8] Row: 819 Ability to inhibit [3H]DA uptake through DAT in rat synaptosomes * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6]-[#16]-[#6]-[#6]-,=[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 820 Ability to inhibit [3H]5-HT uptake through SERT in rat synaptosomes * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6]-[#16]-[#6]-[#6]-,=[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 821 Ability to inhibit [3H]NE uptake through NET in rat synaptosomes * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6]-[#16]-[#6]-[#6]-,=[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 822 Binding affinity to human ER-alpha ligand binding domain after 2 hrs by competitive fluorometric binding assay * postgresql://localhost/chembl_23 Mean nAts 43.6, mcs nAts: 31 [#8]=[#16](=[#8])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]2-[#8]-[#6]-1-[#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#7])=[#6]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8] Row: 823 Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.5, mcs nAts: 38 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1(-[#6]-[#7]-[#6](=[#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 824 Displacement of [3H]-N-methylspiperone from human dopamine D4 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 28 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 825 Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 28 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 826 Binding affinity to human muscarinic M2 receptor * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 15 [#6,#8]-[#6](-[#6]#[#6]-[#6]1(-[#8]-[#6])-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2)-[#6,#8] Row: 827 Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor expressed in HEK293 cell membranes after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 28 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 828 Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]-LTD4 (0.2 nM) * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6]-,=[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 829 Displacement of [125I]I-AB-MECA from human recombinant A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 26 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#6]#[#6]-[#6])-[#6](-[#6]-2-[#8])-[#8] Row: 830 Displacement of 2-[125I]iodomelatonin from human recombinant MT1 receptor expressed in NIH3T3 cells * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6]-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 831 Displacement of 2-[125I]iodomelatonin from human recombinant MT2 receptor expressed in NIH3T3 cells * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6]-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 832 Binding affinity to human histamine H3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 833 Displacement of [3H]Mesulergine from human 5-HT2C-INI receptor expressed in HEK293 cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 834 Displacement of [3H]Mesulergine from human 5-HT2B receptor expressed in HEK293 cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 835 Displacement of [3H]Ketanserin from human 5-HT2A receptor expressed in HEK293 cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 836 Binding affinity to MCHR1 by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 37.0, mcs nAts: 18 [#6,#8]-,=[#6](=,-[#8,#6])-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#7] Row: 837 Inhibition of DLK (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 19 [#6]1:,-[#7,#6]:,-[#6,#7](-[#7,#6]-[#6]2:[#6,#7]:[#6]:[#6]:[#6]:[#7,#6]:2):,-[#6,#7]:,-[#6](:,-[#7,#6]:,-1)-[#6,#7]1-,:[#6]-,:[#6]-,:[#6,#7,#8]-,:[#7,#6]-,:[#6,#7]-,:1 Row: 838 Displacement of [3H]CP-55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-,=[#6,#7,#8,#9] Row: 839 Displacement of [3H]CP-55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-,=[#6,#7,#8,#9] Row: 840 Inhibition of ERK2 by spectrophotometric coupled-enzyme assay * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 20 [#6,#8]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#6]:[#6]:2-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 841 Inhibition of JNK3 at 10 nM by spectrophotometric coupled-enzyme assay * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 20 [#6,#8]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#6]:[#6]:2-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 842 In vitro binding affinity for histamine H3 receptor was determined in guinea-pig cerebral cortex using [3H](R)-alpha-methylhistamine * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 12 [#6,#7,#16](-[#6,#7,#16]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-,=[#7,#6,#16]-[#6,#7]-[#6,#7]-[#6,#7] Row: 843 Displacement of [3H]8-OH-DPAT from 5HT1AR (unknown origin) by competition binding assay * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 16 [#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 844 Binding affinity to human cloned adrenergic alpha-1a receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 30 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 845 Binding affinity to human cloned adrenergic alpha-1b receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 30 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 846 Binding affinity to human cloned adrenergic alpha-1d receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 30 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 847 Inhibition of human NE * postgresql://localhost/chembl_23 Mean nAts 17.7, mcs nAts: 9 [#8,#6,#7]=,-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-,=[#7,#6,#8] Row: 848 Displacement of [125I]motilin from human motilin receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 41.7, mcs nAts: 37 [#6]-[#6](-[#6])-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6]-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-,=[#6]-[#6]-[#7]-[#6](-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#7,#6])=[#8] Row: 849 Inhibition of human DAT expressed in COS1 cells * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 7 [#6]-[#6]1:,=[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 850 Binding affinity to human SERT * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 12 [#7,#6]-[#6,#8]-,#[#6]-[#6]-,#[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#8,#9] Row: 851 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 21 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#7]:1:[#7]:[#6](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 852 Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 21 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#7]:1:[#7]:[#6](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 853 Displacement of [3H]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 21 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#7]:1:[#7]:[#6](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 854 Displacement of [3H]spiperone from human D2 receptor transfected in HEK cells * postgresql://localhost/chembl_23 Mean nAts 132.7, mcs nAts: 11 [#6,#8]-,=[#6]-[#7,#6]1-[#6]-[#6]-[#6]-[#6,#7]-1-[#6]-[#7,#6]-[#6]=,-[#8,#6] Row: 855 Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in Dunkin Hartley guinea pig membrane after 180 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 15 [#8,#6]=,-[#6,#7]1-[#6]-[#6]-[#6]:,-[#6](-,:[#7,#6]-1):[#6]:[#6](:[#6]:[#6])-[#8]-[#6]-[#6]-[#6,#7] Row: 856 Displacement of [3H]ezetimibe-glucuronide from NPC1L1 in Sprague-Dawley rat brush border membrane * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 27 [#8]=[#6]1-[#8]-[#6](-[#6]-[#6,#7]-[#6,#7,#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#7]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 857 Displacement of [3H]nociceptin from human NOP receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.4, mcs nAts: 34 [#6,#7]-[#6]-[#7]1:[#6](=[#8]):[#7](-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6](-[#8]-[#6]2:[#6]:[#6](-[#8]-[#6]):[#6]:[#6]:[#6]:2-[#6])-[#6](-[#6])-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 858 Displacement of [3H]nisoxetine from human norepinephrine transporter expressed in MDCK-Net6 cells * postgresql://localhost/chembl_23 Mean nAts 24.3, mcs nAts: 16 [#7]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1(-[#8])-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 859 Displacement of [3H]DPCPX from human cloned adenosine A2B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 860 Displacement of [3H]DPCPX from human cloned adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 861 Displacement of [3H]-8-OH-DPAT from 5-HT1A receptor in Sprague-Dawley rat cerebral cortex after 15 mins * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 19 [#8]=[#6]1-[#6]2-[#6]-[#6]-[#6]-[#7]-2-[#6](-[#7]-1-[#6]-[#6]-[#6]-[#6]-[#7]-[#6]-[#6]-[#8,#6]-[#6])=[#8] Row: 862 Inhibition of JAK2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 12 [#6]-[#7]-[#6]1:[#7]:[#6,#7]2:[#6]:[#6]:[#6]:[#6](:[#7,#6]:2:[#7]:1)-[#6] Row: 863 Displacement of [3H](+)pentazocine from sigma1 receptor in Dunkin Hartley guinea pig brain membrane after 120 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#16]-[#7,#6]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6,#16]-,=[#6,#8] Row: 864 Displacement of [125I]hCGRP from human cloned CGRP receptor expressed in HEK93 cells * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 30 [#6]-[#7]1-[#6](=[#8])-[#7]-[#6](-[#6]-12-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]-2)-[#7]-[#6](=[#8])-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)=[#8] Row: 865 Inhibition of human recombinant 11beta-HSD1 expressed in Escherichia coli using [3H]cortisone by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 17 [#6]-[#6](-[#7]-[#6]1=[#7]-[#6](=[#8])-[#6](-[#16]-1)(-[#6])-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 866 Displacement of [3H]ketanserin from 5HT2A receptor in rat cortical membrane * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 867 Displacement of [3H]rimonabant from human CB1 receptor expressed in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 8 [#6,#7,#8]-,=[#16,#6,#7,#8]-[#6,#7]1:,-[#7,#6]:,-[#7,#6]:,-,=[#6,#7]:,-[#6]:,-[#7,#6]:,-1 Row: 868 Displacement of [3H]rimonabant from human CB2 receptor expressed in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 8 [#6,#7,#8]-,=[#16,#6,#7,#8]-[#6,#7]1:,-[#7,#6]:,-[#7,#6]:,-,=[#6,#7]:,-[#6]:,-[#7,#6]:,-1 Row: 869 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 14 [#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 870 Displacement of [125I]RTI-55 from human NET expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 14 [#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 871 Displacement of [125I]RTI-55 from human DAT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 14 [#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 872 Displacement of [125I]RTI-55 from human SERT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 14 [#6,#8]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 873 Inhibition of HIV1 protease expressed in Escherichia coli by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 47.6, mcs nAts: 22 [#6,#8]-,=[#6]-[#6,#7]-[#7,#6](-[#6,#7]-[#6](-,=[#8])-[#6](-[#6]-[#6])-[#7]-[#6](=[#8])-[#8,#6]-[#6,#8])-[#16,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:1 Row: 874 Binding affinity to human DRD3 receptor by GTPgammaS binding assay * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 15 [#7,#6]-[#6]-[#6,#16]-[#7,#6]1-,:[#6,#7]-,:[#6,#7]-,:[#7,#6](-,:[#6,#7]-,:1=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 875 Binding affinity to human DRD2 receptor by GTPgammaS binding assay * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 15 [#7,#6]-[#6]-[#6,#16]-[#7,#6]1-,:[#6,#7]-,:[#6,#7]-,:[#7,#6](-,:[#6,#7]-,:1=,-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 876 Displacement of [3H]histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai2 and Gbeta1gamma2 * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 13 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#7]:[#6]:[#7,#6]:1 Row: 877 Inhibition of human DPP4 * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 21 [#6,#7]-[#6]1:[#6,#7]:[#6]2:[#7]:[#6](-[#6]):[#6](:[#6](:[#7]:2:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6]-[#7] Row: 878 Inhibition of human DPP8 * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 21 [#6,#7]-[#6]1:[#6,#7]:[#6]2:[#7]:[#6](-[#6]):[#6](:[#6](:[#7]:2:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6]-[#7] Row: 879 Inhibition of human DPP89 * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 21 [#6,#7]-[#6]1:[#6,#7]:[#6]2:[#7]:[#6](-[#6]):[#6](:[#6](:[#7]:2:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6]-[#7] Row: 880 Displacement of [3H]oxytocin from human oxytocin receptor * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 30 [#6]-[#6]-[#6]-[#6]1-[#6](=[#8])-[#7]-[#6](-[#6](-[#7]-1-[#6](-[#6](=[#8])-[#7])-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1)=[#8])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1 Row: 881 Inhibition of bovine thrombin using MeSO2-D-Cha-Gly-Arg-pNA as substrate * postgresql://localhost/chembl_23 Mean nAts 43.2, mcs nAts: 33 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-,=[#7,#6,#8] Row: 882 Displacement of [125I]NDP-MSH from HEK293 cells expressing human melanocortin-4 receptor * postgresql://localhost/chembl_23 Mean nAts 44.4, mcs nAts: 38 [#7,#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#7]-1 Row: 883 Displacement of radioligand [125I]AB-MECA binding at rat A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=,-[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6](=,-[#8,#7])-,=[#6,#7,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 884 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1)-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6] Row: 885 Displacement of [125I]CGRP from human recombinant CL receptor /RAMP1 * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 28 [#6]-[#7]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1=[#8])-[#7]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#7]:2 Row: 886 Inhibition of Mycobacterium tuberculosis recombinant TMPK * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 14 [#6]1:[#6]:[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](:[#7]:[#6]:1)=[#8] Row: 887 Displacement of [3H]DAMGO from human recombinant MOP receptor expressed in CHO-K1 cells after 45 mins by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 24 [#6]-[#7](-[#6])-[#6](=[#8])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7]-1-[#6](=[#8])-[#6]-[#6]-[#7]1-[#6]-[#6]-,:[#6,#7]:,-[#6]-[#6]-1 Row: 888 Displacement of [3H]-MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 19 [#6]-[#7]1:[#6,#7]:[#6](:[#7]:[#6](-[#7]):[#7]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#8]:3):[#7]:[#6]:2):[#6]:[#6,#7]:1 Row: 889 Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 19 [#6]-[#7]1:[#6,#7]:[#6](:[#7]:[#6](-[#7]):[#7]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#8]:3):[#7]:[#6]:2):[#6]:[#6,#7]:1 Row: 890 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 37.0, mcs nAts: 29 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]2:[#6]:1-[#6](=[#8])-[#7](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6])-[#6]-[#6]-2 Row: 891 Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 19 [#6]-[#7]1:[#6,#7]:[#6](:[#7]:[#6](-[#7]):[#7]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#8]:3):[#7]:[#6]:2):[#6]:[#6,#7]:1 Row: 892 Displacement of [3H]granisetron from 5HT3A receptor expressed in HEK293 cells after 24 hrs by scintillation counting in presence of quipazine * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 11 [#7]-[#6]1:[#6,#7]:[#6,#7]:[#6]2:[#6](:[#6,#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 893 BindingDB_Patents: Lanthascreen Binding Assay. his assay was used to determine a compound's potency in inhibiting activity of LRRK2 by determining, Kiapp, IC50, or percent inhibition values. In 384 well proxiplates F black, shallow well plates LRRK2, Eu-anti-GST-antibody, Alexa Fluor Kinase tracer 236 and test compound were incubated together. Binding of the Alexa Fluor tracer to a kinase was detected by addition of a Eu-labeled anti-GST antibody. Binding of the tracer and antibody to a kinase results in a high degree of FRET, whereas displacement of the tracer with a kinase inhibitor results in a loss of FRET. Assay conditions and materials used were as follows:Final Assay Conditions:GST-LRRK2 G2019S 10 nMEu-anti-GST-antibody 2 nMKinase tracer 236 8.5 nMKinase reaction time: 1 hourTemperature: ambientTotal volume: 15 ulDMSO 1%Materials:384 well proxiplates F black shallow well Perkin Elmer cat#6008260Kinase: LRRK2 G2019S Invitrogen cat #PV4882(LOT 567054A). * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 18 [#6]-[#7]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17,#8]):[#7]:[#6]:[#6]:1-[#6]-,#[#9,#7] Row: 894 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation counter * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 30 [#6,#7,#8]-,=[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6]2:[#7]:[#7](-[#6]):[#6]:[#6]:2:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 895 Inhibition of matriptase-2 (unknown origin) expressed in HEK293 cells using ln-Ala-Arg-a-Arg-para-nitroanilide as substrate by UV-vis spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 43.2, mcs nAts: 33 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-,=[#7,#6,#8] Row: 896 Binding affinity to human 11beta-HSD1 by SPA assay * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 8 [#6,#9]-[#6,#7]-[#6]1-,=[#8,#7]-[#6](-,=[#7,#8])=,-[#7,#6]-[#6,#8]-1 Row: 897 Displacement of [3H]CP-55940 from human CB1R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 11 [#6,#7]1:,-[#6]-,:[#8,#6,#7]-,:[#6,#7](-,=,:[#8,#6,#7]-,:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 898 Displacement of [3H]N-alpha-methylhistamine from human H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 10 [#7,#6]-[#6]-[#6]-[#6]-[#6,#7]-[#6,#7]1:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 899 Inhibition of [3H]R-PIA binding to Adenosine A1 receptor from rat brain membrane * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=,-[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6](=,-[#8,#7])-,=[#6,#7,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 900 Displacement of [3H]MRE-3008-F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation counter * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 30 [#6,#7,#8]-,=[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6]2:[#7]:[#7](-[#6]):[#6]:[#6]:2:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 901 Displacement of [3H]spiperone from dopamine D2 receptor in rat corpus striatum by beta plate scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 23 [#6]-[#7]1:[#6](-[#6]-[#7]2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:2 Row: 902 Competitive inhibition of human coagulation factor 11a assessed as reduction in release of p-nitroaniline after 10 to 120 mins by Michaelis-Menten equation analysis * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 24 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#7,#6]:[#6]:2):[#6,#7]:[#6,#7]:[#7,#6]:1 Row: 903 Displacement of [3H]8-OH-DPAT from human cloned 5-HT1A receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7,#6] Row: 904 Displacement of [3H]spiroperidol from human cloned dopaminergic D2 receptor expressed in rat C6 cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7,#6] Row: 905 Inhibition of human AChE using acetylthiocholine as substrate after 4 hrs by robotic spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 10 [#6,#7](-,=[#6,#7]=,-[#7,#6,#8])-[#7,#6]-[#6,#7]1-,:[#6]-,:[#6,#7]-,:[#7,#6]-,:[#6,#7]-,:[#6,#7]-,:1 Row: 906 Displacement of 125I-IP10 from recombinant human CXCR3 receptor expressed in Ba/F3 cell membrane after 1 to 4 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 29 [#6,#8]-,=[#7,#6]-[#6,#7]-[#6]1:[#6]:[#7,#6]:[#6](:[#6](:[#6]:1)-[#17])-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6,#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 907 Inhibition of MAO-B in rat liver homogenate after 60 mins by Lineweaver-Burke plot * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 13 [#6]-[#7]1:[#6](=,-[#16,#7]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:2 Row: 908 Inhibition of MAO-A in rat liver homogenate after 60 mins by Lineweaver-Burke plot * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 13 [#6]-[#7]1:[#6](=,-[#16,#7]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:2 Row: 909 Inhibition of Mycobacterium tuberculosis MbtA expressed in Escherichia coli assessed as ATP-[32P]Ppi exchange * postgresql://localhost/chembl_23 Mean nAts 49.2, mcs nAts: 38 [#7]-[#6]1:[#7]:[#6](-[#7]2:[#6]:[#6](-[#6]):[#7]:[#7]:2):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8]-[#16](=[#8])(=[#8])-[#7]-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 910 Displacement of [3H]histamine from human H4 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 10 [#7,#6]-[#6]-[#6]-[#6]-[#6,#7]-[#6,#7]1:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 911 Displacement of [125I]Ang 2 from AT1 receptor in rat liver membranes * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 30 [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#16]:[#6](-[#6]-[#6](-[#6])-[#6]):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]-[#6,#7](-,=[#7,#6,#8])=,-[#8,#6,#7,#16] Row: 912 Displacement of [3H]8-OH-DPAT from rat brain hippocampus 5-HT1A receptor by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 38 [#8]=[#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:[#6]:[#6]:[#6]:[#7]:2:[#6](:[#7]:1-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-,=[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#9,#17,#35])=[#8] Row: 913 Displacement of [3H]5-HT from 5HT2B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1)-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1=,-[#8,#6,#7] Row: 914 Displacement of [3H]CCPA from adenosine A1 receptor in pig cortical membrane * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 24 [#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2-[#6]-[#6]-[#8,#6]-[#6]-2)-[#6](-[#6]-1-[#8])-[#8,#6] Row: 915 Displacement of [3H]ketanserin from 5HT2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1)-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1=,-[#8,#6,#7] Row: 916 Displacement of [3H]mesulergine from 5HT2C receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1)-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1=,-[#8,#6,#7] Row: 917 Displacement of [3H]ZM241385 from adenosine A2B receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 25 [#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#7]2:[#6,#7]:[#6]:[#6]:[#7,#6]:2)-[#6](-[#6]-1-[#8])-[#8] Row: 918 Displacement of [3H]DPCPX from human A3 adenosine receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.4, mcs nAts: 15 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 919 Inhibition of human DPP8 * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 23 [#8,#6,#7]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7]2:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3-[#17])-[#17]):[#6](-[#6]-[#7]):[#6](:[#7]:[#6]:2:[#7]:1)-[#6] Row: 920 Binding affinity for dopamine D2 receptor * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 30 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 921 Displacement of [3H]Ketanserin from 5-HT2A receptor (unknown origin) expressed in HEK293 cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 21 [#6]-[#8]-[#6]1:[#6]:,-[#6]-,:[#6,#7]-[#6]-[#7,#6]-[#6]-,:[#6](:,-[#6]-[#6]-[#6,#7]-,:[#6]:,-[#6]:[#6]:1-[#8]):[#6]:[#6]:[#6]:[#6] Row: 922 Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells by Top Count analysis * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 14 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#6](-[#7,#8])=[#8]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 923 In vitro inhibition of bovine trypsin(Trp). * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 11 [#7]=,-[#6](-,=[#7,#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6] Row: 924 Displacement of [3H]WIN-35428 from DAT in Sprague-Dawley rat striatum * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 7 [#6]1:,-[#6]:,-[#6,#7]:,-[#6,#7](:,-[#6]:,-[#6,#7]:,-1)-[#6,#17] Row: 925 Displacement of [3H]oxytocin from human Oxytocin receptor * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 34 [#6]-[#6](-[#6])-[#6]-[#6]1-[#6](=[#8])-[#7]-[#6](-[#6](-[#7]-1-[#6](-[#6](=[#8])-[#7]-[#6](-[#6])-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1 Row: 926 Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells by Top Count analysis * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 14 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#6](-[#7,#8])=[#8]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 927 Displacement of [3H]SNAP from human MCH1 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 39.8, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 928 Displacement of [3H]DHT from human AR expressed in MDA-MB-453 cells * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 19 [#8]=[#6]1:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]2:[#6](:[#7]:1):[#6]:[#6]1:[#6](:[#6]:2)-[#7,#6]-[#6]-[#6]-[#8,#7]-1 Row: 929 Displacement of [3H]SCH-58261 from human recombinant adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 25 [#6]-[#7]-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6](:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8] Row: 930 Inhibition of [3H]D-888 binding to L-type [Ca2+] channel of membranes from rat skeletal muscle * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 24 [#6]=,-[#6]-[#6]-[#7]-[#6]1:[#7]:[#6](-[#7]2-[#6]-[#6]-[#6](-[#6]-[#6]-2)-[#7]-[#6]):[#6,#7]:[#6](:[#7,#6]:1):[#7](:[#6,#7]:[#7,#6])-[#6]-[#6]=,-[#6] Row: 931 Displacement of [3H](+)-pentazocine from sigma1 receptor guinea pig brain after 180 mins scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 14 [#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#7](-[#6]-[#6]-2-[#8])-[#6] Row: 932 Displacement of [3H]Diprenorphine from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 34 [#6,#7]-[#6]-[#7]1:[#6](=[#8]):[#7](-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6](-[#8]-[#6]2:[#6]:[#6](-[#8]-[#6]):[#6]:[#6]:[#6]:2-[#6])-[#6](-[#6])-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 933 Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 14 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#6](-[#7,#8])=[#8]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 934 Displacement of [3H]SR141716A from human CB1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 13 [#6](-[#6]1:,-[#6,#7]:[#6]:[#6]:,-[#6,#8]:,-[#6]:,-1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 935 inhibition of Candida albicans recombinant Nce103 after 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 23 [#7]-[#7]-[#6](=,-[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 936 Displacement of [3H]CP-55940 from human CB2 receptor expressed in COS cells * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 16 [#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8,#6])-[#7,#6]-[#6] Row: 937 BindingDB_Patents: Alphascreen Assays. A PI3K Alphascreen assay (PerkinElmer, Waltham, Mass.) was used to measure the activity of a panel of four phosphoinositide 3-kinases: PI3Ka, PI3Kß, PI3K¿, and PI3Kd. Enzyme reaction buffer was prepared using sterile water (Baxter, Deerfield, Ill.) and 50 mM Tris HCl pH 7, 14 mM MgCl2, 2 mM sodium cholate, and 100 mM NaCl. 2 mM DTT was added fresh the day of the experiment. The Alphascreen buffer was made using sterile water and 10 mM Tris HCl pH 7.5, 150 mM NaCl, 0.10% Tween 20, and 30 mM EDTA. 1 mM DTT was added fresh the day of the experiment. Compound source plates used for this assay were 384-well Greiner clear polypropylene plates containing test compounds at 5 mM and diluted 1:2 over 22 concentrations. * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 25 [#6](-[#7,#16]-[#6]1:[#7]:[#6]:[#7]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#7,#6]:2:[#6](:[#6]:1-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6,#7]:1)=,-[#8] Row: 938 Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in guinea pig brain * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 17 [#6,#8]-,=[#6,#7,#8,#16]-[#6,#7,#16]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 939 Displacement of [3H]DPCPX from human recombinant adenosine A1 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 25 [#6]-[#7]-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#6](:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8] Row: 940 Displacement of [3H](+)-Pentazocine from sigma 1 receptor in guinea pig brain membranes after 120 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 8 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6,#7]:,-1-[#7,#6,#8]-,#[#6,#7] Row: 941 Displacement of [3H]CPPA from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 22 [#6]-[#6]-,#[#8,#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 942 Inhibition of high affinity uptake by the dopamine transporter from rat synaptosomal nerve endings by using [3H]DA as radioligand * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 15 [#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6]-[#8,#16,#53])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 943 Displacement of [3H]N-methyl-scopolamine from human muscarinic M2 receptor expressed in CHO K1 cells * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 14 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6](-[#6])-[#7,#8]-[#6]-1=[#8] Row: 944 Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells by Top Count analysis * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 14 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#6](-[#7,#8])=[#8]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 945 Displacement of [125I]-MePhe7-NKB from human NK3 receptor expressed in CHO cells after 90 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 27 [#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7,#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 946 Displacement of [3H](E)-N1-(2-methoxybenzyl)cinnamamidine from human NR2B expressed in Ltk- cells * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 17 [#6,#7,#8]-,#[#8,#6,#7]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#6,#7,#8]-[#7,#6]-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#7,#6]:,-[#6]:,-[#6,#7]:,-1 Row: 947 Displacement of [3H]CCPA from adenosine A1 receptor in bovine cortical membrane * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 24 [#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2-[#6]-[#6]-[#8,#6]-[#6]-2)-[#6](-[#6]-1-[#8])-[#8,#6] Row: 948 Inhibition of rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 7 [#6]-[#7,#6]-[#6]1-[#6]-[#7,#6]-[#6]-[#6,#7]-1 Row: 949 Inhibition of bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 7 [#6]-[#7,#6]-[#6]1-[#6]-[#7,#6]-[#6]-[#6,#7]-1 Row: 950 Inhibition of mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 7 [#6]-[#7,#6]-[#6]1-[#6]-[#7,#6]-[#6]-[#6,#7]-1 Row: 951 Binding affinity for human factor Xa * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 23 [#6,#7]-,#[#6]-[#7,#6]1:[#6](-[#6](=[#8])-[#7]-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6](-[#6])-[#6]):[#6,#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 952 Inhibition of human recombinant DPP4 assessed as Gly-Pro-pNA cleavage * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 23 [#8,#6,#7]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7]2:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3-[#17])-[#17]):[#6](-[#6]-[#7]):[#6](:[#7]:[#6]:2:[#7]:1)-[#6] Row: 953 Ki value against human carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 954 Inhibition of high affinity uptake by the norepinephrine transporter from rat synaptosomal nerve endings by using [3H]NE as radioligand * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 15 [#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6]-[#8,#16,#53])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 955 Inhibition of human recombinant soluble epoxide hydrolase by FRET-based ACPU displacement assay * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 21 [#6,#8,#9]-,=[#6,#16](=,-[#8,#6,#9])-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#7,#6]-[#6](=[#8])-[#7,#6]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#8,#16]-,=[#9,#6,#8] Row: 956 Displacement of [3H]5-HT from human 5HT7 receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 12 [#7,#6]-[#6]-[#6]-[#6,#7]1:,-[#6]:,-[#7,#6,#8,#16]:,-[#6](:,-[#6]:,-1):[#6]:[#6]:[#6]:[#6] Row: 957 Displacement of [3H]8-OH-DPAT from human 5-HT1A receptor transfected in CFO-K1 cells after 30 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 12 [#7,#6]-[#6]-[#6]-[#6,#7]1:,-[#6]:,-[#7,#6,#8,#16]:,-[#6](:,-[#6]:,-1):[#6]:[#6]:[#6]:[#6] Row: 958 Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 20 [#6]-[#7]1:[#6]:[#6](:[#6]:[#7]:1):[#6]1:[#7]:[#6](:[#7]:[#7]:1:[#6](:[#7])-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 959 Binding affinity for recombinant human CRF1 receptor * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 18 [#6,#8,#17]-[#6]1:[#6]:[#6](-[#6,#8,#17]):[#6](:[#6](:[#6]:1)-[#6,#8,#17])-[#6,#7]-[#6]1:[#7,#6]:[#6](-[#6,#7]):[#7,#6]:[#6](:[#6,#7]:1)-[#7,#6] Row: 960 Displacement of [3H]citalopram from rat brain cerebral cortex SERT by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 38 [#8]=[#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:[#6]:[#6]:[#6]:[#7]:2:[#6](:[#7]:1-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-,=[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#9,#17,#35])=[#8] Row: 961 Displacement of [3H]citalopram from Sprague-Dawley rat brain SERT after 60 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 17 [#7,#8]-,=[#6]-[#6]-[#16]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 962 Binding affinity for 1 uM [3H]diprenorphine against human Opioid receptor kappa expressed in chinese hamster ovary cells (CHO cells) * postgresql://localhost/chembl_23 Mean nAts 36.0, mcs nAts: 30 [#6]-[#6](=[#8])-[#8]-[#6]1-[#6]-[#6](-[#6](=,-[#8])-,=[#8,#7])-[#6]2(-[#6](-[#6]-1=[#8])-[#6]1(-[#6]-[#6](-[#8]-[#6](-[#6]-1-[#6]-[#6]-2)=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])-[#6] Row: 963 Displacement of [3H]-naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#7,#8])-[#6]-,=[#6]-[#6]-[#6]-3 Row: 964 In vitro displacement of CP-55940 binding to human CB2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 24 [#6,#7,#8]-[#7,#8]-[#6](=[#8])-[#6]1:[#7,#16]:[#6,#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#17]):[#7,#6](:[#6,#7,#16]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#17,#6,#8,#9,#35] Row: 965 Displacement of [125I]AB-MECA from rat adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6](=,-[#8,#7])-,=[#7,#6,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 966 Binding affinity towards human opioid receptor like 1 was determined by using [3H]nociceptin as radioligand expressed in Chinese hamster ovary (CHO) cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 27 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](-,=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#17,#6,#7,#9] Row: 967 Inhibition of human coagulation factor 11a at 25 degC * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 24 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](:[#7]:1)-[#17] Row: 968 Displacement of [3H]N/OFQ from human recombinant ORL1 receptor expressed in HEK293 cells after 45 mins by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 24 [#7,#6]1-,:[#6]-[#6]-[#7](-[#6]-[#6]-,:1)-[#6]-[#6]-[#6](=[#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#6](=[#8])-[#7](-[#6])-[#6] Row: 969 Inhibitory activity against HCV NS3 protease * postgresql://localhost/chembl_23 Mean nAts 53.7, mcs nAts: 36 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]2-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#6])-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#8,#7,#16]-2):[#6]:1)-[#6](=[#8])-[#6](=,-[#8,#7])-,=[#8,#7] Row: 970 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation counter * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 30 [#6,#7,#8]-,=[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6]2:[#7]:[#7](-[#6]):[#6]:[#6]:2:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 971 Displacement of [3H]diprenorphine from human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 16 [#6]1:[#6,#7]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#6]1=,-[#6]-[#6]-[#8]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 972 Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 17 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6,#7]:[#6]:[#6,#7]:[#6]:1 Row: 973 Displacement of fluorescein-CSSRFESLFAGEKESR from human androgen receptor-LBD after 1 hr by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 174.3, mcs nAts: 98 [#6]-[#6](-[#6])-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6,#16])-[#7]-[#6](=[#8])-[#6](-[#6]-[#16,#6])-[#7]-[#6](=[#8])-[#6](-[#6,#7])-[#7,#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#16,#6])-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6,#7])-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6,#16])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6]-[#8,#6])-[#6](=[#8])-[#7]-[#6](-[#6](=[#8])-[#7]-[#6](-[#6]-[#16,#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6,#16])-[#6](=[#8])-[#7,#8])-[#6] Row: 974 Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 17 [#6,#7,#8]-,=[#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6,#7]:[#6]:[#6,#7]:[#6]:1 Row: 975 Binding affinity for 5-HT4 receptor using [3H]GR-113808 * postgresql://localhost/chembl_23 Mean nAts 54.5, mcs nAts: 28 [#6]-[#8]-[#6]1:[#6]:[#6](-[#7]):[#6](:[#6]:[#6]:1-[#6](=[#8])-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6]-[#6,#7]-[#6,#7]-[#6]-[#6,#7,#8]-[#6,#7,#8]-,=[#6,#8])-[#17] Row: 976 Displacement of [3H]-N-Methyl-Lysergic acid diethylamide from human 5-HT6 receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 19 [#6]-[#6]-[#7]-[#6](=[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6,#7]-,=[#6]-[#6]=,-[#7,#6]-1 Row: 977 Inhibition of JAK1 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 13 [#6]-[#7,#8]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#7]:[#6]:2=[#8] Row: 978 Inhibition of JAK2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 13 [#6]-[#7,#8]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#7]:[#6]:2=[#8] Row: 979 Inhibition of matriptase (unknown origin) using MeSO2-D-Cha-Gly-Arg-pNA as substrate * postgresql://localhost/chembl_23 Mean nAts 43.2, mcs nAts: 33 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-,=[#7,#6,#8] Row: 980 Binding affinity to human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 20 [#8,#6,#7]=,-[#16](=[#8])(-,=[#7,#6,#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#17,#6,#8] Row: 981 Inhibition of human factor 10a using CH3OCO-D-Cha-Gly-Arg-pNA as substrate * postgresql://localhost/chembl_23 Mean nAts 43.2, mcs nAts: 33 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7,#6]-[#6]-,=[#7,#6,#8] Row: 982 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 31 [#8]=[#6,#16](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#16](=,-[#8,#6])-[#7]-[#6]1:[#6,#7]:[#6]:[#6]:[#7,#6]:[#6,#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1=[#8] Row: 983 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activation by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 29 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#16,#7])-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 984 Inhibition of human CA9 by CO2 hydration activity based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 8 [#6,#8,#16]-[#6]1:[#7]:[#8]:[#7]:[#6]:1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 985 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 22 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]4:[#16,#7]:[#6](:[#7,#8]:[#6]:4:[#6]:[#6]-2:1)-[#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 986 Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 22 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]4:[#16,#7]:[#6](:[#7,#8]:[#6]:4:[#6]:[#6]-2:1)-[#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 987 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 12 [#8]=,-[#6]1-,=[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 988 Displacement of [3H]CCPA from human A1 adenosine receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 17 [#6]-[#7,#8]-[#6]1:[#7]:[#6](-[#7]):[#7]2:[#6](:[#7]:1):[#7]:[#6](:[#7]:2)-[#6]1:[#6,#8]:[#6]:[#6]:[#8,#6]:1 Row: 989 Competitive inhibition of human aromatase extracted from placental microsomes by Lineweaver- Burk plots analysis in presence of [1beta-3H]androstenedione * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 20 [#6]-[#6]12-[#6]-[#6]-[#6]3-[#6](-[#6]-1-[#6]-[#6]-[#6]-2-,=[#8])-[#6]-,=[#6]-[#6]1-[#6]-3(-[#6]-,=[#6]-[#6]-[#6]=1)-[#6] Row: 990 Displacement of [33P]ATP from human recombinant FLT3 domain after 20 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 19 [#7]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#7,#6]:,-1 Row: 991 Inhibition of human recombinant Aurora A * postgresql://localhost/chembl_23 Mean nAts 40.7, mcs nAts: 31 [#6]1:[#6]:[#6]2:[#6](-[#7]-[#6]3:[#6]:[#6](-[#6]-[#6](=[#8])-[#7]-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#7]:[#7]:3):[#7]:[#6]:[#7]:[#6]:2:[#6]:[#6]:1-[#8]-[#6]-[#6]-[#6]-[#7] Row: 992 Displacement of [125I]alpha-bungarotoxin from alpha7 nAchR in rat frontal cortices * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 19 [#6,#7]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6,#7]1:[#6]:[#7,#6](-[#6]2-[#6]-[#7]3-[#6]-[#6]-[#6]-2-[#6]-[#6]-3):[#7]:[#7]:1 Row: 993 Displacement of [3H]RAMHA from human histamine H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 16 [#7,#6,#8]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7,#6] Row: 994 Displacement of [3H]RAMHA from histamine H3 receptor in Wistar rat brain membrane * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 16 [#7,#6,#8]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7,#6] Row: 995 Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 7 [#7,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 996 Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 7 [#7,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 997 BindingDB_Patents: Binding Assay. Binding assay of certain compounds of this invention to the opioid receptor was determine using radioligand binding assay (screening and dose-displacement). * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 28 [#6]-[#8]-[#6]-[#6]1-[#6]-[#6]23-[#6]-[#6]-[#6]-1(-[#8]-[#6])-[#6]1-[#8]-[#6]4:[#6]5-[#6]-2-1-[#6]-[#6]-[#7](-[#6]-3-[#6]-[#6]:5:[#6]:[#6]:[#6]:4-[#8]-[#6])-[#6] Row: 998 Inhibition of PIM2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 16 [#8,#6]=,-[#6](-[#7]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#7]1-[#6]-[#6]-[#6,#7]-[#6]-[#6]-1)-,=[#6,#8] Row: 999 Inhibition of human recombinant full-length Fyn using Src substrate peptide after 15 mins incubation by MicroBeta liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 18 [#6](-,=[#6]-[#7]1:[#7]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1000 Inhibition of human DPP9 * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 23 [#8,#6,#7]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7]2:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3-[#17])-[#17]):[#6](-[#6]-[#7]):[#6](:[#7]:[#6]:2:[#7]:1)-[#6] Row: 1001 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.3, mcs nAts: 9 [#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]-[#6]-[#6]):[#7]:[#7]:1 Row: 1002 BindingDB_Patents: Radioligand Binding Assay. Radioligand binding assays were conducted using freshly thawed membranes expressing human mu-receptors (Perkin Elmer, Shelton, Conn.). Radioligand dose-displacement binding assays for human mu-opioid receptors used 0.2 nM[3H]-diprenorphine (NEN, Boston, Mass.), with 5-20 mg membrane protein/well in a final volume of 500 uL binding buffer (10 mM MgCl2, 1 mM EDTA, 5% DMSO, 50 mM HEPES, pH 7.4). Reactions were carried out in the absence or presence of increasing concentrations of unlabeled naloxone. All reactions were conducted in 96-deep well polypropylene plates for 1-2 hrs at about 25 C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard, Meriden, Conn.) presoaked in 0.5% polyethylenimine using a 96-well tissue harvester (Brandel, Gaithersburg, Md.) followed by performing three filtration washes with 500 uL of ice-cold binding buffer. Filter plates were subsequently dried at 50 C. for 2-3 hrs. * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 17 [#7,#6]=,-[#6]1:,-[#7]:,-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:,-[#7]:,-1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1003 Inhibition of human CA12 by CO2 hydration activity based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 8 [#6,#8,#16]-[#6]1:[#7]:[#8]:[#7]:[#6]:1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 1004 Displacement of [3H]-(R)-2-(5-chloro-2,4-dihydroxybenzoyl)-N-ethylisoindoline-1-carboxamide from human his(6)-tagged HSP90alpha after 30 mins by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#7]:[#6](:[#7]:1)-[#7] Row: 1005 Binding affinity to human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 17 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]1:[#6](:[#7]:2-[#6,#16])-[#6]-[#7](-[#6]-1)-[#6] Row: 1006 Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membrane * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 20 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6,#7,#8] Row: 1007 Inhibition of human ENT1 * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 26 [#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#16]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-1-[#8])-[#8] Row: 1008 Displacement of [3H]DPCPX from adenosine A1 receptor in Wistar rat brain cortex by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 26 [#8,#6]=,-[#6](-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#7]:[#7]:[#7]:2-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-,=[#6,#8] Row: 1009 Binding affinity to human factor 11a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 39.3, mcs nAts: 25 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6](-[#7]-2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1010 Inhibition of Electrophorus electricus AChE using acetylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method * postgresql://localhost/chembl_23 Mean nAts 42.1, mcs nAts: 34 [#6]-[#6]1(-[#6])-[#6](-[#8])-[#6]-[#6]-[#6]2(-[#6]-1-[#6]-[#6]-[#6]1(-[#6]-2-[#6](=[#8])-[#6]=[#6]2-[#6]-1(-[#6]-[#6]-[#6]1(-[#6]-2-[#6]-[#6](-[#6])(-[#6](=,-[#8,#7])-,=[#8,#7])-[#6]-[#6]-1)-[#6])-[#6])-[#6])-[#6] Row: 1011 Inhibition of [3H]U-69593 binding to human Opioid receptor kappa 1 * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 8 [#6,#7]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#7,#6,#8] Row: 1012 Inhibition of equine serum BChE using butyrylthiocholine iodide as substrate after 20 mins measured for 1 min interval for 30 mins by Ellman's method * postgresql://localhost/chembl_23 Mean nAts 42.1, mcs nAts: 34 [#6]-[#6]1(-[#6])-[#6](-[#8])-[#6]-[#6]-[#6]2(-[#6]-1-[#6]-[#6]-[#6]1(-[#6]-2-[#6](=[#8])-[#6]=[#6]2-[#6]-1(-[#6]-[#6]-[#6]1(-[#6]-2-[#6]-[#6](-[#6])(-[#6](=,-[#8,#7])-,=[#8,#7])-[#6]-[#6]-1)-[#6])-[#6])-[#6])-[#6] Row: 1013 BindingDB_Patents: In Vitro Assay. Receptor binding assay: Membranes were prepared from CHO cells expressing S1P1 or S1P3 for use in ligand and 35S-GTPgammaS binding studies. Cells were suspended in 50 mM TRIS, pH 7.4, 2 mM EDTA, 250 mM Sucrose (buffer A) and 1x Complete protease inhibitor cocktail (Roche), and disrupted at 4 C. by nitrogen decompression using a cell disruption bomb (Parr Instrument). Following centrifugation at 1000 RPM for 10 min at 4 C, the supernatant was suspended in buffer A and centrifuged again at 19000 RPM for 60 min at 4 C. The pellet was then suspended in 10 mM HEPES, pH 7.4, 1 mM EDTA, 250 mM Sucrose (Buffer B), and 1x Complete EDTA-free protease inhibitor cocktail and homogenized using a potter. Membranes were flash frozen in liquid nitrogen and stored at -80 C. [33P]sphingosine 1-phosphate (3000 Ci/mmol; American Radiolabeled Chemicals, Inc.) was added to test compounds in DMSO. Membranes and WGA SPA beads (GE Healthcare) were added to give a final volume of 100 ul in 96-well plates. * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#7]:[#8]:[#6](:[#7]:1)-[#6]1:[#6]:[#6,#7]:[#6](:[#6]:[#6]:1)-[#6,#7] Row: 1014 Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 20 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6,#7,#8] Row: 1015 Displacement of [125I][Phe13,Tyr19]-MCH from rat MCHR1 by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 24 [#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#7]1:[#6]:[#7]:[#7,#6]2:[#6](:[#6]:1=[#8]):[#7,#6,#16]:[#6](:[#6,#7]:2)-[#6]1:[#6,#7]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#17] Row: 1016 Binding affinity to Bcl-XL in 1% human serum by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 45.9, mcs nAts: 38 [#8]=[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7](=[#8])-[#8])-[#7]-[#6]-[#6]-[#16,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6] Row: 1017 Binding affinity to PEST and transmembrane regions lacking N-terminal His6/MBP-tagged human MCl1 (172 to 327 residues) expressed in Escherichia coli Rosetta2(2DE3) pLysS cells assesed as inhibition of protein interaction with carboxyfluorescein-labeled 26-mer Noxa peptide by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 9 [#8,#6,#9]=,-[#6,#8]-[#6](:[#6]:[#6]:[#6]-,=[#8,#6]):[#6]:[#6] Row: 1018 Inhibition of [3H]naltrindole binding to human Opioid receptor delta 1 * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 8 [#6,#7]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#7,#6,#8] Row: 1019 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 7 [#7,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1020 Inhibition of human cloned cytosolic carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 1021 Inhibition of human cloned cytosolic carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 1022 BindingDB_Patents: ORL-1 Receptor Binding Assay. ORL-1 Receptor Binding Assay Procedures: Membranes from recombinant HEK-293 cells expressing the human opioid receptor-like receptor (ORL-1) (Receptor Biology) were prepared by lysing cells in ice-cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000×g for 15 min at 4° C. and pellets resuspended in hypotonic buffer to a final concentration 1-3mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of the ORL-1 receptor membranes were stored at -80° C. * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 8 [#7,#6]-[#6,#7]1-,=,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7] Row: 1023 Binding affinity to Bcl-XL by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 45.9, mcs nAts: 38 [#8]=[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7](=[#8])-[#8])-[#7]-[#6]-[#6]-[#16,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6] Row: 1024 Displacement of [3H]dofetidile from human ERG by whole-cell patch clamp * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 23 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#6]-1-[#6]-[#7]-2-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1):[#6,#7]:[#6,#7]:[#8,#6,#7,#16] Row: 1025 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 28 [#6]-[#6]1:[#6]:[#6]:[#6,#7](:[#8,#7]:1)-[#6]1:[#7,#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#8]-[#6]2:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:2):[#6,#7]:[#6](:[#7]:1)-[#6]1:[#7,#6]:[#6]:[#6]:[#16,#8]:1 Row: 1026 Displacement of [3H]PK11195 from TSPO in Wistar rat heart incubated for 15 mins * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 14 [#8,#6]=,-[#6](-,=[#6,#8])-[#7](-[#6]-[#6])-[#6]1:[#6]:[#6,#7]:[#6]:[#6,#7]:[#6]:1-[#8,#6,#16]-,=[#6,#8] Row: 1027 Displacement of [3H]Iloprost from human prostanoid IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 23 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6])-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](=[#8])-[#8] Row: 1028 Binding affinity measured for human C-C chemokine receptor type 3 expressed on human K562 cell membrane * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 17 [#17,#6,#8,#9,#35,#53]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]=[#6]1-[#6]-[#6]-[#7]2-,:[#6]-1=,:[#7]-,:[#6]:[#6]-,:[#6]-,:2 Row: 1029 Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 1030 Inhibition of Homo sapiens (human) protoporphyrinogen oxidase * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 19 [#8]=,-[#6]1-[#6]2=,-[#6](-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#7]-1-[#6]1:[#6]:[#6](-[#8,#7]):[#6](:[#6]:[#6]:1-[#9,#8,#17])-[#35,#17] Row: 1031 Inhibition of human cloned transmembrane tumor-associated catalytic domain of carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 1032 Inhibition of HIV1 protease expressed in Escherichia coli * postgresql://localhost/chembl_23 Mean nAts 50.3, mcs nAts: 33 [#6]-[#7,#8]-[#6](-[#6,#7]-[#7,#6]-[#7,#6](-[#6,#7]-[#6,#7]-[#6]-[#6](-[#8])(-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#8])-,=[#6,#8])-,=[#6,#8] Row: 1033 Binding affinity for adenosine A2b receptor by using as [3H]ZM-241385 (14 nM) radioligand in membranes from HEK-A2B cells * postgresql://localhost/chembl_23 Mean nAts 37.7, mcs nAts: 36 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#8]-[#6]-[#6]3:[#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#7,#8]:[#8,#7]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 1034 Inhibition of human recombinant His-tagged glyoxalase 1 expressed in Escherichia coli BL21 (DE3) preincubated for 20 mins by Dixon plot analysis * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#6,#8]=,-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1035 Binding affinity towards cloned human Gonadotropin-releasing hormone receptor expressed in RBL cells was determined by using [125I]GnRH as radioligand * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 33 [#6,#7,#17]-[#6]1:[#7,#16]:[#6](-[#6]2:[#6](-[#6]):[#7](-[#6]-[#6]3:[#6](-[#9]):[#6]:[#6]:[#6]:[#6]:3-[#9]):[#6](:[#7](:[#6]:2=[#8])-[#6]-[#6](-[#7])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)=[#8]):[#6]:[#16,#6]:1 Row: 1036 Inhibition of purified human BACE1 by FRET assay * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 18 [#6]-[#7]1-[#6](=[#7])-[#7]-[#6](-[#6]-1=[#8])(-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6] Row: 1037 Displacement of [125]IABN from human D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 29 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6,#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16,#6,#7,#8]:1 Row: 1038 Displacement of [125]IABN from human D4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 29 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6,#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16,#6,#7,#8]:1 Row: 1039 Displacement of [125I]-glucagon-cex from human glucagon receptor by cell based assay in presence of 0.2% bovine serum albumin * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 29 [#6]-[#6]-[#6](-[#8,#7]-[#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6,#7]:1)-[#7]1:[#6]:[#6,#7]:[#6]:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6](=[#8])-[#8] Row: 1040 Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membranes after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1041 Inhibition of high affinity uptake by the serotonin transporter (5-HT) from rat synaptosomal nerve endings by using [3H]5-HT as radioligand * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 16 [#6,#8]-[#8,#16]-[#6]-[#6]1-[#6]-[#7]-[#6]-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 1042 Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1043 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 7 [#7,#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1044 Binding affinity to human EP4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.7, mcs nAts: 35 [#6]-[#6]-[#8]-[#6]1:[#6]2:[#6](:[#6](:[#6]3:[#6]:1:[#6,#7]:[#6]:[#6]:[#6,#7]:3)-[#8]-[#6]-[#6])-[#6](=[#8])-[#7](-[#6]-2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#16](=[#8])(=[#8])-[#7]-[#6](=[#8])-[#6]-[#6,#7,#8] Row: 1045 Binding affinity to human EP4 receptor expressed in HEK293 cells in presence of 10% human serum * postgresql://localhost/chembl_23 Mean nAts 43.7, mcs nAts: 35 [#6]-[#6]-[#8]-[#6]1:[#6]2:[#6](:[#6](:[#6]3:[#6]:1:[#6,#7]:[#6]:[#6]:[#6,#7]:3)-[#8]-[#6]-[#6])-[#6](=[#8])-[#7](-[#6]-2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#16](=[#8])(=[#8])-[#7]-[#6](=[#8])-[#6]-[#6,#7,#8] Row: 1046 Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 22.1, mcs nAts: 10 [#8,#7]=,-[#6,#16](-,=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 1047 Displacement of [3H]MSX2 from human recombinant adenosine A2A receptor expressed in CHO cells after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1048 Displacement of [3H]PK11195 from TSPO receptor in Wistar rat heart homogenate after 15 mins * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 19 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1-[#6,#16]-[#6]-,:[#6]-[#6]2:[#6]-1:[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#7]:2-[#6]-[#6]-[#9] Row: 1049 Displacement of [3H]PSB-603 from human recombinant adenosine A2B receptor expressed in CHO cells after 75 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1050 Displacement of [3H]PK11195 from TSPO receptor in rat Sprague-Dawley kidney membranes after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 16 [#6]-[#7](-[#6](=[#8])-[#6]-[#7]1:[#6](=[#8]):[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6] Row: 1051 Inhibition of recombinant human PDE10A using [3H]cAMP as substrate by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 17 [#6]-[#6]1:[#6]:[#6](-[#17,#8]):[#6]:[#6]2:[#6]:1:[#7]:[#6]1:[#7]:[#7]:[#6](:[#6]:1:[#6]:2-[#7,#8])-[#6] Row: 1052 Displacement of [3H]cAMP from human recombinant PDE10A1 by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 18 [#8,#17,#35]-[#6]1:[#6]:[#6](-[#6,#8]):[#6]2:[#6](:[#6]:1):[#6](:[#6]1:[#6](:[#7]:[#7]:[#6]:1:[#7]:2)-[#6])-[#6]-[#7] Row: 1053 Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 22.1, mcs nAts: 10 [#8,#7]=,-[#6,#16](-,=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 1054 Displacement of [3H]DHT from human androgen receptor in MDA453 cells * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 18 [#6,#7]1:[#6]:[#6](-[#7]2-[#6](=[#8])-[#6]3-[#6]4-[#6,#7]-[#6]-[#6](-[#6,#7]-3-[#6]-2=[#8])-[#8,#6]-4):[#6,#7]:[#6,#7]:[#6]:1 Row: 1055 Binding affinity against H2 receptor of Guinea pig atrium * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 13 [#8]=[#6](-[#7]-[#6,#7])-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 1056 Displacement of [3H]AMPA from homomeric recombinant GluA2 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 25 [#8]=[#6](-[#8])-[#6]1-[#6]-[#6]2-[#6]-[#6](-[#16,#6,#7,#8]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#6]3:[#7]:[#7]:[#7]:[#7]:3)-[#6]-[#6]-[#6]-2-[#6]-[#7]-1 Row: 1057 Displacement of [3H]ATPA from human Gluk1 receptor * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 25 [#8]=[#6](-[#8])-[#6]1-[#6]-[#6]2-[#6]-[#6](-[#16,#6,#7,#8]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#6]3:[#7]:[#7]:[#7]:[#7]:3)-[#6]-[#6]-[#6]-2-[#6]-[#7]-1 Row: 1058 Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 28 [#6]-[#6]1:[#6]:[#6]:[#6,#7](:[#8,#7]:1)-[#6]1:[#7,#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#8]-[#6]2:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:2):[#6,#7]:[#6](:[#7]:1)-[#6]1:[#7,#6]:[#6]:[#6]:[#16,#8]:1 Row: 1059 Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 23 [#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6](:[#7]:1)-[#7]1:[#7]:[#6](-[#6]):[#6]:[#6]:1-[#6] Row: 1060 Inhibitory activity against HIV-I protease. * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 16 [#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6](-,=[#8]):[#6,#8]:[#6]:[#8,#6]:[#6]:1=,-[#8] Row: 1061 Displacement of [3H]-CP55940 from human CB2 receptor expressed in CHO cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 12 [#6,#8]-[#6]-[#6,#7]-[#6]-[#7,#6]1:,-[#6]:,-[#6,#7]:,-[#6](:,-[#6]:,-[#6]:,-1-,=[#6,#8])=,-[#8,#6,#16] Row: 1062 Displacement of [3H]-SR141716A from human CB1 receptor expressed in CHO cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 12 [#6,#8]-[#6]-[#6,#7]-[#6]-[#7,#6]1:,-[#6]:,-[#6,#7]:,-[#6](:,-[#6]:,-[#6]:,-1-,=[#6,#8])=,-[#8,#6,#16] Row: 1063 Displacement of [125I]ABA from human adenosine A3 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6]-[#6])-[#53,#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1064 Displacement of [3H]-Iloprost from human IP receptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 25 [#6]1:[#6]:[#6](-[#8]-[#6]-[#6]):[#6]:[#6]:[#6]:1-[#6](=[#8])-[#7]1:[#6](-[#6]):[#6](-[#6]-[#6](=[#8])-[#8]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1065 Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 20 [#6]-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#7]3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=,-[#8,#6])-,=[#6,#8]):[#7]:[#6]:[#7]:[#6]:2:[#16]:1 Row: 1066 Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1067 Displacement of [3H]ZM-241385 from A2A adenosine A2A receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 27 [#8,#7]-,=[#6]-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]1:[#7]:[#6](-[#7]-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#8]-[#6](-[#6]-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 1068 Binding affinity against H1 receptor of Guinea pig ileum * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 13 [#8]=[#6](-[#7]-[#6,#7])-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 1069 Displacement of [3H]nisoxetine from norepinephrine transporter in Sprague-Dawley rat frontal cortex after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 17 [#6]-[#6]-[#8]-[#6](=[#8])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1070 Displacement of [3H]WIN 35428 from dopamine transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 17 [#6]-[#6]-[#8]-[#6](=[#8])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1071 Displacement of [3H]citalopram from serotonin transporter in Sprague-Dawley rat brain after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 17 [#6]-[#6]-[#8]-[#6](=[#8])-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1072 Inhibition of human ERG expressing HEK293 cells by [3H]dofetilide binding assay * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 26 [#8,#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]1(-[#6]-[#8]-[#6](=[#7]-1)-[#7])-[#6]1:[#6]:[#6](-[#6,#7]3:,-,=[#6]:,-[#7,#6]:,-[#6,#7,#8]:,-[#7,#6,#8]:,-[#6,#7]:,-3):[#6]:[#6]:[#6]:1-[#8]-2 Row: 1073 Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 12 [#8]=,-[#6]1-,=[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1074 Inhibition of human thrombin using Boc-Gln-Ala-Arg-7-amido-4-methyl coumarin hydrobromide * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 20 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#7,#16]):[#6]:[#6](:[#6]:1)-[#6,#8]=,-[#8,#6] Row: 1075 Displacement of [125I]ABA from human adenosine A1 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6]-[#6])-[#53,#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1076 Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 12 [#8]=,-[#6]1-,=[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1077 Competition with 20 pM [125I]BH-CCK-8S at Cholecystokinin type A receptor binding sites on guinea pig pancreatic cells * postgresql://localhost/chembl_23 Mean nAts 53.9, mcs nAts: 32 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1-[#6]2-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#6](-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:1)-,:[#6]-,:[#6]-,:[#6])-[#6]1:[#6]-2:[#6]:[#6]:[#6]:[#6]:1 Row: 1078 Binding affinity against 5-hydroxytryptamine 1C receptor in rat using [3H]mesulergine as radioligand * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 8 [#6,#7]1:,-[#6,#7]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-,=[#7,#6,#8] Row: 1079 Binding affinity towards kappa opioid receptor by displacement of [3H]EKC in guinea pig cortical tissue * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 16 [#6]-[#6]1-[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1080 Displacement of radiolabeled darglitazone from human PPAR gamma by SPA binding assay * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 26 [#6]-[#6]1:[#8]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]:1-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7]:1)-[#6]-[#6]-[#6](=[#8])-[#8] Row: 1081 Ki value against human carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 14.7, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 1082 Ki value against human carbonic anhydrase VII * postgresql://localhost/chembl_23 Mean nAts 15.0, mcs nAts: 6 [#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 1083 Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 12 [#8]=,-[#6]1-,=[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1084 Binding affinity to human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 17 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]1:[#6](:[#7]:2-[#6,#16])-[#6]-[#7](-[#6]-1)-[#6] Row: 1085 Binding affinity for the Opioid receptor mu 1 * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 13 [#6]-[#7](-[#6](=[#8])-[#6]-[#6,#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#7] Row: 1086 Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 5 after 1.5 hrs by Microbeta liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 8 [#6]1:[#6](-[#17,#6]):[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 1087 Inhibition of PDE10A (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 20 [#7,#6]-[#6]-[#6]-[#6]1:[#7]:[#6]2:[#6,#7]:[#6]:[#6]:[#6]:[#6]:2:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8] Row: 1088 Inhibition of rat ecto-5'-nucleotidase expressed in Sf9 cells by capillary electrophoresis method * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 28 [#7]-[#6]1:[#6](-[#16](=[#8])(=[#8])-[#8]):[#6]:[#6](:[#6]2:[#6]:1-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-2=[#8])-[#7]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 1089 Displacement of [3H]-PGD2 from mouse DP receptor expressed in CHO cells after 20 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 25 [#6]1:[#6]:[#6](-[#8]-[#6]-[#6]):[#6]:[#6]:[#6]:1-[#6](=[#8])-[#7]1:[#6](-[#6]):[#6](-[#6]-[#6](=[#8])-[#8]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1090 Inhibition of human CA1 by CO2 hydration activity based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 8 [#6,#8,#16]-[#6]1:[#7]:[#8]:[#7]:[#6]:1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 1091 Inhibition of human CA2 by CO2 hydration activity based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 8 [#6,#8,#16]-[#6]1:[#7]:[#8]:[#7]:[#6]:1-[#16,#6,#7,#8]=,-[#8,#6,#7] Row: 1092 Displacement of [3H]U69,593 from guinea pig cortex/cerebella kappa opioid receptor after 2 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 46.8, mcs nAts: 18 [#7,#6,#8]-[#6,#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6](=[#8])-[#6,#7]-[#7,#6]-[#6](=,-[#8,#6,#7])-,=[#6,#8] Row: 1093 Binding affinity towards human orexin receptor type 1 was determined using [125I]-Orexin A as radio ligand * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 24 [#6]-[#6]1(-[#6])-[#8]-[#6]-[#6](-[#6](-[#8]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-,=[#6](=,-[#8,#7,#16])-,=[#7,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1094 Binding affinity towards human orexin receptor type 2 was determined using [125I]-Orexin A as radio ligand * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 24 [#6]-[#6]1(-[#6])-[#8]-[#6]-[#6](-[#6](-[#8]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-,=[#6](=,-[#8,#7,#16])-,=[#7,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1095 Inhibition of human methionine aminopeptidase 1 * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 11 [#8,#16]=[#6]1-[#7]-[#6](=[#8])-[#6](-[#6](-[#7]-1)=[#8])=[#6]-[#6] Row: 1096 In vitro binding affinity for rat histamine H3 receptor using [3H]N-alpha-methylhistamine * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 19 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6](-[#7,#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#8]:1 Row: 1097 Displacement of [125I]11-Tyr somatostatin-14 from human SST5R expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 18 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16,#7,#8]:1 Row: 1098 Inhibition of cathepsin L * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6,#8,#16] Row: 1099 In vitro binding affinity for human histamine H3 receptor using [3H]N-alpha-methylhistamine * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 19 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]1:[#6]:[#6]2:[#6]:[#6](-[#7,#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#8]:1 Row: 1100 Inhibition of cathepsin K * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6,#8,#16] Row: 1101 Inhibition of cathepsin S * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#7,#6,#8,#16] Row: 1102 Binding affinity to human OX2 receptor * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#7](-[#6]-[#6]-2-[#6]-1)-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#7,#8] Row: 1103 Binding affinity to Bcl2 by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 46.2, mcs nAts: 38 [#8]=[#6](-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#7](=[#8])-[#8])-[#7]-[#6]-[#6]-[#16,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#9,#6] Row: 1104 Displacement of [3H]RTX from rat TRPV1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 13 [#6]-[#6,#7]-[#7,#6]-,=[#6,#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8,#6,#9,#17])-[#8,#6] Row: 1105 Binding affinity to human OX1 receptor * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#7](-[#6]-[#6]-2-[#6]-1)-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6,#8] Row: 1106 Displacement of [3H]MRE 3008F20 from human adenosine A3 receptor expressed in CHO cells after 120 mins by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 22 [#6]-[#6]-[#7]1-[#6](=[#8])-[#7]2-[#6]-[#6](-[#6])-[#7]=[#6]-2-[#6]2:[#6]-1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6](-[#6,#8]):[#7]:[#7,#8]:1 Row: 1107 Inhibition of [3H]PK11195 binding to TSPO in rat kidney mitochondrial membranes * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 19 [#6]-[#6]-[#6]-[#7](-[#6])-[#6](=[#8])-[#6](=[#8])-[#6]1:[#6](-[#6]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1108 Displacement of [3H]ZM 241385 from human adenosine A2A receptor expressed in CHO cells after 60 mins by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 22 [#6]-[#6]-[#7]1-[#6](=[#8])-[#7]2-[#6]-[#6](-[#6])-[#7]=[#6]-2-[#6]2:[#6]-1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6](-[#6,#8]):[#7]:[#7,#8]:1 Row: 1109 Concentration required to inhibit the binding of 20 pM [125I]BH-CCK-8S radioligand to guinea pig pancreas CCK1 receptor * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 25 [#6]-[#6]1:[#7,#6]:[#6](-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6]=,-[#8,#6]):[#6](:[#7]:1)-[#6]-[#6,#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 1110 Displacement of [3H]-CCPA from human adenosine A1 receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 12 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#17,#6]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 1111 Displacement of [3H]-NECA from human adenosine A2A receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 12 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#17,#6]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 1112 Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-induced adenylyl cyclase activity after 20 mins in presence of [alpha-32P]ATP * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 12 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#17,#6]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 1113 Displacement of [3H]-HEMADO from human adenosine A3 receptor expressed in CHO cells after 3 hrs by topcount scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 12 [#6]-[#7]1:[#6]:[#6]2:[#6](-[#17,#6]):[#7]:[#6](:[#7]:[#6]:2:[#7]:1)-[#7] Row: 1114 Displacement of [125I]-CGRP from human recombinant CGRP receptor * postgresql://localhost/chembl_23 Mean nAts 41.1, mcs nAts: 28 [#6]-[#6]1:[#6,#7]:[#7]:[#6](:[#7]:1)-[#6](-[#7]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#9])-[#9])-[#6] Row: 1115 Inhibition of recombinant rat FAAH expressed in Escherichia coli assessed as breakdown of [14C]-oleamide by Dixon plot analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 20 [#8]=[#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6](:[#8]:1)-[#6] Row: 1116 Displacement of [3H]LSD from human 5-HT6 serotonin receptor by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 20 [#6]-[#7]1:[#6]2:[#6](:[#6]3:[#6]:1:[#6]:[#6]:[#6](:[#6]:3)-[#16](=,-[#8,#6])(=[#8])-,=[#6,#7,#8])-[#6]1-[#6]-[#6]-[#6](-[#6]-2)-[#7]-1 Row: 1117 Displacement of [3H]-CP55,940 from human CB1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 22 [#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]1:[#6](:[#7]:2)-[#6]-[#6]-[#7](-[#6]-1)-[#6] Row: 1118 Displacement of [125I]CGPR from human CL receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 36.6, mcs nAts: 33 [#8]=[#6]1-[#7]-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#7,#6]:[#6,#7]:2)-[#6]-[#6]-[#6]-1-[#7]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=,-[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#7]:2 Row: 1119 Inhibition of C57BL/6 mouse eNOS assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 15 [#6,#7]1:[#7,#6]:[#6,#7]:[#6,#7]:[#7]:1-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#7,#16] Row: 1120 Inhibition of rat recombinant nNOS expressed in baculovirus-infected Sf9 cells assessed as conversion of oxyhemoglobin to methemoglobin by UV spectrophotometer analysis * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 15 [#6,#7]1:[#7,#6]:[#6,#7]:[#6,#7]:[#7]:1-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#35,#7,#16] Row: 1121 Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 31 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#6]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1)-[#6](-[#6]-2-[#8])-[#8] Row: 1122 Inhibition of PIM3 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 16 [#8,#6]=,-[#6](-[#7]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#7]1-[#6]-[#6]-[#6,#7]-[#6]-[#6]-1)-,=[#6,#8] Row: 1123 Inhibition of human thrombin * postgresql://localhost/chembl_23 Mean nAts 38.6, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6,#7,#16]-,=,#[#9,#6,#7,#8]):[#6]2:[#6]:1-[#6](=[#8])-[#7](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6])-[#6]-[#6]-2 Row: 1124 Inhibition of catalytic domain of human cloned carbonic anhydrase9 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 12 [#6]=[#7]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)=[#16] Row: 1125 Inhibition of human cloned carbonic anhydrase2 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 12 [#6]=[#7]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)=[#16] Row: 1126 Inhibition of human cloned carbonic anhydrase1 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 12 [#6]=[#7]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)=[#16] Row: 1127 Binding affinity to rat SERT * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 21 [#6]-[#7]-[#6]-[#6]1:[#6]:[#6](-[#6]#,-[#6]-[#6]-[#6]-[#7]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1128 Displacement of [3H]CP-55,940 from human recombinant CB1 receptor transfected in HEK cells * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 13 [#7,#6]1:[#6]:[#6,#7](-[#6]-[#6,#7]-,=[#7,#6,#8]):[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#6,#8,#35] Row: 1129 Displacement of [3H]CP-55,940 from human recombinant CB2 receptor transfected in HEK cells * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 13 [#7,#6]1:[#6]:[#6,#7](-[#6]-[#6,#7]-,=[#7,#6,#8]):[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#6,#8,#35] Row: 1130 Displacement of [3H]ZM2413853 from human adenosine A2A receptor expressed in human HeLa cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 12 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6,#7]:[#6](-[#6]):[#7,#6]:[#6](:[#7]:1)-[#6] Row: 1131 Binding affinity for the Opioid receptor kappa 1 * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]-[#7](-[#6](=[#8])-[#6]-[#6,#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1-[#7] Row: 1132 Inhibition of cathepsin-D (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 18 [#6]-[#7]1-[#6](=[#7])-[#7]-[#6](-[#6]-1=[#8])(-[#6]-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]-[#6] Row: 1133 Binding affinity to human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 24 [#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#7](-[#6])-[#6]-[#6]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6] Row: 1134 Inhibition of [3H]5-HT uptake at SERT in rat cortical synaptosomes * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 26 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7] Row: 1135 Binding affinity to human SERT * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 24 [#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#7](-[#6])-[#6]-[#6]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6] Row: 1136 Displacement of [3H](-)-(S)-emopamil from EBP in guinea pig liver membrane * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 8 [#6,#8]-[#7,#6]1-,=,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6,#7,#8] Row: 1137 Inhibitory activity against human tryptase enzyme * postgresql://localhost/chembl_23 Mean nAts 37.7, mcs nAts: 14 [#6]-[#6,#8]-[#7,#6,#8]-[#6](=,-[#8,#6])-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7]-[#7,#6,#8]-,=[#6,#7,#16] Row: 1138 Binding affinity to rat SERT * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 24 [#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#7](-[#6])-[#6]-[#6]-2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6] Row: 1139 Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 15 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 1140 Inhibition of HCV genotype 1a NS3/4A protease using Ac-DED(Edans)EEAbu-psi[COO]ASK(Dabcyl)-NH2 as substrate by FRET assay * postgresql://localhost/chembl_23 Mean nAts 55.7, mcs nAts: 8 [#6,#8]-,=[#6,#16](-,=[#6,#8])(-,=[#6,#8])-[#7,#6,#8]-[#6](=,-[#8,#6,#7])-,=[#7,#6,#8] Row: 1141 Inhibition of human MDR1 expressed in mouse NIH/3T3 cells assessed as inhibition of daunomycin efflux incubated for 30 mins by flow cytometry * postgresql://localhost/chembl_23 Mean nAts 48.1, mcs nAts: 42 [#6]-[#6](=[#8])-[#8]-[#6]1-[#6]-[#6]-[#6](-[#6]23-[#6]-1(-[#6](-[#6](-[#6](-[#6]-2-,=[#8,#17])-[#6](-[#8]-3)(-[#6])-[#6])-[#8]-[#6](=[#8])-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6])(-[#6])-[#8,#17] Row: 1142 Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 19 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#7]:[#6]:[#7]:2)=[#8] Row: 1143 Displacement of [3H]N-alpha-methylhistamine from rhesus monkey histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 21 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1144 Inhibitory potency was measured against bovine trypsin. * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 23 [#6]1:[#6]:[#6](-[#8]-[#6]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-2):[#7,#6]:[#6](:[#6,#7]:1)-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#7](=,-[#7,#6,#8])-,=[#7,#6,#8] Row: 1145 Displacement of [3H]CP-55,940 from human CB1 receptor expressed in CHO cell membranes after 90 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 19 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#7]2:[#6]:1:[#7]:[#6]:[#7]:2)=[#8] Row: 1146 Displacement of [3H]SCH58261 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 21 [#8,#6,#9]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#6]-[#8,#6,#7,#16]-[#6]1:[#6]:[#6]2:[#7]:[#6](-[#6]):[#7]:[#7]:2:[#6](:[#7]:1)-[#7] Row: 1147 Displacement of [3H]N-methyl-scopolamine from human muscarinic M3 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 19 [#6]-[#7]1-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6]-1=[#8] Row: 1148 Competitive inhibition of human dihydrofolate reductase by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 30 [#6,#8,#9,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:[#6]:[#6]:2:[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1149 Displacement of [3H]CCPA from rat brain cortex adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1150 Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1151 Displacement of [3H]MSX-2 from rat brain striatum adenosine A2A receptor * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1152 Displacement of [3H]MSX-2 from human recombinant adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1153 Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6](:[#6]:1=[#8]):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1154 Binding affinity for human cyclin-dependent kinase 4 * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#7]:[#7]2:[#6]:1:[#6]:[#6]:[#6]:[#7]:2 Row: 1155 Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampus homogenates after 15 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 17 [#6,#7]-[#6]-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1156 Displacement of [3H]GW2433 from human PPARalpha receptor by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 29 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#8,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-2):[#6]:[#6]:[#6]:1-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6](=[#8])-[#8] Row: 1157 Displacement of [3H]GW2433 from human PPARdelta receptor by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 29 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#8,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-2):[#6]:[#6]:[#6]:1-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6](=[#8])-[#8] Row: 1158 Displacement of [3H]rosiglitazone from human PPARgamma receptor by filtration assay * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 29 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#8,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-2):[#6]:[#6]:[#6]:1-[#16]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6](=[#8])-[#8] Row: 1159 Binding affinity to N-terminal 6xHis-tagged human Bcl-2 expressed in Escherichia coli BL21 (DE3) after 2 hrs by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 63.3, mcs nAts: 46 [#6,#7,#8,#9,#16,#17,#35]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6](-[#6](=[#8])-[#7,#8]):[#6](-[#6]):[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6] Row: 1160 Displacement of [3H]HEMADO from human A3 adenosine receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 17 [#6]-[#7,#8]-[#6]1:[#7]:[#6](-[#7]):[#7]2:[#6](:[#7]:1):[#7]:[#6](:[#7]:2)-[#6]1:[#6,#8]:[#6]:[#6]:[#8,#6]:1 Row: 1161 Displacement of [3H]NECA from human A2A adenosine receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 17 [#6]-[#7,#8]-[#6]1:[#7]:[#6](-[#7]):[#7]2:[#6](:[#7]:1):[#7]:[#6](:[#7]:2)-[#6]1:[#6,#8]:[#6]:[#6]:[#8,#6]:1 Row: 1162 Inhibition of adrenergic alpha2C receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 1163 Displacement of [3H]-CP55940 from human recombinant CB2 receptor expressed in CHO cells membrane by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 15 [#6,#8]-[#6]-,=[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6,#7]):[#6](:[#6]:[#6]:1-[#6])=[#8] Row: 1164 Displacement of [3H]-5-CT from cloned human 5HT7B receptor expressed in HEK293 cells after 1 hr by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 17 [#6,#7]-[#6]-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6,#7]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1165 Binding affinity to displace [3H]CP-55940 from CB1 receptor of rat brain * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1166 Displacement of [3H]ZM241385 from human cloned adenosine A2A receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 1167 Binding affinity to displace [3H]CP-55940 from cloned human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1168 Displacement of [3H]NECA from human cloned adenosine A3 receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:2:[#7](:[#6]:1=[#8])-[#6] Row: 1169 Inhibition of N-terminal His-6-tagged human recombinant c-Met (974 to 1390) using Ac-ARDMYDKEYYSVHNK as substrate by spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 12 [#7,#6]-[#6]1:[#6]:[#6,#7]:[#6]2:[#7,#6](:[#7]:1):[#6,#7](:[#7]:[#7]:2)-[#6]-[#6] Row: 1170 Inhibition of human recombinant GSK3beta using biotin- AAEELDSRAGS(PO3H2)PQL as substrate and [gamma32P]ATP after 20 mins by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 21 [#6]1:[#7,#6]:[#6]:[#6](:[#7,#6]:[#6]:1-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1171 BindingDB_Patents: Radioligand Binding Assay. Radioligand dose-displacement assays used 0.2 nM [3H]-Naltrindole (NEN; 33.0 Ci/mmole) with 10-20 µg membrane protein (recombinant delta opioid receptor expressed in CHO-K1 cells; Perkin Elmer) in a final volume of 500 µL binding buffer (5 mM MgCl2, 5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 25 µM unlabeled naloxone. All reactions were performed in 96-deep well polypropylene plates for 1 h at a temperature of about 25° C. Binding reactions were determined by rapid filtration onto 96-well Unifilter GF/C filter plates (Packard) presoaked in 0.5% polyethylenimine (Sigma-Aldrich). Harvesting was performed using a 96-well tissue harvester (Packard) followed by five filtration washes with 500 µL ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hrs. Fifty µL/well scintillation cocktail (MicroScint20, Packard) was added and plates were counted in a Packard Top-Count for 1 min/well. * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 20 [#6,#7]-,=[#6]1:,-[#7]:,-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:,-[#7]:,-1-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6] Row: 1172 Inhibitory activity against human carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 9 [#7,#6,#8,#16,#17]-,=[#6,#7,#16]1:,-[#6,#7]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7]-[#7,#6] Row: 1173 Binding affinity to peripheral benzodiazepine receptors using [3H]-PK11195 radioligand in rat kidney mitochondrial membrane * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 20 [#7,#8]-,=[#6](=,-[#8,#7])-[#6](=[#8])-[#6]1:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1174 Displacement of [3H]DHT from AR in human MDA-MB-453 cells * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 28 [#6]-[#6]12-[#6]-[#7](-[#8,#6,#16])-[#6]-[#6](-[#8]-1)(-[#6])-[#6]1-[#6]-2-[#6](-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#6]#[#7])=[#8] Row: 1175 Inhibition of [3H]nociceptin binding to human Opioid receptor like 1 * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 8 [#6,#7]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6] Row: 1176 Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 22 [#6]-[#6,#7]-[#6](=[#8,#16])-[#7]-[#6]-[#6](-[#6]-[#8]-[#6](=[#8])-[#6](-[#6])(-[#6])-[#6])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1177 Inhibitory constant against catalytic domain of human carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 1178 Inhibitory constant against catalytic domain of human carbonic anhydrase XII * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 1179 Displacement of [3H]PIPAT from human recombinant D2L receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#6]-[#8]-[#7]=[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 1180 Displacement of [3H]A-369508 from human recombinant D4.4 receptor expressed in HEK293 cell membrane * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#6]-[#8]-[#7]=[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 1181 Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1 cells after 2 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 22 [#8,#6]=,-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6])-,=[#6,#8] Row: 1182 Displacement of [125I]-IABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 20 [#8,#6]=,-[#6]-[#7]-[#6]-[#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8] Row: 1183 Inhibition of thrombin (unknown origin) using S-2238 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 37.3, mcs nAts: 22 [#8,#6]=,-[#6]-[#7]-[#6]-[#6]1-[#6]-[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#7]2-[#6]-[#6]-[#8,#6]-[#6]-[#6]-2)-[#6](-[#8]-1)=[#8] Row: 1184 Inhibitory activity against catalytic domain of human carbonic anhydrase XII * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 9 [#7,#6,#8,#16,#17]-,=[#6,#7,#16]1:,-[#6,#7]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7]-[#7,#6] Row: 1185 Displacement of [125I]-IABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 20 [#8,#6]=,-[#6]-[#7]-[#6]-[#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8] Row: 1186 Inhibition of bovine plasma factor 10a using CH3OCO-D-CHA-Gly-Arg-pNA.AcoH substrate * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 20 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#7,#16]):[#6]:[#6](:[#6]:1)-[#6,#8]=,-[#8,#6] Row: 1187 Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 22 [#8,#6]=,-[#6](-[#7]-[#6]-[#6](-[#8])-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6])-,=[#6,#8] Row: 1188 Inhibition of human golgi alpha mannosidase 2 * postgresql://localhost/chembl_23 Mean nAts 18.6, mcs nAts: 10 [#8,#6,#7]-[#6,#7]-[#6]-[#6]1-[#7]-[#6]-[#6](-[#6]-1-[#8])-[#8] Row: 1189 Inhibition of human ER alpha mannosidase 1 * postgresql://localhost/chembl_23 Mean nAts 18.6, mcs nAts: 10 [#8,#6,#7]-[#6,#7]-[#6]-[#6]1-[#7]-[#6]-[#6](-[#6]-1-[#8])-[#8] Row: 1190 Ability to displace [125I]-MCH()0.5 nM from human MCH1R(2.5 uM) expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 29 [#8]=[#6](-[#7]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]2:[#6]:[#6]:[#6]:[#7,#6]:[#6]:2)-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1191 Binding affinity to Rattus norvegicus (rat) alpha1D adrenoreceptor by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 10 [#6,#7,#8]-,=[#6,#16](-,=[#7,#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1192 Binding affinity to alpha1A adrenoreceptor in Rattus norvegicus (rat) submaxillary gland by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 10 [#6,#7,#8]-,=[#6,#16](-,=[#7,#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1193 Displacement of [3H]vesamicol from VAChT in Torpedo californica cholinergic synaptic vesicles * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 16 [#8,#6]=,-[#6](-,=[#6,#7,#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-,:[#6]-[#6]-[#6]-1-[#8] Row: 1194 Inhibition of chymotrypsin like activity of yeast 20S proteasome * postgresql://localhost/chembl_23 Mean nAts 55.8, mcs nAts: 36 [#6]-[#6,#7]-[#6]-[#6]-[#6,#7]-[#6]-[#6]-[#6,#7]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]=,-[#8,#6])-[#6](=[#8])-[#7]-[#6](-[#6]-,=[#8,#6])-[#6](-,=[#6,#8])-[#8] Row: 1195 Displacement of [3H]NECA from human cloned adenosine A2a receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 20 [#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7] Row: 1196 Displacement of [3H]CCPA from human cloned adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 20 [#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7] Row: 1197 Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatal membranes after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 11 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#16]:1)=[#8] Row: 1198 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells after 120 mins by scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 22 [#6]-[#6]-[#7]1-[#6](=[#8])-[#7]2-[#6]-[#6](-[#6])-[#7]=[#6]-2-[#6]2:[#6]-1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6](-[#6,#8]):[#7]:[#7,#8]:1 Row: 1199 In vitro ability to inhibit des-Gly[125I-Tyr, DLeu, NMeLeu,Pro-NEt]-GnRH radioligand binding to the cloned human GnRH receptor stably expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 28 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]1:[#6](=[#8]):[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2-[#9,#6,#8,#17,#35]):[#6](:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6,#7])=[#8] Row: 1200 Inhibitory constant against human carbonic anhydrase XIV in CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 5 [#6,#7,#8]-,=[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 1201 Displacement of [3H]DAMGO from rat cortex mu opioid receptor after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 46.8, mcs nAts: 18 [#7,#6,#8]-[#6,#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6](=[#8])-[#6,#7]-[#7,#6]-[#6](=,-[#8,#6,#7])-,=[#6,#8] Row: 1202 Displacement of [3H]DPDPE from rat cortex delta opioid receptor after 2.5 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 46.8, mcs nAts: 18 [#7,#6,#8]-[#6,#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6](=[#8])-[#6,#7]-[#7,#6]-[#6](=,-[#8,#6,#7])-,=[#6,#8] Row: 1203 Displacement of [3H]LSD from human 5-HT6 receptor expressed in human HeLa cells after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 19 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#7](-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1204 Displacement of [3H]U69593 form human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 8 [#7,#6]-[#6,#8]-[#6,#7]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 1205 Binding affinity to human ERG * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 16 [#6]-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1206 Binding affinity to human factor 7a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 25 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6](-[#7]-2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1207 Binding affinity to human factor 10a assessed as release of p-nitroaniline after 10 to 120 mins by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 25 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6](-[#7]-2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1208 Binding affinity to human 5HT5A receptor * postgresql://localhost/chembl_23 Mean nAts 17.0, mcs nAts: 12 [#6]-[#6]1-[#7]-[#6](-[#7])=[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1209 Displacement of [3H]-8-OH-OPAT from human recombinant 5HT1A receptor expressed in CHO cells after 60 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 15 [#7]-[#6]-[#6]-[#7]1-[#6]-[#6]=,-[#6,#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1210 Displacement of [3H]dihydroalprenolol from beta2 receptor (unknown origin) by liquid scintillation counting and cell based assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 22 [#8,#6]-[#6,#7]-[#6]1:[#6]:[#6](-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35,#7,#8]):[#6]:[#6]:[#6]:1-[#8] Row: 1211 Displacement of [3H]dihydroalprenolol from beta1 receptor (unknown origin) by liquid scintillation counting and cell based assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 22 [#8,#6]-[#6,#7]-[#6]1:[#6]:[#6](-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35,#7,#8]):[#6]:[#6]:[#6]:1-[#8] Row: 1212 Inhibition of human recombinant ALK L1196M mutant kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay * postgresql://localhost/chembl_23 Mean nAts 29.3, mcs nAts: 7 [#8,#6,#7]-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:1 Row: 1213 Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP/PPi exchange assay * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 26 [#6,#8]-,=[#6](=,-[#8,#6,#7])-[#7]-[#16](=[#8])(=[#8])-[#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7])-[#6](-[#6]-1-[#8])-[#8] Row: 1214 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 15 [#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1)-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6] Row: 1215 Displacement of [3H]PSB11 from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 20 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6,#7,#8] Row: 1216 Inhibition of Lactobacillus casei thymidylate synthase using N5,N10-methylene tetrahydrofolate by chromogenic assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 13 [#6]-[#7]1-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#6]-1=[#8])-[#6] Row: 1217 Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 10 [#8,#7]=,-[#6,#16](-,=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 1218 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 10 [#8,#7]=,-[#6,#16](-,=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 1219 Displacement of [3H]EYF from human NPFF2 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 13 [#6,#7]1(-[#7,#6]-[#6,#7]2:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-2)-,:[#6]-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6]-,:1 Row: 1220 Binding affinity to human KISS1R expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 89.8, mcs nAts: 73 [#6]-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#7,#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#7])=[#8])-[#7]-[#6](=[#8])-[#6](-[#6]-[#8,#6])-[#7]-[#6](=[#8])-[#6](-[#7,#6])-[#6,#7]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#7])=[#8] Row: 1221 Binding affinity to rat KISS1R * postgresql://localhost/chembl_23 Mean nAts 89.8, mcs nAts: 73 [#6]-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#7,#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#7])=[#8])-[#7]-[#6](=[#8])-[#6](-[#6]-[#8,#6])-[#7]-[#6](=[#8])-[#6](-[#7,#6])-[#6,#7]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#7])=[#8] Row: 1222 Displacement of [125I]sauvagine from human CRF1 receptor expressed in IMR32 cells * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 10 [#6,#8]-[#6]-[#6,#7]-[#7,#6,#8]-[#6]1:[#6,#7]:[#7,#6]:[#6,#7]:[#7,#6]:[#6,#7]:1 Row: 1223 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 22 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7,#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6,#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1224 Displacement of [125I]RTI-55 from human NET expressing HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 15 [#6,#8]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6]-[#7]-1 Row: 1225 Displacement of [125I]RTI-55 from human SERT expressing HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 15 [#6,#8]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6]-[#7]-1 Row: 1226 Displacement of [125I]RTI-55 from human DAT expressing HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 15 [#6,#8]-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6]-[#7]-1 Row: 1227 Inhibition of human recombinant PDE3B transfected in Sf9 cells by SPA * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 26 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:[#6]:1-[#8]-[#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#8]-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:[#6,#7]:1 Row: 1228 Inhibition of human recombinant PDE3A transfected in Sf9 cells by SPA * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 26 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#7]:[#6]:[#7]:[#6](:[#6]:2:[#6]:[#6]:1-[#8]-[#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-1)-[#8]-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#6,#7]:[#6,#7]:1 Row: 1229 Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 20 [#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#8,#6,#7]-[#6](:[#6]:[#6]:[#6]1:[#7,#6]:[#6](-[#6](=,-[#8,#7])-,=[#7,#8]):[#6,#7]:[#6,#7]:1):[#6] Row: 1230 Inhibition of muscarinic M4 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 1231 Displacement of [3H]-CP55,940 from human CB2 receptor expressed in CHO membranes after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6,#7]):[#7]:[#8]:1 Row: 1232 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1233 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1234 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1235 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1236 Inhibition of human recombinant src kinase using KVEKIGEGTYGVVYK as substrate by filter binding assay in presence of [gamma-32P]ATP * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 26 [#6]-[#16]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1237 Inhibition of human recombinant Abl kinase using [gamma-32P]ATP as substrate by filter binding assay * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 26 [#6]-[#16]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1238 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 20 [#6,#8]-,=[#6]1-,=[#6]-[#6]2(-[#6,#8])-[#6]-[#6](-[#6]-1-[#6]1-[#6](=[#8])-[#7](-[#6](-[#6]-2-1)=[#8])-[#6,#8]-[#6]-[#6]-[#7,#6])=,-[#8,#6] Row: 1239 Competitive inhibition of XIAP-BIR2 domain (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 13 [#6,#8]-,=[#6](-[#6,#7])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6,#7])-[#7,#6])-[#6](=,-[#8,#6])-[#7,#6] Row: 1240 Competitive inhibition of XIAP-BIR3 domain (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 13 [#6,#8]-,=[#6](-[#6,#7])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6,#7])-[#7,#6])-[#6](=,-[#8,#6])-[#7,#6] Row: 1241 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1242 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins to 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 11 [#6]-[#7,#6]-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1243 Displacement of [3H]-5-HT from human 5-HT1A receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 11 [#6]-[#6]-[#6]-[#7,#6]-[#6,#7](-[#6]-[#6])-[#6]-[#6]:,-[#6,#7]-[#8,#6] Row: 1244 Inhibition of F10a (unknown origin) using S-2222 as substrate incubated for 15 mins prior to substrate addition measured every 10 secs by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 37.3, mcs nAts: 22 [#8,#6]=,-[#6]-[#7]-[#6]-[#6]1-[#6]-[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#7]2-[#6]-[#6]-[#8,#6]-[#6]-[#6]-2)-[#6](-[#8]-1)=[#8] Row: 1245 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 17.1, mcs nAts: 7 [#6]-[#6]-[#6]1:,-[#6,#7]:,-[#7,#6,#8]:,-[#6,#7]:,=[#7,#6]:,-1 Row: 1246 Displacement of [3H]DAMGO form human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 8 [#7,#6]-[#6,#8]-[#6,#7]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 1247 Displacement of [3H]Naltrindole form human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 8 [#7,#6]-[#6,#8]-[#6,#7]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 1248 Inhibition of human DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 13 [#7,#6]-[#6]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#6,#8]:,-1):[#7,#6]:[#6](:[#7,#6]:[#6]:2-[#7,#6])-[#7,#8] Row: 1249 Inhibition of human carboxylesterase 1 * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 6 [#8,#6]=,-[#6](-[#6](=[#8])-[#6])-,=[#6,#8] Row: 1250 Displacement of [125I]ZM241385 from human adenosine A2A receptor in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 25 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6]-[#6])-[#53,#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1251 Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 22 [#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#16]-[#6])=[#8] Row: 1252 Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 22 [#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#16]-[#6])=[#8] Row: 1253 Inhibition of [3H]DA uptake at VMAT2 in rat striata vesicles homogenate after 8 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 16 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6,#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6] Row: 1254 Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-12 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 21.3, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:,-[#6]:,-[#6,#7]:,-[#6,#16]:,-[#6]:[#6]:,-1 Row: 1255 Inhibition of human recombinant PAK1 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 14 [#7]-[#6]1:[#6,#7]:[#6](-[#7]-[#6]2:[#6]:[#6](-[#6]):[#7]:[#7]:2):[#6]:[#6]:[#7,#6]:1 Row: 1256 Inhibition of Clostridium botulinum BoNT/A light chain (1 to 429 amino acid) using Abz-Thr-dArg-Ile-Asp-Glu-Ala-Asn-Gln-Arg-Ala-Thr-Lys-Nle-Lys(Dnp)-NH2 as substrate after 10 mins by FRET assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 6 [#6,#7]1:,-[#7,#6,#16]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 1257 Inhibitory activity against human Caspase 1 * postgresql://localhost/chembl_23 Mean nAts 36.9, mcs nAts: 16 [#6]-[#7,#6]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#8]-[#6]1:[#6,#7]:[#7,#6]:[#6]:[#6,#7]:[#7,#6]:1 Row: 1258 Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 22 [#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#16]-[#6])=[#8] Row: 1259 Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 22 [#6,#7,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7]-1-[#6]-[#6]-[#16]-[#6])=[#8] Row: 1260 Inhibition of thrombin (unknown origin) by chromogenic substrate assay * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 25 [#6]-[#7]-[#6]1:[#6,#7]:[#7,#6]:[#6]2:[#7](:[#6]:1=[#8])-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#7])-[#7])-[#6]-[#6]-2 Row: 1261 Inhibition of factor-10a (unknown origin) by chromogenic substrate assay * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 25 [#6]-[#7]-[#6]1:[#6,#7]:[#7,#6]:[#6]2:[#7](:[#6]:1=[#8])-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#7])-[#7])-[#6]-[#6]-2 Row: 1262 Displacement of [3H](+/-)-emopamil from delta8-delta7 sterol isomerase (SI) site in guinea pig liver membranes * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 15 [#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-,:[#6]-,:[#6]-,:[#6]-,:[#6,#7]-[#6]-[#6]-,=[#6]-[#7,#6] Row: 1263 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 20.8, mcs nAts: 15 [#6]-[#6]1:[#7]:[#6]2:[#6](-,=[#8,#7]):[#7]:[#6]3:[#6](:[#7]:2:[#7]:1):[#6]:[#6]:[#6]:[#6]:3 Row: 1264 Inhibition of human recombinant full length MMP13 assessed as type 3 collagen cleavage activity after 18 hrs * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 30 [#8,#6]=,-[#6,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#6]-[#7]1:[#7]:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#7,#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1265 Displacement of [3H]paroxetine from 5-HT transporter in rat frontal cortical synaptosomes * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 26 [#6]1=[#6](-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1266 Displacement of [125I][Phe13,Tyr19]-MCH from human MCHR1 expressed in HEK293 cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 24 [#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#7]1:[#6]:[#7]:[#7]2:[#6](:[#6]:1=[#8]):[#7,#6]:[#6](:[#6,#7]:2)-[#6]1:[#6,#7]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#17] Row: 1267 In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 8 [#16,#6,#7,#8]=,-,#[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6]-,:1 Row: 1268 In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 8 [#16,#6,#7,#8]=,-,#[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6]-,:1 Row: 1269 Displacement of [3H]CP-55940 from human recombinant cannabinoid CB1 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 22 [#7,#8,#16]-,=[#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1270 Displacement of [3H]CP-55940 from human recombinant cannabinoid CB2 receptor expressed in CHO cells after 3 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 22 [#7,#8,#16]-,=[#6](=,-[#8,#6,#7])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1271 Inhibition of recombinant human alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 8 [#7]-[#6]-[#6](-[#7])-[#15](=[#8])(-[#8])-[#8,#6] Row: 1272 Inhibition of [3H]methyl-AdoMet binding to human phenylethanolamine N-methyl-transferase expressed in Escherichia coli BL21 * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 16 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#7]-[#6](-[#6]-2)-[#6]-[#9] Row: 1273 In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 8 [#16,#6,#7,#8]=,-,#[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6]-,:1 Row: 1274 In vitro binding affinity was determined as displacement of [3H]N-R-methylhistamine from C6 cell membranes expressing rat histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 8 [#16,#6,#7,#8]=,-,#[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7]-,:[#6]-,:[#6]-,:1 Row: 1275 BindingDB_Patents: Binding Assay. Methods for performing in vitro dopamine receptor binding studies are described in Huang et al. J. Med. Chem. 44:1815-1826 (2001) and Luedtke et al. Synapse 38:438-439 (2000). These papers describe radioactively labeled dopamine receptor selective ligands binding with picomolar affinity and nonselectivity to D2 and D3 dopamine receptors expressed in Sf9 and HEK 293 cells. 125I-IABN binds with 7- to 10-fold lower affinity to human D4.4 dopamine receptors expressed in HEK 293 cells. Dissociation constants (Kd) calculated from kinetic experiments were found to be in agreement with equilibrium Kd values obtained from saturation binding studies. Saturation plots of the binding of 125I-IABN with rat caudate membrane preparations were monophasic and exhibited low nonspecific binding. * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 21 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8])-,=[#6,#8] Row: 1276 Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4D5 (PDE4D5) in baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-1)-[#6] Row: 1277 Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4D3 (PDE4D3) in baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-1)-[#6] Row: 1278 Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4DE (PDE4DE) in baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-1)-[#6] Row: 1279 Displacement of [3H]dexamethasone from human recombinant glucocorticoid receptor expressed in baculovirus after 18 hrs by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 22 [#8]=[#6]1:[#7]:[#6](=[#8]):[#6](:[#6](:[#7]:1)-[#6,#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6] Row: 1280 Inhibitory constant was determined against 5-hydroxytryptamine 1A receptor using 1.2 nM [3H]8-OH-DPAT * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 15 [#6]-[#6]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]-[#6]1:,-[#6]:,-[#6,#8]:,-[#6]:[#6]:,-[#6,#8]:,-1 Row: 1281 Inhibition of human cloned carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-,#[#7,#6,#8,#16]-[#6]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1 Row: 1282 Inhibition of human cloned carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-,#[#7,#6,#8,#16]-[#6]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1 Row: 1283 Inhibition of human cloned carbonic anhydrase 9 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#7,#6]-,#[#7,#6,#8,#16]-[#6]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1 Row: 1284 Inhibition of human cloned carbonic anhydrase 12 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#6,#7]-,#[#8,#6,#7,#16]-[#6]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1 Row: 1285 Affinity against adenosine A1 receptor in the brain membranes by the displacement of [3H]CPX. * postgresql://localhost/chembl_23 Mean nAts 15.6, mcs nAts: 11 [#8,#6]=,-[#6,#7]1:[#7,#6]:[#6,#7](=,-[#8,#6]):[#6]2:[#6](:[#7,#6]:1):[#7]:[#6]:[#7]:2 Row: 1286 Displacement of [125I]ABN from human dopamine D2 long receptor expressed in HEK293 cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 16 [#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#7,#6,#8,#16]:[#6](:[#6,#8,#16]:1):[#6,#7]:[#6]:[#6]:[#6] Row: 1287 Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 16 [#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#7,#6,#8,#16]:[#6](:[#6,#8,#16]:1):[#6,#7]:[#6]:[#6]:[#6] Row: 1288 Displacement of [125I]ABN from human dopamine D4 receptor expressed in HEK293 cells after 60 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 16 [#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#7,#6,#8,#16]:[#6](:[#6,#8,#16]:1):[#6,#7]:[#6]:[#6]:[#6] Row: 1289 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain homogenates after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 16 [#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#7,#6,#8,#16]:[#6](:[#6,#8,#16]:1):[#6,#7]:[#6]:[#6]:[#6] Row: 1290 Displacement of [125I]BE-2254 from human adrenergic Alpha-1D receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 1291 Binding affinity towards human melanocortin 4 receptor expressed in HEK 293 cells using [125I]NDP-MSH * postgresql://localhost/chembl_23 Mean nAts 45.3, mcs nAts: 29 [#6,#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#7]-[#6](=[#8])-[#6] Row: 1292 Inhibitory activity against human carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 8 [#6,#7,#16]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-[#7,#6] Row: 1293 BindingDB_Patents: Binding Assay. PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 10 [#6]-[#7]1:[#6]:[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8]):[#6]:[#7]:1 Row: 1294 BindingDB_Patents: Binding Assay. PIM-1, -2, and -3 enzymes were generated as fusion proteins expressed in bacteria and purified by IMAC column chromatography (Sun, X., Chiu, J. F., and He, Q. Y. (2005) Expert Rev. Proteomics, 2:649-657). A fluorescent-labeled Pim-specific peptide substrate, was custom synthesized by American Peptide Company (Sunnyvale, Calif.). Reaction Buffer contained 10 mM HEPES, pH 7.2, 10 mM MgCl2, 0.01% Tween 20, 2 mM DTT. Termination Buffer contained 190 mM HEPES, pH 7.2, 0.015% Brij-35, 0.2% Coating Reagent 3 (Caliper Life Sciences, Hopkinton, Mass.), 20 mM EDTA. Separation Buffer contained 100 mM HEPES, pH 7.2, 0.015% Brij-35, 0.1% Coating Reagent 3, 1:200 Coating Reagent 8 (Caliper Life Sciences, Hopkinton, Mass.), 10 mM EDTA and 5% DMSO. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 10 [#6]-[#7]1:[#6]:[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8]):[#6]:[#7]:1 Row: 1295 Binding affinity for alpha-2A adrenergic receptor * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 22 [#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#8]-[#7]=[#6]2-[#6]-1-[#6]-,=[#8,#6,#7]-[#6]1:[#6]-2:[#6]:[#6]:[#6]:[#6]:1 Row: 1296 Displacement of [3H]-RAMH from human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 11 [#6]-[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]2:[#6](:,-[#6]:,-1):[#6]:[#6]:[#7,#6]:2 Row: 1297 Displacement of [125I]AB-MECA at human A3A receptor expressed in CHO cell membrane after 60 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 12 [#6]-[#6]1:[#7]:[#6]2:[#7,#6]:[#7](-[#6]):[#7]:[#6]:2:[#6](:[#7]:1)=,-[#8,#7] Row: 1298 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 6 [#6]1=,:[#6]-,:[#6]-,=,:[#7,#6]-,:[#16,#6]-,:[#8,#6]-,:1 Row: 1299 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 6 [#6]1=,:[#6]-,:[#6]-,=,:[#7,#6]-,:[#16,#6]-,:[#8,#6]-,:1 Row: 1300 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 6 [#6]1=,:[#6]-,:[#6]-,=,:[#7,#6]-,:[#16,#6]-,:[#8,#6]-,:1 Row: 1301 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 6 [#6]1=,:[#6]-,:[#6]-,=,:[#7,#6]-,:[#16,#6]-,:[#8,#6]-,:1 Row: 1302 Inhibition of Bacillus anthracis lethal factor assessed as proteolysis using MCA-KKVYPYPME-Dap(Dnp)-NH2 peptide substrate by FRET assay * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 13 [#6]1:,-[#6]:,-[#6,#7](-[#7,#6,#16]-[#6,#7]-[#6,#7]-[#6,#7]-[#6]-[#6,#7,#8]):,-[#6]:,-[#6]:,-[#6,#7]:,-1-[#9,#6,#8] Row: 1303 Displacement of [3H]LSD from 5-HT7 receptor (unknown origin) expressed in CHO-K1 cells by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 20 [#8]=[#6](-[#6]-[#6]-[#6]-[#6]-[#7,#6])-[#7]1:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1304 In vitro binding affinity by measuring the inhibition of bovine trypsin * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 19 [#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1305 Inhibitory activity against scytalone dehydratase enzyme obtained from Magnaporthe grisea * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 15 [#6,#7]-,#[#6]-[#6]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1306 Displacement of [3H]Nalpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 13.6, mcs nAts: 7 [#6,#7,#8]-[#6]-[#6]1:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6,#8]:,-1 Row: 1307 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1308 Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv1284 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1309 Inhibition of Mycobacterium tuberculosis recombinant beta-carbonic anhydrase Rv3273 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1310 Displacement of [3H]U69593 from kappa opioid receptor in guinea pig cerebellum * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 25 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4(-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])-[#6]-[#6]-[#6](-[#8]-4)(-[#6]-3)-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1311 Displacement of [3H]DAMGO from mu opioid receptor in guinea pig forebrain * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 25 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4(-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])-[#6]-[#6]-[#6](-[#8]-4)(-[#6]-3)-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1312 Binding affinity for HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 53.9, mcs nAts: 46 [#8]=[#6](-[#7]-[#8,#6,#7])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]1-[#6](=[#8])-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6](=[#8])-[#7]-[#8,#6,#7])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8])-[#8] Row: 1313 Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum tissue after 20 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 19 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1314 Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 22 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]4:[#16]:[#6](:[#7]:[#6]:4:[#6]:[#6]-2:1)-[#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 1315 Displacement of [3H]ketanserin from 5HT2A in rat brain cerebral cortex after 20 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 19 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1316 Displacement of [3H]8OH-DPAT from 5HT1A in rat brain cerebral cortex after 15 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 19 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1317 Displacement of [3H]-8-OH-DPAT from 5HT1A in CRL:CD(SD)BR-COBS rat brain hippocampus after 30 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 27 [#6]-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:1):[#6](:[#7](:[#6](:[#7])=[#8])-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8])=[#8] Row: 1318 Binding affinity towards Opioid receptor mu 1 in guinea pig brain membranes using [3H]DAMGO as radioligand * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]-2:1)-[#6]-[#6]-[#6]-[#6]-3 Row: 1319 Displacement of [3H]RTX from human TRPV1 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 15 [#6]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#7,#6]:[#6]:2 Row: 1320 Binding affinity to human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 24 [#6,#7]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6](:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#17] Row: 1321 Inhibition of Staphylococcus aureus DHFR using dihydrofolate as substrate preincubated for 10 mins followed by substrate addition by spectrophotometric analysis in presence of NADPH * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 13 [#7,#6]-[#6]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#6,#8]:,-1):[#7,#6]:[#6](:[#7,#6]:[#6]:2-[#7,#6])-[#7,#8] Row: 1322 Inhibition of human recombinant NET expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 7 [#17,#6,#9]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 1323 Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 9 [#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-1-[#6](=,-[#8,#6])-,=[#7,#6,#8] Row: 1324 Binding affinity to the leukotriene receptor (LTD4) from guinea pig lung parenchymal membranes assayed using [3H]LTD4 as radioligand * postgresql://localhost/chembl_23 Mean nAts 41.8, mcs nAts: 34 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]):[#6]:[#6]:[#6]:1-[#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]):[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#6,#7]-,=[#7,#6,#8] Row: 1325 Inhibition of human recombinant DAT expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 7 [#17,#6,#9]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 1326 Inhibition of human recombinant SERT expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 7 [#17,#6,#9]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 1327 Displacement of [3H]raclopride from human D2 dopamine receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 10 [#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#6]-,:1):[#16,#7]:[#6](:[#7,#8,#16]:2)-,=[#7,#8] Row: 1328 Inhibition of [3H]citalopram uptake at human 5HTT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 21 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6,#8,#9])-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#7]-[#6]-[#6]-[#8]-1 Row: 1329 Binding inhibition of hepatitis C virus NS3.4A protease 2 using p-nitroaniline assay (pNA) * postgresql://localhost/chembl_23 Mean nAts 53.4, mcs nAts: 44 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8]-[#6]-[#6,#7]2:,-[#6]:,-[#6]:,-[#6]:[#6]:,-[#6]:,-2)-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6]:[#6]:[#7]:1)-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#6](=,-[#8,#6])-,=[#8,#6] Row: 1330 Inhibition of MBP-fused human recombinant FAAH with truncated N-terminal transmembrane domain expressed in Escherichia coli T7 using D-AMC substrate measured over 40 mins by fluorescence based assay * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 26 [#8]=[#6](-[#7,#8]-[#6])-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6](-[#6]2=[#7]-[#8]-[#6](-[#6]-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#16]:1 Row: 1331 Displacement of [3H]CGS21680 from human adenosine A2A receptor * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 15 [#7]-[#6]1:[#7]:[#6](-[#6,#7]-[#7,#6]-,=[#6,#8]):[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1332 Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 15 [#6]-[#7]-[#6]1:[#6,#7]:[#6]:[#6](:[#6](:[#7]:1)-[#17,#6,#7])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6,#7]:1 Row: 1333 Inhibition of 5 nM [3H]DTBZ binding to Vesicular Monoamine Transporter (VAMT2) of rat vesicle membranes * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 9 [#6]-[#6]=,-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 1334 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced activity by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 35.1, mcs nAts: 26 [#8,#6,#7,#16]-[#6]1:[#7,#6]:[#6](-[#6]):[#6,#7]:[#6,#7]:[#6]:1-[#6]-[#7]-[#6](=[#8])-[#6](-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 1335 Inhibition of 3 nM [3H]-MLA binding to Nicotinic acetylcholine receptor alpha7 of rat brain membranes * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 9 [#6]-[#6]=,-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 1336 Binding affinity to human CXCR2 receptor transfected in CHO cell * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 26 [#6]1:[#6]:[#6](-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#8]-[#6]-[#6]):[#7]:[#6](:[#7]:1)-[#7]1:[#6]:[#7,#6]:[#6,#7]:[#7,#6]:1 Row: 1337 Binding affinity towards human opioid receptor mu 1 was determined by using [3H]diprenorphine as radioligand expressed in Chinese hamster ovary (CHO) cells * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 27 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](-,=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#17,#6,#7,#9] Row: 1338 Displacement of [3H]DAMGO from rat mu opioid receptor expressed in mouse HN9.10 cell membranes * postgresql://localhost/chembl_23 Mean nAts 72.5, mcs nAts: 14 [#8,#6,#7]=,-[#6,#7,#8]-[#7,#6]-[#6,#7]-[#6,#7]-[#6](=,-[#8,#6,#7])-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1339 Displacement of [3H]Histamine from human histamine H4 receptor expressed in Sf9 cells co-expressing Galphai/o and Gbeta1gamma * postgresql://localhost/chembl_23 Mean nAts 22.7, mcs nAts: 11 [#7]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6]:2 Row: 1340 Binding affinity to mouse GAT1 expressed in HEK293 cells membranes using LC-ESI-MS/MS analysis by [2H10]NO711 binding inhibition assay * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6]-[#6]-[#7,#6]-[#7,#6]=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1341 Displacement of [125I]Tyr14-nociceptin from human NOP receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 15 [#6,#7]-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 1342 BindingDB_Patents: Enzyme Assay. Inhibition constant of the compound against Thrombin * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 31 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1343 BindingDB_Patents: Enzyme Assay. Inhibition constant of the compound against Trypsin * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 31 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1344 Binding affinity against dopamine receptor D2 on rat striatum using [3H]spiperone as radioligand. * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 19 [#6]1-,=[#6]-[#6]-[#8]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]-[#6]-[#6]-[#6]-[#6])-[#9] Row: 1345 BindingDB_Patents: Enzyme Assay. Inhibition constant of the compound against Plasminogen activator urokinase * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 31 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1346 BindingDB_Patents: Enzyme Assay. Inhibition constant of the compound against Plasmin * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 31 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1 Row: 1347 Displacement of [125I]Tyr14-nociceptin from ORL1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 16 [#6]-[#7,#6]1-,=[#6]-[#6]-,=[#6,#7](-[#6]-[#6]-1)-[#6]1:,-[#6]:,-[#7,#6]:[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#7,#6]:2 Row: 1348 Inhibition of human recombinant SPHK1 expressed in baculovirus-infected Sf9 cells * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 4 [#6,#7]-,=[#6]-[#6]-[#6,#7] Row: 1349 Displacement of human TARC from recombinant CCR4 receptor expressed in CHO cells co-expressing Galpha16 by FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 37.4, mcs nAts: 29 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6,#16]-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1350 Displacement of [3H]diprenorphine from cloned human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 16 [#6]1:[#6]:[#6](-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#7]:2)-[#6](-[#7])=[#8]):[#6]:[#6]:[#6]:1 Row: 1351 Displacement of [3H]DAMGO from mu opioid receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 16 [#6]-[#7,#6]1-,=[#6]-[#6]-,=[#6,#7](-[#6]-[#6]-1)-[#6]1:,-[#6]:,-[#7,#6]:[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#7,#6]:2 Row: 1352 Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4BL (PDE4BL) in baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-1)-[#6] Row: 1353 Displacement of [3H]U-69593 from kappa opioid receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 16 [#6]-[#7,#6]1-,=[#6]-[#6]-,=[#6,#7](-[#6]-[#6]-1)-[#6]1:,-[#6]:,-[#7,#6]:[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#7,#6]:2 Row: 1354 Inhibition of [3H]cAMP binding to recombinant human Phosphodiesterase 4AL (PDE4AL) in baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6]1-[#6]-[#6]-[#6]-[#6]-1)-[#6] Row: 1355 Displacement of [3H]DDPDE from delta opioid receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 16 [#6]-[#7,#6]1-,=[#6]-[#6]-,=[#6,#7](-[#6]-[#6]-1)-[#6]1:,-[#6]:,-[#7,#6]:[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#7,#6]:2 Row: 1356 Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 23 [#6]-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1-[#7]-[#6]1:,=[#7,#6]:,-[#7,#6,#8,#16]:,-[#6,#7,#8]:,-[#16,#6,#7,#8]:,-1 Row: 1357 Displacement of [3H](+)-pentazocine from rat brain sigma1 receptor * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 15 [#8]-[#6]12-[#6]3-[#6]4-[#6]-[#6]5-[#6]-3-[#6](-[#7]-1-[#6]-[#6])-[#6]1-[#6]-2-[#6]-4-[#6]-1-5 Row: 1358 Binding affinity towards human gonadotropin-releasing hormone receptor (GNRHR) using GnRH peptide as radioligand * postgresql://localhost/chembl_23 Mean nAts 37.5, mcs nAts: 33 [#7]-[#6](-[#6]-[#7]1:[#6](=[#8]):[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#17,#6,#9]):[#6]:[#7](:[#6]:1=[#8])-[#6]-[#6]1:[#6](-[#9,#16]):[#6]:[#6]:[#6]:[#6]:1-[#9,#6,#16,#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1359 Binding affinity to human MCH1R * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 26 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7]:1)-[#6]1:[#6]:[#8,#7]:[#6]2:[#6](:[#6]:1=[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#6,#8] Row: 1360 Inhibition of [3H]-CGS- 21680 binding to human Adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 21 [#8,#7]-[#6]-[#6]1-[#8,#6]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]-[#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1361 Displacement of [125I]alpha-bungarotoxin from alpha7 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#6]-[#6]-[#7]1-[#6]-[#6]2-[#6]-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#7]:1-[#6]-2)=[#8] Row: 1362 Displacement of (+/-)-[3H]epibatidine from alpha4beta2 nicotinic acetylcholine receptor in rat brain cortex membrane homogenates * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#6]-[#6]-[#7]1-[#6]-[#6]2-[#6]-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#7]:1-[#6]-2)=[#8] Row: 1363 Inhibition of PTP1B * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 14 [#8]=[#6](-[#8])-[#6]-[#8]-[#6]1:[#6](-[#35,#6]):[#6]:[#16]:[#6]:1-[#6](=[#8])-[#8] Row: 1364 Displacement of [3H]diprenorphine from cloned human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 16 [#6]1:[#6]:[#6](-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#7]:2)-[#6](-[#7])=[#8]):[#6]:[#6]:[#6]:1 Row: 1365 Displacement of (+)-[3H]pentazocine from sigma 1 receptor in guinea pig brain membrane homogenates after 90 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 14 [#8]-[#6]1-[#6]-[#6,#7]-[#6,#7]-[#6]-[#6]-1-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6] Row: 1366 Displacement of [3H]CP55,940 from human recombinant CB2 receptor expressed in HEK293 cell membranes after 90 mins * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 11 [#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1=,-[#8] Row: 1367 Inhibition of human CA2 pre-incubated for 15 mins by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 12.9, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1368 Inhibition of human CA1 pre-incubated for 15 mins by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 12.9, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1369 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cells after 1 hr by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 24 [#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1370 Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells after 1 hr by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 24 [#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1371 Displacement of [3H]bremazocine from cloned human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 16 [#6]1:[#6]:[#6](-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#7]:2)-[#6](-[#7])=[#8]):[#6]:[#6]:[#6]:1 Row: 1372 Displacement of [125I]CXCL10 from CXCR3 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 17 [#6]1-,:[#6]-,:[#6]-,:[#6]=,-,:[#6](-,=,:[#6]-,:1)-[#6]-[#7](-[#6])(-[#6])-[#6]-[#6]1:,=[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1373 Displacement of [3H]CP55,940 from human recombinant CB1 receptor expressed in HEK293 cell membranes after 90 mins * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 11 [#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1=,-[#8] Row: 1374 Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley rat striatum homogenate after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 16 [#8]=[#6]1:[#8]:[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#6]:[#6]:1 Row: 1375 Inhibition of human ICE * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 18 [#6]-[#6](-[#6])-[#6](-[#6]-[#6](=,-[#8,#7])-,=[#7,#8])-[#6](=[#8])-[#7]-[#6](-[#6]=[#8])-[#6]-[#6](=[#8])-[#8] Row: 1376 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 16 [#6,#16]-[#6]1:[#16]:[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1377 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in buculovirus system by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 16 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](:[#16]:1)-[#6] Row: 1378 Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#6]-[#6,#7]1=,-[#7]-,=[#7,#6](-[#6](=[#8])-[#7,#6])-[#6]-[#6]-1-[#6] Row: 1379 Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#6]-[#6,#7]1=,-[#7]-,=[#7,#6](-[#6](=[#8])-[#7,#6])-[#6]-[#6]-1-[#6] Row: 1380 In vitro inhibition of [3H]RTX binding to rat TRPV1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 16 [#6,#7,#8]-[#6,#7,#8]-,=[#6,#7]-,=[#7,#6,#8]-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 1381 Displacement of [3H]citalopram from human recombinant SERT expressed in LLCPK cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6]-,:[#7]-2 Row: 1382 Displacement of [3H]-dofetilide from human ERG by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6]-,:[#7]-2 Row: 1383 Inhibition of mouse recombinant SPHK2 expressed in baculovirus-infected Sf9 cells * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 4 [#6,#7]-,=[#6]-[#6]-[#6,#7] Row: 1384 Inhibition of muscarinic M2 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 1385 Displacement of [125I]NDP-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 29 [#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#7])-[#6](-[#6])-[#6] Row: 1386 Displacement of [3H]CP-55940 from CB1 receptor in rat brain * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 28 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1 Row: 1387 Displacement of [125I]NDP-MSH from human MC4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 42.7, mcs nAts: 31 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6](-[#7,#6])-[#6,#7](-[#6])-[#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6]1-[#6]-[#7](-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1388 Displacement of [3H]CP-55940 from human cloned CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 28 [#6]-[#6]-[#6]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1 Row: 1389 Displacement of [3H]Ketanserin from 5HT2A receptor in Sprague-Dawley rat brain cortex homogenate after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 16 [#8]=[#6]1:[#8]:[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#6]:[#6]:1 Row: 1390 Inhibition constant against human carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:[#6,#7]:[#6,#8]:[#6]:[#6]:[#6,#7]:1 Row: 1391 Inhibition constant against human carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:[#6,#7]:[#6,#8]:[#6]:[#6]:[#6,#7]:1 Row: 1392 Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 20 [#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#8,#6,#7]-[#6](:[#6]:[#6]:[#6]1:[#7,#6]:[#6](-[#6](=,-[#8,#7])-,=[#7,#8]):[#6,#7]:[#6,#7]:1):[#6] Row: 1393 Inhibition constant against human carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 35.5, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:[#6,#7]:[#6,#8]:[#6]:[#6]:[#6,#7]:1 Row: 1394 Displacement of [3H]spiperone from human dopamine D3 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1395 Displacement of [3H]spiperone from human dopamine D2 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1396 Displacement of [3H]SCH23390 from human dopamine D1 receptor expressed in HEK293 cell membranes by liquid scintillation counting based competition binding assay * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1397 Inhibitory activity against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 41.5, mcs nAts: 31 [#7,#6,#8]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6](=[#8])-[#7](-[#6]-[#6])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8])-[#8] Row: 1398 Inhibition of chymotrypsin-like activity of human 20S proteasome beta 5 subunit assessed as Suc-Leu-Leu-Val-Tyr-AMC substrate hydrolysis after 10 mins by fluorometric analysis * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 12 [#8]=[#6](-[#6]-[#7]1:,-[#6]:,=[#6]:,-[#6]:,-[#6]:,-[#6]:,-1=[#8])-[#7]-[#6] Row: 1399 Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 24 [#6]-[#6]1:[#7]:[#7]:[#6](:[#7]:1-[#6])-[#16]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#8]-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#35] Row: 1400 Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 24 [#6]-[#6]1:[#7]:[#7]:[#6](:[#7]:1-[#6])-[#16]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#8]-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#35] Row: 1401 Inhibition of human MAOB expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 8 [#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#17] Row: 1402 Inhibition of human MAOA expressed in baculovirus-infected BTI insect cells assessed as H2O2 production by resorufin dye based fluorimetric method * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 8 [#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#17] Row: 1403 Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain membranes after 150 mins by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1404 Displacement of [3H]8-OH-DPAT from human 5-HT1A expressed in human HeLa cells after 30 mins * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6,#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1405 Inhibition of human plasma kallikrein using H-D-Pro-Phe-Arg-pNA as substrate * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 30 [#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7,#6]:[#6,#7]:[#6,#7](:[#8,#6,#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1406 In vitro binding affinity to vesamicol receptor using [3H]vesamicol. * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 13 [#8]-[#6]1-[#6]-[#6]-,:[#6,#7]-[#6]-[#6]-1-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 1407 Inhibition of human coagulation factor 11a using p-nitroaniline as substrate assessed as substrate hydrolysis by spectrophotometrically * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 30 [#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6,#7]:[#7,#6]:[#6,#7](:[#7,#6,#8]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1408 Displacement of [3H]nisoxetine from NET in Sprague-Dawley rat cortical tissue * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 7 [#6]1:,-[#6]:,-[#6,#7]:,-[#6,#7](:,-[#6]:,-[#6,#7]:,-1)-[#6,#17] Row: 1409 Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in mouse LMtk- cells * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 20 [#9,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6,#7]:[#6]:2)-,=[#9,#8])-[#6]-[#7]-[#6](=[#7]-1)-[#6] Row: 1410 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane without cerebellum * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 8 [#6,#8]-[#7,#6]1-,=,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6,#7,#8] Row: 1411 Inhibitory activity against thymidine monophosphate kinase (TMPK) in Mycobacterium tuberculosis * postgresql://localhost/chembl_23 Mean nAts 19.9, mcs nAts: 16 [#6,#9]-[#6]1:[#6]:[#7](-[#6]2-[#8,#6]-[#6](-[#6,#7,#8,#9])-[#6](-[#6,#8]-2)-[#7,#6,#8]):[#6](:[#7]:[#6]:1=[#8])=[#8] Row: 1412 Inhibition of human N-terminal GST-tagged EGFR catalytic domain (669 to 1210 residues) expressed in baculovirus expression system using Fl-EEPLYWSFPAKKK-CONH2 peptide substrate preincubated for 30 mins followed by substrate addition measured after 30 mins by Caliper Mobility Shift Assay * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#7]-[#6](=[#8])-[#6]1:[#6](-[#7]):[#6]:[#6]:[#7]:[#6]:1=[#8] Row: 1413 Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 28 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1-[#6]-[#6]-[#6]2(-[#6]34-[#6]-1-[#8]-[#6]1:[#6]-3:[#6](-[#6]-[#6]-2-[#7](-[#6]-[#6]-4)-[#6]-[#6]2-[#6]-[#6]-2):[#6]:[#6]:[#6]:1-[#8])-[#8] Row: 1414 Binding affinity to N-terminal 6xHis-tagged human cloned XIAP BIR3 domain expressed in Escherichia coli BL21 (DE3) by fluorescence polarization-based competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 9 [#6]-[#6,#7]-[#7,#6]-[#6,#7]1-,:[#6]-,:[#6]-,:[#6,#8]-,:[#7,#6]-,:[#6]-,:1 Row: 1415 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHO cell membranes after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6]-[#6,#7]=,-[#6])-[#8]-[#6] Row: 1416 Displacement of [3H]CP55940 from human CB1 receptor expressed in CHO cell membranes after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6]-[#6,#7]=,-[#6])-[#8]-[#6] Row: 1417 Displacement of [3H]nemonapride from human cloned dopamine D4.2 receptor * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 26 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6,#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1):[#6]:[#6]:[#6]:[#6] Row: 1418 Inhibition of [3H]Nalpha-methylhistamine binding to H3 receptor in guinea-pig brain membranes * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 11 [#16,#6,#7,#8]-,=[#7,#6,#16]-[#6,#7]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 1419 Displacement of [3H]DPDPE from human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 28 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1-[#6]-[#6]-[#6]2(-[#6]34-[#6]-1-[#8]-[#6]1:[#6]-3:[#6](-[#6]-[#6]-2-[#7](-[#6]-[#6]-4)-[#6]-[#6]2-[#6]-[#6]-2):[#6]:[#6]:[#6]:1-[#8])-[#8] Row: 1420 Displacement of [3H]LSD from human recombinant 5HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 20 [#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6]-[#7]-2-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1421 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 28 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]-[#6]1-[#6]-[#6]-[#6]2(-[#6]34-[#6]-1-[#8]-[#6]1:[#6]-3:[#6](-[#6]-[#6]-2-[#7](-[#6]-[#6]-4)-[#6]-[#6]2-[#6]-[#6]-2):[#6]:[#6]:[#6]:1-[#8])-[#8] Row: 1422 Inhibition of human liver MAOA expressed in yeast * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 27 [#8]=[#6]1-[#8]-[#6](-[#6]-[#7]2:[#6]:[#6]:[#7]:[#7]:2)-[#6]-[#7]-1-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1)-[#6]-,=[#8,#6] Row: 1423 Binding affinity to human bradykinin B1 receptor * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 28 [#6,#7,#8]-,=[#6](=,-[#8,#7])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:1 Row: 1424 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenate after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 16 [#8]=[#6]1:[#8]:[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#6,#7]):[#6]:[#6]:[#6]:2:[#6]:[#6]:1 Row: 1425 Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins followed by PGD2 challenge measured after 60 mins by chemiluminescence assay * postgresql://localhost/chembl_23 Mean nAts 38.8, mcs nAts: 32 [#6]-[#6]1(-[#6])-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#7]:[#6](:[#7](:[#6]:3=[#8])-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#8])=[#7]-[#8]-1 Row: 1426 Inhibition of human ERG * postgresql://localhost/chembl_23 Mean nAts 36.9, mcs nAts: 19 [#8]=[#6](-[#6]1-[#6]-[#7,#6]-[#6]-[#6,#7]-[#6]-1)-[#7](-[#6]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-1 Row: 1427 Binding affinity to human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 17 [#6]-[#16]-[#6](=[#16])-[#7]1-[#6]-[#6]-[#6]-[#16]-[#6]-1=[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1428 Binding affinity to human adenosine A2A receptor * postgresql://localhost/chembl_23 Mean nAts 20.9, mcs nAts: 11 [#7,#6,#8]-,=[#7,#6,#8]-[#6]1:[#7,#6]:[#6](-[#6](=,-[#8,#9])-[#6,#9]):[#6,#7]:[#6]:[#7,#6]:1 Row: 1429 Binding affinity to human adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 20.9, mcs nAts: 11 [#7,#6,#8]-,=[#7,#6,#8]-[#6]1:[#7,#6]:[#6](-[#6](=,-[#8,#9])-[#6,#9]):[#6,#7]:[#6]:[#7,#6]:1 Row: 1430 Binding affinity against Hepatitis C virus NS3 protease * postgresql://localhost/chembl_23 Mean nAts 61.7, mcs nAts: 55 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6](=[#8])-[#8])-[#7]-[#6](=[#8])-[#6](-[#7])-[#6]-[#6](=[#8])-[#8])-[#6](-[#6])-[#6])-[#6](-[#6])-[#6])-[#5]1-[#8]-[#6]2-[#6]-[#6]3-[#6]-[#6](-[#6]-2(-[#8]-1)-[#6])-[#6]-3(-[#6])-[#6] Row: 1431 Displacement of [125I]triptorelin from human GnRHR expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 107.7, mcs nAts: 49 [#6]-[#6]-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7]:[#6]2:[#7](-[#6]-[#6]3:[#6](-[#9]):[#6]:[#6]:[#6]:[#6]:3-[#9]):[#6]:[#6](:[#6](:[#7]:2:[#6]:1-[#6]-[#7](-[#6]-[#6](=,-[#8,#7])-,=[#7,#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#6](=[#8])-[#8]-[#6]-[#6] Row: 1432 Inhibition of [3H]dopamine reuptake at human DAT expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 21 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6,#8,#9])-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#7]-[#6]-[#6]-[#8]-1 Row: 1433 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 min by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1434 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 min by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1435 Inhibition of tumor-associated human carbonic anhydrase 9 preincubated for 15 min by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1436 Inhibition of tumor-associated human carbonic anhydrase 12 preincubated for 15 min by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6] Row: 1437 Inhibition of human carbonic anhydrase 1 after 15 mins by CO2 hydrase assay at pH 7.5 * postgresql://localhost/chembl_23 Mean nAts 8.5, mcs nAts: 0 Row: 1438 Inhibition of human carbonic anhydrase 2 after 15 mins by CO2 hydrase assay at pH 7.5 * postgresql://localhost/chembl_23 Mean nAts 8.5, mcs nAts: 0 Row: 1439 Binding affinity towards 5-hydroxytryptamine 1C receptor from frontal cortical regions of male Sprague-Dawley rat homogenates, using [3H]mesulergine as radioligand * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 9 [#6,#7]-[#6,#8]-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1440 Inhibitory activity against human DPP4 * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 18 [#7,#6]-[#6]-[#16]-[#6](-[#6])(-[#6])-[#6](-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6](-[#9])-[#6]-[#6]-1-[#6]#[#7] Row: 1441 Displacement of [3H]CP-55940 from human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 13 [#6,#7,#8]-,=[#6](-,=[#6,#7,#8])-[#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-,:[#8,#6]-,:[#6]-,:[#6]-,:[#6] Row: 1442 Inhibitory activity against human PNMT * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 11 [#53,#6,#7,#16,#17]-[#6]1:,-[#6,#7]:,-[#6]:,-[#6]2:[#6](:,-[#6]:,-1)-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6]-,:2 Row: 1443 Inhibition of human DPP4 using gly-pro-para-nitroanilide as substrate * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 18 [#7]#[#6]-[#6]1-[#6]-[#6]2-[#6]-[#6]-2-[#7]-1-[#6](=[#8])-[#6](-[#7])-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 1444 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membranes * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 16 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:2-[#6]-[#6]-[#6]-[#7,#6] Row: 1445 Inhibitory constant against human methionine aminopeptidase 2 * postgresql://localhost/chembl_23 Mean nAts 12.5, mcs nAts: 11 [#6,#7]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6,#7]:1)-[#6]1:[#6]:[#7]:[#7]:[#7]:1 Row: 1446 Displacement of [125I]AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 26 [#8]-[#6]1-[#6](-[#8])-[#6]2-[#6]-[#6]-2-[#6]-1-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#53,#17,#35] Row: 1447 Displacement of [3H]Arg8-vasopressin from human vasopressin V1a receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 23 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#6]-1-[#6]-[#6,#7,#8,#16]-,=[#7,#6,#8,#16] Row: 1448 Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 23 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#6]-1-[#6]-[#6,#7,#8,#16]-,=[#7,#6,#8,#16] Row: 1449 Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-1 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1450 Inhibition of human CA12 pre-incubated for 15 mins by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 12.9, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1451 Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 23 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#6]-1-[#6]-[#6,#7,#8,#16]-,=[#7,#6,#8,#16] Row: 1452 Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 16 [#7]-[#6]-[#6]-[#7]1:[#6]:[#6](-[#16](=[#8])(=[#8])-[#6]):[#6]2:[#6]:1:[#7,#6]:[#6]:[#6]:[#6]:2 Row: 1453 Inhibition of Drosophila melanogaster recombinant carbonic anhydrase-2 expressed in Escherichia coli BL21 (DE3) preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1454 Displacement of dofetilide from human ERG * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 25 [#6]1:[#6]:[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6](:[#7]:[#6]:[#7]:2)-[#8]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1455 Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#6,#8](:,-[#6](-,=[#8]):,-[#6]:,-[#6]):[#6]1:[#8,#6]:[#6](:[#6]:[#6]:[#6]:1)=,-[#8] Row: 1456 Inhibition of human carbonic anhydrase 2 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#6,#8](:,-[#6](-,=[#8]):,-[#6]:,-[#6]):[#6]1:[#8,#6]:[#6](:[#6]:[#6]:[#6]:1)=,-[#8] Row: 1457 Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#8,#6]-,=[#6]1:[#6,#8]:[#6](:,-[#8,#6]:,-[#6](=,-[#8,#6]):,-[#6]:,-,=[#6]):[#6,#8]:[#6]:[#6]:1 Row: 1458 Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 21 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]-[#6]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1459 Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#8,#6]-,=[#6]1:[#6,#8]:[#6](:,-[#8,#6]:,-[#6](=,-[#8,#6]):,-[#6]:,-,=[#6]):[#6,#8]:[#6]:[#6]:1 Row: 1460 Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#6,#8](:,-[#6](-,=[#8]):,-[#6]:,-[#6]):[#6]1:[#8,#6]:[#6](:[#6]:[#6]:[#6]:1)=,-[#8] Row: 1461 Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#6,#8]1:[#6]:[#6]:[#6](:[#6,#8]:[#6]:1-,=[#8]):,-[#8,#6]:,-[#6](:,-[#6]:,-,=[#6])=,-[#8,#6] Row: 1462 Inhibition of human CA9 pre-incubated for 15 mins by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 12.9, mcs nAts: 4 [#6,#7,#8,#16]-,=[#7,#6](-,=[#6,#8,#16])-[#6,#7,#16] Row: 1463 Displacement of [3H]DTBZ from VMAT2 in rat whole brain vesicles homogenate after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 16 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1464 In vitro intrinsic binding affinity at platelet activating factor receptor using rabbit platelet membranes * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 17 [#6,#7,#8]-[#7,#6]-[#6]-[#6,#8]-[#7,#6](-,:[#6]-,:[#6]-[#6,#8]-[#6](-[#8,#6]-,=[#6]:,-[#6]:,-[#6,#7]-[#6,#8])(-[#6])-[#6])-,:[#6] Row: 1465 Displacement of [3H]NECA from human recombinant adenosine A2A receptor expressed in Sf21 cells co-expressing GalphaS2, beta4, gamma2 * postgresql://localhost/chembl_23 Mean nAts 41.2, mcs nAts: 22 [#6,#8]-[#6]-[#6]#,-[#6,#7]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]1-[#6,#8]-[#6](-[#7,#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1466 Inhibition of monoamine reuptake at norepinephrine transporter * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 22 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1467 Inhibition of [3H]nisoxetine reuptake at human NET expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 21 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#17,#6,#8,#9])-[#8]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#7]-[#6]-[#6]-[#8]-1 Row: 1468 Displacement of [3H]dofetilide from human ERG * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 17 [#8,#6]-[#6,#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1469 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 17 [#6]1:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]-[#8,#6]-[#6,#8]):[#6]:[#6]:[#6]:[#6]:1 Row: 1470 Competitive binding affinity to Mcl-1 (unknown origin) using 5-FAM-Bid-BH3 peptide preincubated for 30 mins before 5-FAM-Bid-BH3 peptide addition and measured 20 mins after 5-FAM-Bid-BH3 peptide addition by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 27 [#6]-[#6](-[#6])(-[#6])-[#8]-[#6](=[#8])-[#7]1-[#6]-[#6](-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35,#6])-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6](=,-[#8,#6,#7])-,=[#8,#6,#7] Row: 1471 Inhibition of PDE10A (unknown origin) by IMAP assay * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 15 [#6]-[#6,#7]1:[#7]:[#6]:[#6](:[#16,#6]:1)-[#6]-[#7]-[#6]1:[#6,#7]:[#6](-[#17,#6,#7,#8]):[#7]:[#6]:[#7,#6]:1 Row: 1472 Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 25 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#6]-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1473 Displacement of [3H]CP-55940 from CB2 receptor in DBA/J2 mouse spleen * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 17 [#8]=[#6](-[#7]-[#6])-[#6]1:,-[#6]:,-[#7](-[#6]-[#6]):,-[#6]2:[#6](:,-[#6]:,-1=,-[#8]):[#6]:[#6]:[#6]:[#6,#7]:2 Row: 1474 Inhibition of human DPP4 expressed in Caco-2 cells * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 11 [#7,#6]-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6]#[#7] Row: 1475 Inhibition of dopamine D5 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 1476 Binding activity against human MCH-R1 * postgresql://localhost/chembl_23 Mean nAts 38.6, mcs nAts: 15 [#6]-[#7](-[#6]-[#7,#6])-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#17,#9]):[#6](:[#6]:[#6]:2:[#7]:1)-[#17,#6,#9] Row: 1477 Inhibition of human carbonic anhydrase 2 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1478 Binding affinity to human OX1R by radioligand displacement binding assay * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 21 [#6]-[#8]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6,#7]:[#6,#7]:1 Row: 1479 Binding affinity to human OX2R by radioligand displacement binding assay * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 21 [#6]-[#8]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6,#7]:[#6,#7]:1 Row: 1480 Binding affinity against cloned human 5-hydroxytryptamine 1D receptor * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7](-[#6](=[#8])-[#7,#6,#8])-[#6]-[#6]-2 Row: 1481 Inhibition constant against human carbonic anhydrase XII * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 11 [#7,#8,#9]-,=[#16,#6](=,-[#8,#9])(=,-[#8,#7,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7,#16] Row: 1482 Displacement of [3H]-N-methyl scopolamine from human cloned muscarinic M3 receptor * postgresql://localhost/chembl_23 Mean nAts 49.4, mcs nAts: 20 [#6]1:[#6]:[#6](-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6,#7]):[#6]:[#6]:[#6]:1-[#8] Row: 1483 Displacement of NO711 from mouse GAT1 expressed in HEK293 cells by LC-MS/MS analysis * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 15 [#7,#6]-[#6]-[#6,#7]-[#6](-[#7,#6])-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1484 Inhibition of human carbonic anhydrase 4 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1485 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 1 hr by beta scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 28 [#7]#[#6]-[#6]1:[#6](-[#7]):[#7]:[#6](:[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#16]-[#6]-[#6]1:[#6]:[#16,#8]:[#6](:[#7]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 1486 Binding affinity against cloned human 5-hydroxytryptamine 1B receptor * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 20 [#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7](-[#6](=[#8])-[#7,#6,#8])-[#6]-[#6]-2 Row: 1487 Binding affinity to human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 17 [#6]-[#16]-[#6](=[#16])-[#7]1-[#6]-[#6]-[#6]-[#16]-[#6]-1=[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1488 Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 after 10 mins * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 10 [#6,#7]-[#6,#7]-[#6](-[#15,#6](-,=[#8,#6])-,=[#8])-[#15](=,-[#8,#6])(-,=[#8])-[#8] Row: 1489 Inhibition of PTP1B (unknown origin)-mediated pNPP hydrolysis to 4-nitrophenol after 60 mins by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 26 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#8]-[#6]-[#6](=[#8])-[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8,#7]:1 Row: 1490 Binding affinity against thrombin in human plasma * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 19 [#6,#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7]-[#6](=,-[#8])-[#6]-[#6,#7]1:[#6]:[#6]:[#6,#7]:[#6](:[#7,#6]:1-,=[#8])-[#7] Row: 1491 Binding affinity to MC4R by membrane filtration assay * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 23 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6,#8]-[#6]1:[#6](-[#9,#17]):[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#7]=,-[#6](-,=[#7])-,=[#7]-[#6]-[#6] Row: 1492 Displacement of [3H]U69,593 from human recombinant opioid kappa receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 15 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-[#6,#7]-[#6])-[#8,#6] Row: 1493 Inhibition of MOCAc-Pro-Leu-Gly-Leu-A2p (Dnp)-Ala-Arg-NH2 binding to human matrix metalloprotease-9 (MMP-9) * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 15 [#6]-[#8]-[#15](=,-[#8,#6])(-,=[#6,#8])-[#7]1-[#6]-[#6]:,-[#6,#7]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#8] Row: 1494 Displacement of [3H]histamine displacement from human histamine H4 receptor expressed in SK-NM-C cells after 60 mins * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 12 [#7,#6]-[#6]1:[#7]:[#6]:[#6,#7]:[#6](:[#7,#6]:1)-[#7]-[#6]-[#6]-[#7]-[#6] Row: 1495 Displacement of 2-[125I]-Iodomelatonin from human MT1 receptor transfected in CHO cell membranes after 120 mins * postgresql://localhost/chembl_23 Mean nAts 20.9, mcs nAts: 15 [#6,#7,#8]-,=[#6](=,-[#8,#6,#16])-[#7]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#7]-,:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1496 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 22 [#6]-[#7]-[#6](=[#8])-[#6]1-[#16,#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6])-[#6](-[#6]-1-[#8])-[#8] Row: 1497 Competitive binding affinity to Bcl-2 (unknown origin) preincubated for 30 mins followed by 5-FAM-Bid-BH3 peptide addition measured after 20 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 39.1, mcs nAts: 25 [#8,#7]=,-[#6](-,=[#8,#7])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6](=[#8,#16])-[#7,#16]-[#6](-[#6]-1=[#8])-,=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1498 Inhibition of PIM1 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 16 [#8,#6]=,-[#6](-[#7]-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:1-[#7]1-[#6]-[#6]-[#6,#7]-[#6]-[#6]-1)-,=[#6,#8] Row: 1499 Inhibition of human carbonic anhydrase 6 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1500 Displacement of [3H]spiperone from dopaminergic D2 receptor in rat striatum homogenates after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 20 [#7,#6]-[#6,#8]-[#6]-[#6]-[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]1:[#7]:[#6,#8,#16]:[#6](:[#8,#6,#7,#16]:1):[#6]:[#6]:[#6]:[#6] Row: 1501 Displacement of [3H]CP-55940 from human cloned CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 22.1, mcs nAts: 17 [#6]-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#8] Row: 1502 Inhibition of human recombinant alpha-carbonic anhydrase 1 after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 7 [#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1503 Displacement of [3H]8-OH-DPAT from 5-HT1A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 20 [#7,#6]-[#6,#8]-[#6]-[#6]-[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]1:[#7]:[#6,#8,#16]:[#6](:[#8,#6,#7,#16]:1):[#6]:[#6]:[#6]:[#6] Row: 1504 Displacement of [3H]CGS21680 from human adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 15 [#7]-[#6]1:[#7]:[#6](-[#6,#7]-[#7,#6]-,=[#6,#8]):[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1505 Inhibition of PKC delta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 15 mins by spectrophotometry in presence of ATP * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 21 [#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#7]:3):[#7]:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1506 Binding affinity to Bacillus subtilis DNA polymerase3C * postgresql://localhost/chembl_23 Mean nAts 43.2, mcs nAts: 22 [#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#6](:[#6]2:[#6]:1:[#6,#7]:[#6](:[#6](:[#6]:2)-[#9])-[#7]1-[#6]-[#6]-[#7,#6,#8]-[#6]-[#6]-1)=[#8] Row: 1507 Displacement of [3H]ketanserine from 5-HT2A receptor in rat cerebral cortex homogenates after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 20 [#7,#6]-[#6,#8]-[#6]-[#6]-[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]1:[#7]:[#6,#8,#16]:[#6](:[#8,#6,#7,#16]:1):[#6]:[#6]:[#6]:[#6] Row: 1508 Displacement of [3H]DADLE from human recombinant opioid delta receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 15 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-[#6,#7]-[#6])-[#8,#6] Row: 1509 Inhibition of human recombinant FPPS expressed in Escherichia coli BL21 * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 10 [#6,#7]-[#6,#7]-[#6](-[#15,#6](-,=[#8,#6])-,=[#8])-[#15](=,-[#8,#6])(-,=[#8])-[#8] Row: 1510 Displacement of [3H]-(+)-pentazocine from sigma 1 receptor in guinea pig brain membranes incubated for 120 mins by scintillation counting method in the presence of pentazocine * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 12 [#6]1-,:[#6]-,:[#8,#6]-,:[#6,#8]-,:[#6](-,:[#8,#6]-,:1)-[#6]1:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6,#8]:,-1 Row: 1511 Displacement of [3H]-LSD from 5HT7 receptor (unknown origin) expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1512 Displacement of [3H]CP-55940 from CB1 receptor in Sprague-Dawley rat brain membrane * postgresql://localhost/chembl_23 Mean nAts 22.1, mcs nAts: 17 [#6]-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#8] Row: 1513 Inhibition of [125I]-NDP MSH binding to human Melanocortin 4 receptor * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 13 [#6,#8]-,=[#6,#16]-[#7]-[#6]-[#6](-,=[#6,#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 1514 Displacement of FITC-Bak-BH3 peptide from Mcl-1 (unknown origin) incubated for 1.5 hrs by FPA competition assay * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 12 [#8]=[#6](-[#8])-[#6]1:[#6,#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7,#6]:1 Row: 1515 Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 15 [#6]-[#6]-[#8]-[#6]1:[#7]:[#6]2:[#6,#16]:[#6]:[#16,#6]:[#6]:2:[#7]2:[#6]:1:[#6]:[#6]:[#6]:2 Row: 1516 Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 18 [#6]-[#7,#6]-[#6]1:[#7]:[#6](-,=[#6,#8]):[#7,#6]:[#6](:[#6,#7]:1):[#6]:[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1):[#7] Row: 1517 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6,#7]:[#6](:[#6,#7]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1518 Binding affinity to rat SERT * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 19 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#7]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7]-[#6]-2 Row: 1519 Displacement of [3H]DPDPE from human delta opioid receptor expressed in mouse HN9.10 cell membranes * postgresql://localhost/chembl_23 Mean nAts 73.3, mcs nAts: 14 [#8,#6,#7]=,-[#6,#7,#8]-[#7,#6]-[#6,#7]-[#6,#7]-[#6](=,-[#8,#6,#7])-[#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1520 Binding affinity to human FKBP51 by competitive fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 37.0, mcs nAts: 9 [#8,#6]=,-[#6]1-,:[#7,#6]-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:1)-[#16,#6,#8]=,-[#8,#6] Row: 1521 Displacement of [3H]U-69,593 from kappa opioid receptor in guinea pig cerebellum * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 29 [#6](-[#7,#6]-,=[#6,#8])-[#6]1-[#7,#8]-[#6]23-[#6]-[#6]-[#6]-1(-[#8])-[#6]1-[#8]-[#6]4:[#6]5-[#6]-2-1-[#6]-[#6]-[#7](-[#6]-3-[#6]-[#6]:5:[#6]:[#6]:[#6]:4-[#8])-[#6]-[#6]1-[#6]-[#6]-1 Row: 1522 Displacement of [3H]dofetilide from human ERG expressed in CHO cells by patch clamp method * postgresql://localhost/chembl_23 Mean nAts 38.9, mcs nAts: 25 [#6]-[#6]1-[#6]-[#7](-[#6](=[#8])-[#6]2-[#6]-[#7]-[#6]-[#6]-2-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#9])-[#9])-[#6]-[#6](-[#6]-1(-[#8,#6])-[#6,#8])-[#6] Row: 1523 Displacement of [3H] melanocortin-2 from human recombinant MC4 receptor expressed in CHO cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 38.9, mcs nAts: 25 [#6]-[#6]1-[#6]-[#7](-[#6](=[#8])-[#6]2-[#6]-[#7]-[#6]-[#6]-2-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#9])-[#9])-[#6]-[#6](-[#6]-1(-[#8,#6])-[#6,#8])-[#6] Row: 1524 Binding affinity against 5-hydroxytryptamine 4 receptor in guinea pig striatum using [3H]GR-113808 as radioligand * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 16 [#6,#7]-[#6]-[#7]-[#6](=[#8])-[#7]1:[#6](=[#8]):[#7](-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1525 Inhibition of DPP9 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 22 [#6]-[#6]1:[#7]:[#6]2:[#6](:[#6](:[#6]:1-[#6]-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6](=[#8])-[#7](-[#6]-2)-[#6] Row: 1526 Displacement of [3H]Dofetilide from human ERG * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 16 [#6]-[#7]-[#6]-[#6]-[#6]1:[#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6](-[#6])-[#6,#7] Row: 1527 Displacement of [3H]DPDPE from delta opioid receptor in mouse whole brain devoid of cerebellum * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 29 [#6](-[#7,#6]-,=[#6,#8])-[#6]1-[#7,#8]-[#6]23-[#6]-[#6]-[#6]-1(-[#8])-[#6]1-[#8]-[#6]4:[#6]5-[#6]-2-1-[#6]-[#6]-[#7](-[#6]-3-[#6]-[#6]:5:[#6]:[#6]:[#6]:4-[#8])-[#6]-[#6]1-[#6]-[#6]-1 Row: 1528 Displacement of [3H]DAMGO from mu opioid receptor in mouse whole brain devoid of cerebellum * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 29 [#6](-[#7,#6]-,=[#6,#8])-[#6]1-[#7,#8]-[#6]23-[#6]-[#6]-[#6]-1(-[#8])-[#6]1-[#8]-[#6]4:[#6]5-[#6]-2-1-[#6]-[#6]-[#7](-[#6]-3-[#6]-[#6]:5:[#6]:[#6]:[#6]:4-[#8])-[#6]-[#6]1-[#6]-[#6]-1 Row: 1529 Displacement of [125I]AB-MECA from human cloned adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 21 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#7,#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#6]:1:[#7]:[#7](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1530 Displacement of [3H]diprenorphine from human cloned delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 25 [#6]-[#6]1-[#6]-[#7](-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#8])-[#6]-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1531 Displacement of [3H]SCH23390 from human dopamine D1 receptor by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1)-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6] Row: 1532 Displacement of dofetilide from human ERG * postgresql://localhost/chembl_23 Mean nAts 22.7, mcs nAts: 16 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]1=[#6](-[#6]-[#6])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-1 Row: 1533 Inhibition of Akt1 in presence of 10 uM ATP * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#7]:[#6]:[#6](:[#6]:1)-[#8,#7,#16]-[#6]-[#6](-[#7,#6])-[#6,#7] Row: 1534 Inhibition of human DPP4 assessed as Gly-Pro-pNA cleavage preincubated for 40 mins followed by substrate addition * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 22 [#6]-[#6]1:[#7]:[#6]2:[#6](:[#6](:[#6]:1-[#6]-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6](=[#8])-[#7](-[#6]-2)-[#6] Row: 1535 Displacement of [125I]ABN from human dopamine D3 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 9 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6,#8] Row: 1536 Displacement of [3H]CCK8 from rat pancreas CCK1 receptor at by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 39.0, mcs nAts: 28 [#6,#7]-[#6]-[#6]-[#7]1-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](=[#8])-[#7](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6] Row: 1537 Displacement of [125I]ABN from human dopamine D2L receptor expressed in HEK293 cells after 60 mins by gamma counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.1, mcs nAts: 9 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6,#8] Row: 1538 Inhibition of DPP8 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 22 [#6]-[#6]1:[#7]:[#6]2:[#6](:[#6](:[#6]:1-[#6]-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-[#6](=[#8])-[#7](-[#6]-2)-[#6] Row: 1539 Inhibition of Nicotiana tabacum (tobacco) recombinant PPO assessed as protoporphyrinogen IX formation at room temperature by fluorimetric assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 22 [#6]-[#16]-[#6]1:[#7]:[#6]2:[#6]:[#6](-[#7]3:[#7]:[#6](-[#6]):[#7](:[#6]:3=[#8])-[#6](-[#9])-[#9]):[#6](:[#6]:[#6]:2:[#16]:1)-[#17,#9,#35] Row: 1540 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 11 [#6]-[#7,#6]1:[#6,#7]:[#6]2:[#6](-,=[#7,#8]):[#7]:[#6]:[#7]:[#6]:2:[#7]:1 Row: 1541 Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 11 [#6]-[#7,#6]1:[#6,#7]:[#6]2:[#6](-,=[#7,#8]):[#7]:[#6]:[#7]:[#6]:2:[#7]:1 Row: 1542 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 11 [#6]-[#7,#6]1:[#6,#7]:[#6]2:[#6](-,=[#7,#8]):[#7]:[#6]:[#7]:[#6]:2:[#7]:1 Row: 1543 Displacement of [3H]8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HeLa cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#6]-[#8]-[#6]2(-[#8]-1)-[#6]-[#6]-[#6,#7,#8,#16]-[#6]-[#6]-2 Row: 1544 Displacement of [3H]prazosin from human recombinant alpha1D adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#6]-[#8]-[#6]2(-[#8]-1)-[#6]-[#6]-[#6,#7,#8,#16]-[#6]-[#6]-2 Row: 1545 Displacement of [125I]hCGRP from human CGRP receptor expressed in HEK293 cells coexpressing RAMP1 * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 11 [#6]-[#7]1:,-[#6](=[#8]):,-[#7,#6]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6,#7]:2 Row: 1546 Displacement of [125I] PIC from I1 imidazoline receptor in rat PC12 cells after 45 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 16.2, mcs nAts: 7 [#6,#7,#8,#17]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 1547 Displacement of [3H]prazosin from human recombinant alpha1B adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#6]-[#8]-[#6]2(-[#8]-1)-[#6]-[#6]-[#6,#7,#8,#16]-[#6]-[#6]-2 Row: 1548 Inhibition of human B tryptase * postgresql://localhost/chembl_23 Mean nAts 39.9, mcs nAts: 35 [#8,#6,#7]-,=[#6](=,-[#8,#6,#7])-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=[#8])-[#6]1:[#7]:[#8]:[#6](:[#7]:1)-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17] Row: 1549 Displacement of N-[3H]alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 19 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#7]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7]-[#6]-2 Row: 1550 Inhibition of human recombinant carboxypeptidase B expressed in Pichia pastoris system * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 8 [#6,#7,#8]-,=[#6,#8,#16]-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 1551 Binding affinity against bovine trypsin * postgresql://localhost/chembl_23 Mean nAts 40.8, mcs nAts: 22 [#16,#6,#15]-[#7]-[#6](-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6] Row: 1552 Inhibitory activity against recombinant seprase * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 18 [#7,#6]-[#6]-[#16]-[#6](-[#6])(-[#6])-[#6](-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6](-[#9])-[#6]-[#6]-1-[#6]#[#7] Row: 1553 Displacement of [3H]diprenorphine from human cloned mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 35.8, mcs nAts: 25 [#6]-[#6]1-[#6]-[#7](-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#8])-[#6]-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1554 Inhibition of human recombinant TACE * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 30 [#6,#7]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]2(-[#6](-,=[#7,#8])=,-[#8,#7])-[#6]-[#6]-2-[#6](=[#8])-[#7]-[#8]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1555 Inhibitory activity against recombinant DPP2 * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 18 [#7,#6]-[#6]-[#16]-[#6](-[#6])(-[#6])-[#6](-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6](-[#9])-[#6]-[#6]-1-[#6]#[#7] Row: 1556 Displacement of [3H]DPCPX form adenosine A1 receptor in rat cortex membrane * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 21 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]-[#6]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1557 Displacement of [125I]3,5,3'-triiodo-L-thyronine His-tagged human recombinant TRbeta1 by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 20 [#8,#6,#7,#15]=,-[#15,#6]-[#6,#7,#8,#16]-[#6]1:[#6]:[#6](-[#53,#6,#8,#17,#35]):[#6](:[#6](:[#6]:1)-[#53,#6,#8,#17,#35])-[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#53,#6])-[#8] Row: 1558 Displacement of [125I]3,5,3'-triiodo-L-thyronine from His-tagged human recombinant TRalpha1 by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 20 [#8,#6,#7,#15]=,-[#15,#6]-[#6,#7,#8,#16]-[#6]1:[#6]:[#6](-[#53,#6,#8,#17,#35]):[#6](:[#6](:[#6]:1)-[#53,#6,#8,#17,#35])-[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#53,#6])-[#8] Row: 1559 Displacement of [3H]CP-55,940 from recombinant human CB1 receptor transfected in HEK cells * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 19 [#6,#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17,#9])-[#17,#9]):[#6](:[#6]:1-[#6])-[#7,#6] Row: 1560 BindingDB_Patents: Binding Assay. Binding assay of opioid receptor. * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 29 [#6]-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]2(-[#8])-[#6]3-[#6]-[#6]4:[#6]5-[#6]-2(-[#6](-[#6]-,=1=,-[#8,#7])-[#8]-[#6]:5:[#6](:[#6]:[#6]:4)-[#8])-[#6]-[#6]-[#7]-3-[#6]-[#6]1-[#6]-[#6]-1 Row: 1561 Displacement of [3H]AVP from human V1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#8,#9])-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#9] Row: 1562 Displacement of [3H]progesterone from human Progesterone receptor A * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 25 [#6]=[#6]-[#6]-[#6]1-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#6]2:[#6]-1:[#6]1:[#6](:[#6]:[#6]:2)-[#7]-[#6](-[#6]=[#6]-1-[#6])(-[#6])-[#6])-[#17,#6,#7,#8,#16] Row: 1563 Displacement of [3H]CP-55,940 from recombinant human CB2 receptor transfected in HEK cells * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 19 [#6,#7]-[#7]-[#6](=[#8])-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17,#9])-[#17,#9]):[#6](:[#6]:1-[#6])-[#7,#6] Row: 1564 Inhibition of human recombinant cytosolic carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7] Row: 1565 Binding affinity to recombinant human c-Src using KVEKIGEGTYGVVYK as substrate * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 20 [#17]-[#6](-[#6]-[#7]1:[#7]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1566 Displacement of [125I]angiotensin 2 from AT2 receptor in pig uterus membrane after 1.5 hrs by gamma counting * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 28 [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#16]:[#6](-[#6]-[#6](-[#6])-[#6]):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-,=[#7,#6,#8] Row: 1567 Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK-293EBNA cells after 90 mins by luminescence counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 14 [#6,#7]-[#6]-[#8,#6]-[#6,#7]1:[#7]:[#7,#6](-[#6,#8]-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1568 Displacement of [3H]Spiperone from human dopamine D2L receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 28 [#8]=[#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#7]-,:1):[#7,#6]:[#6](:[#6,#7]:[#6]:2)-[#8,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1569 Binding affinity to human 5HT2A receptor * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 28 [#8]=[#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#7]-,:1):[#7,#6]:[#6](:[#6,#7]:[#6]:2)-[#8,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1570 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 28 [#8]=[#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#7]-,:1):[#7,#6]:[#6](:[#6,#7]:[#6]:2)-[#8,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1571 Binding affinity to human CXCR3 receptor expressed in CHO membrane by ITAC-stimulated GTP gammaS assay * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 17 [#6]-[#6]1(-[#6])-[#6]2-[#6]-[#6]=[#6](-[#6]-1-[#6]-2)-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7] Row: 1572 Binding affinity to recombinant wild type human Abl using abitide as substrate * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 20 [#17]-[#6](-[#6]-[#7]1:[#7]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1573 Inhibition of [125I]-NDP MSH binding towards human melanocortin 4 receptor * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 36 [#8]=[#6](-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#7]-1 Row: 1574 Displacement of [3H]paroxetine from 5-HT transporter in Sprague-Dawley rat cortical membranes * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 17 [#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]-[#6])-[#6]-[#8]-2 Row: 1575 Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 19 [#7]-[#6]1:[#7,#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6,#7]:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1576 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 17 [#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#6]-[#6](-[#7](-[#6])-[#6]-[#6]-[#6])-[#6]-[#8]-2 Row: 1577 Inhibition of full-length recombinant PKC theta (unknown origin) using ERMRPRKRQGSVRRRV as substrate after 60 mins by scintillation counting analysis in presence of [gamma-33P]ATP * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 21 [#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#7]:3):[#7]:[#6](:[#6]:1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1578 Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]-[#6]-[#6]-[#16,#6]-[#6]-[#6]-[#7,#6]1-[#6](=[#8,#16])-[#8,#6,#16]-[#6]-[#6]-1-[#6]=[#6]-[#6](-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1579 Binding affinity to MCHR1 * postgresql://localhost/chembl_23 Mean nAts 38.6, mcs nAts: 34 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7](-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#6])-[#9])-[#6]1-[#6]-[#6]-[#6]2(-[#6]-1-[#6]-2)-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 1580 Displacement of [3H]-8-OH-DPAT from human 5-HT7 receptor expressed in CHOK1 cells after 30 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 11 [#6]-[#6]-[#6]-[#7,#6]-[#6,#7](-[#6]-[#6])-[#6]-[#6]:,-[#6,#7]-[#8,#6] Row: 1581 Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]-[#6]-[#6]-[#16,#6]-[#6]-[#6]-[#7,#6]1-[#6](=[#8,#16])-[#8,#6,#16]-[#6]-[#6]-1-[#6]=[#6]-[#6](-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1582 Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]-[#6]-[#6]-[#16,#6]-[#6]-[#6]-[#7,#6]1-[#6](=[#8,#16])-[#8,#6,#16]-[#6]-[#6]-1-[#6]=[#6]-[#6](-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1583 Inhibition of monoamine reuptake at dopamine transporter * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 22 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1584 Binding affinity to human PNMT expressed in Escherichia coli by radiochemical assay * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 14 [#7,#6,#8]-,=[#16](=[#8])(=,-[#8,#6,#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#7]-[#6]-[#6]-2 Row: 1585 Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 A123.7 cells after 20 hrs * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 15 [#8,#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1-[#7,#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 1586 Displacement of [3H]ZM241685 from human adenosine A2A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 23 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6,#7]:2):[#7]:[#6](:[#7]:1)-[#7]1:[#7]:[#6](-[#6]):[#6]:[#6]:1-[#6] Row: 1587 Inhibition of bovine carbonic anhydrase 3 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1588 Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]-[#6]-[#6]-[#16,#6]-[#6]-[#6]-[#7,#6]1-[#6](=[#8,#16])-[#8,#6,#16]-[#6]-[#6]-1-[#6]=[#6]-[#6](-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1589 Binding affinity towards human MCH-R1 evaluated by its ability to displace radioligand [125I]Tyr13]-MCH * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 18 [#6]-[#7](-[#6])-[#6]1-[#6]-[#6]-[#7](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6,#7])-,=[#6,#7,#8] Row: 1590 Binding affinity towards Adenosine A2A receptor of rat brain tissues using [3H]ZM-241385 as radioligand * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 19 [#7]-[#6]1:[#7]:[#6](-[#6]#[#6]-[#6]-[#8,#6,#7]):[#6]:[#7]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1591 Inhibition of human coagulation factor 11a after 10 to 120 mins * postgresql://localhost/chembl_23 Mean nAts 32.6, mcs nAts: 20 [#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6] Row: 1592 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 23 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:2):[#7]:[#6](:[#7]:1)-[#7]1:[#7]:[#6](-[#6]):[#6]:[#6]:1-[#6] Row: 1593 Binding affinity to human SERT * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 19 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6]2:[#6](:[#6]:[#7]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7]-[#6]-2 Row: 1594 Inhibition of Mycobacterium tuberculosis recombinant Rv3273 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 7 [#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1595 Displacement of [3H]-M-MPEP from rat mGLUR5 * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 27 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8]-[#7]=[#6](-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6](-[#6]-[#7,#6])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 1596 Displacement of radiolabeled iodo-MCH from human MCHR1 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 10 [#6]1:[#6]:[#6](-[#7,#8]-[#6]=,-[#8,#6]):[#6]:[#6]:[#6]:1-[#8,#7] Row: 1597 Inhibition of human serum BchE by Ellman's assay * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 18 [#6]-[#8]-[#6](=[#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#16]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1598 Inhibition of Mycobacterium tuberculosis recombinant Rv1284 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 7 [#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1599 Binding affinity to human CRTH2 receptor expressed in HEK293-EBNA cells by radioligand competition binding assay * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 22 [#6]-[#7](-[#6,#16](=,-[#8,#6])-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6]2:[#7](-[#6]-1):[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1:[#6]:2-[#6]-[#6](=[#8])-[#8] Row: 1600 Inhibition of cathepsin S * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 15 [#6,#7]-[#6,#7]-[#6](-[#7,#6])-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 1601 Inhibition of cathepsin K * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 15 [#6,#7]-[#6,#7]-[#6](-[#7,#6])-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 1602 BindingDB_Patents: In Vitro Assay. The effectiveness of compounds of the present invention as inhibitors of the coagulation factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. Such methods are known to one skilled in the art. * postgresql://localhost/chembl_23 Mean nAts 48.0, mcs nAts: 27 [#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]=[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1-[#6](=[#8])-[#7]-[#6]):[#6]:[#6]:[#6]:[#6]:2-[#8,#6,#7])-[#17] Row: 1603 Inhibition of human recombinant alpha-carbonic anhydrase 2 after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 7 [#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1604 BindingDB_Patents: Binding Assay. In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express each of the three human transporters. cDNAs containing the complete coding regions of each transporter were amplified by PCR from human brain libraries. The cDNAs contained in pCRII vectors were sequenced to verify their identity and then subcloned into an Epstein-Barr virus based expression plasmid (Shen et al., Gene 156:235-239 (1995), which is hereby incorporated by reference in its entirety). This plasmid containing the coding sequence for one of the human transporters was transfected into HEK93E cells. Successful transfection was verified by the ability of known reuptake blockers to inhibit the uptake of tritiated NE, DA or 5HT.For binding, cells were homogenized, centrifuged, and then resuspended in incubation buffer (5 mM Tris, 120 mM NaCl, 5 mM KCl, pH 7.4). Then, the appropriate radioligand was added. * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 12 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6] Row: 1605 Inhibition of human recombinant cytosolic carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7] Row: 1606 Inhibition of human carbonic anhydrase 14 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 1607 Inhibition of human recombinant mTOR by FRET assay * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 24 [#6]-[#6]-[#7,#8]-[#6](=[#8])-[#7,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#6](:[#7]:1)-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1 Row: 1608 Inhibition of cathepsin L * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 15 [#6,#7]-[#6,#7]-[#6](-[#7,#6])-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#7,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 1609 Inhibition constant for displacement of [3H]LTD4 on guinea pig lung parenchymal membranes * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 36 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6,#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6])-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#17,#35]):[#6]:[#7,#6]:2 Row: 1610 Binding affinity to human PSD95 domain PDZ1 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 42.5, mcs nAts: 28 [#6,#8]-,=[#6](-[#6,#7,#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6])-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7,#6])-[#6,#7]-[#6]-[#6](=,-[#8,#6,#7])-,=[#8,#6,#7])-[#6]-[#8,#6])-[#6](=,-[#8,#6])-[#8,#6,#7] Row: 1611 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7] Row: 1612 Displacement of europium-labeled NDP-alpha-MSH from human MC4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 37 [#6]-[#6]-[#6]1-[#6](=[#8])-[#7](-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6])-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1613 Displacement of europium-labeled NDP-alpha-MSH from human MC3R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 37 [#6]-[#6]-[#6]1-[#6](=[#8])-[#7](-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6])-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1614 Displacement of europium-labeled NDP-alpha-MSH from human MC1R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 37 [#6]-[#6]-[#6]1-[#6](=[#8])-[#7](-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6])-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1615 BindingDB_Patents: Binding Assay. In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express each of the three human transporters. cDNAs containing the complete coding regions of each transporter were amplified by PCR from human brain libraries. The cDNAs contained in pCRII vectors were sequenced to verify their identity and then subcloned into an Epstein-Barr virus based expression plasmid (Shen et al., Gene 156:235-239 (1995), which is hereby incorporated by reference in its entirety). This plasmid containing the coding sequence for one of the human transporters was transfected into HEK93E cells. Successful transfection was verified by the ability of known reuptake blockers to inhibit the uptake of tritiated NE, DA or 5HT.For binding, cells were homogenized, centrifuged, and then resuspended in incubation buffer (5 mM Tris, 120 mM NaCl, 5 mM KCl, pH 7.4). Then, the appropriate radioligand was added. * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 12 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6] Row: 1616 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7] Row: 1617 Inhibition of human recombinant carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 11 [#7,#8]-,=[#16](=[#8])(=,-[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#7] Row: 1618 BindingDB_Patents: Binding Assay. In order to evaluate the relative affinity of the various compounds at the NE, DA and 5HT transporters, HEK293E cell lines were developed to express each of the three human transporters. cDNAs containing the complete coding regions of each transporter were amplified by PCR from human brain libraries. The cDNAs contained in pCRII vectors were sequenced to verify their identity and then subcloned into an Epstein-Barr virus based expression plasmid (Shen et al., Gene 156:235-239 (1995), which is hereby incorporated by reference in its entirety). This plasmid containing the coding sequence for one of the human transporters was transfected into HEK93E cells. Successful transfection was verified by the ability of known reuptake blockers to inhibit the uptake of tritiated NE, DA or 5HT.For binding, cells were homogenized, centrifuged, and then resuspended in incubation buffer (5 mM Tris, 120 mM NaCl, 5 mM KCl, pH 7.4). Then, the appropriate radioligand was added. * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 12 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6] Row: 1619 Displacement of [3H]PK11195 from peripheral benzodiazepine receptor in Sprague-Dawley rat cerebral cortex membrane by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 17 [#6]-[#7](-[#6])-[#6](=[#8])-[#6]-[#6]1:[#6](-[#6]):[#7]:[#6]2:[#7]:1:[#6]:[#6]:[#6]:[#6]:2-[#17,#7] Row: 1620 Inhibition of human carbonic anhydrase 12 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 1621 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 9 [#6,#7]1:[#6]2:,-[#7,#16]:,-[#7,#6]:,-[#7,#6]:,-[#6,#7]-,:2:[#7,#6]:[#6,#7]:,-[#7,#6]:1 Row: 1622 Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 9 [#6,#7]1:[#6]2:,-[#7,#16]:,-[#7,#6]:,-[#7,#6]:,-[#6,#7]-,:2:[#7,#6]:[#6,#7]:,-[#7,#6]:1 Row: 1623 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 19.1, mcs nAts: 9 [#6,#7]1:[#6]2:,-[#7,#16]:,-[#7,#6]:,-[#7,#6]:,-[#6,#7]-,:2:[#7,#6]:[#6,#7]:,-[#7,#6]:1 Row: 1624 Inhibition of human carbonic anhydrase 9 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 1625 Inhibition constant for human immunodeficiency virus type 1 protease * postgresql://localhost/chembl_23 Mean nAts 40.6, mcs nAts: 9 [#6,#7,#8]-[#7,#6]-,=[#16,#6,#8]-[#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 1626 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 7 [#6,#7]1:[#7,#6]:[#6,#7]-,:[#6,#7]:[#6,#7](:[#7,#6]:1)-[#8,#6,#7,#16,#17] Row: 1627 Displacement of [3H]CP-55940 from CB1 receptor in DBA/J2 mouse brain * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 17 [#8]=[#6](-[#7]-[#6])-[#6]1:,-[#6]:,-[#7](-[#6]-[#6]):,-[#6]2:[#6](:,-[#6]:,-1=,-[#8]):[#6]:[#6]:[#6]:[#6,#7]:2 Row: 1628 Inhibition of human carbonic anhydrase 1 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 1629 Inhibition of human carbonic anhydrase 2 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 1630 Inhibition of human carbonic anhydrase 1 using 4-nitrophenylacetate as substrate after 3 mins using spectrophotometry by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1631 Displacement of [3H]spiperone from human D2L receptor expressed in FlpIn CHO cell membrane after 3 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 13 [#6]1(-[#6,#7]2:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-2)-[#17,#6])-,:[#6]-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6]-,:1 Row: 1632 Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins * postgresql://localhost/chembl_23 Mean nAts 21.4, mcs nAts: 17 [#6]-[#6]-[#8]-[#6](=[#8])-[#6]1=[#6](-[#6])-[#7]-[#6]-,:[#7,#6]-[#6]-1-[#6]1:[#6]:[#6]:[#16,#6,#8]:[#6,#8,#16]:1 Row: 1633 Inhibition of Candida albicans recombinant Nce103 beta-carbonic anhydrase after 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 7 [#8,#6,#7,#16]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1634 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO cells after 90 mins by scintillation counting in presence of 0.2% BSA * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 21 [#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 1635 Binding affinity towards human 5-hydroxytryptamine 7 receptor * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 7 [#6,#8,#16,#17,#35]-,=[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 1636 Compound was evaluated for inhibitory activity against Chymotrypsinogen * postgresql://localhost/chembl_23 Mean nAts 45.3, mcs nAts: 35 [#6]-[#7]-[#6](=[#8])-[#6](-[#9])(-[#9])-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6](-[#7]-[#6,#16](=,-[#8,#6])-,=[#8,#6])-[#6](-[#6])-[#6] Row: 1637 Inhibitory activity against alpha chymotrypsin from bovine pancreas. * postgresql://localhost/chembl_23 Mean nAts 40.2, mcs nAts: 33 [#7]-[#6]1:[#6]:[#7]:[#6](:[#7](:[#6]:1=[#8])-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#6]1:,=[#7,#8]:,-[#6]:,-[#6]:,-[#16,#7,#8]:,-1)-[#6]1:[#6]:[#6]:[#6,#7]:[#6,#7]:[#6]:1 Row: 1638 Tested for inhibition of [3H]-pCCK-8 specific binding to cholecystokinin type A receptor in guinea pig pancreatic membranes * postgresql://localhost/chembl_23 Mean nAts 39.3, mcs nAts: 19 [#6,#8]-,=[#6](-[#7,#6]-[#6](=[#8])-[#8,#7]-[#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-,:[#6]-,:[#6]-,:[#6])-[#6,#7](=,-[#8,#6])-[#7,#6]-[#6] Row: 1639 Binding affinity against Cysteinyl leukotriene D4 receptor from guinea pig lung was determined using [3H]LTD4 (0.2 nM) * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 13 [#6]-[#8,#6,#16]-[#6,#8]-[#6]1:[#6,#7]:[#6]:[#6]2:[#6](:[#7,#6]:1):[#6,#8]:[#6]:[#6]:[#6]:2 Row: 1640 Binding affinity at Opioid receptor kappa 1 by displacement of [3H]U-69593 in guinea pig brain membranes * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 11 [#6,#7]-[#7,#6]1-[#6]-[#6]-[#6]2(-[#6]-[#6]-1)-[#6]:,-[#6]-[#8,#6]-[#6,#8]-2 Row: 1641 Inhibition of HIV protease, measured by assaying the cleavage of a fluorescent peptide substrate using HPLC * postgresql://localhost/chembl_23 Mean nAts 46.5, mcs nAts: 39 [#7,#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]1-[#6](=[#8])-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2)-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8])-[#8] Row: 1642 Inhibition of recombinant HIV-1 protease measured by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 44.9, mcs nAts: 30 [#6]-[#7]1-[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6](-[#8])-[#6](-[#7](-[#16]-1(=[#8])=[#8])-[#6]-[#6])-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1643 Potency against human cytomegalovirus protease in HCMV pNA assay * postgresql://localhost/chembl_23 Mean nAts 37.0, mcs nAts: 21 [#6]-[#6]1-[#6](=[#8])-[#7](-[#6])-[#6]2-[#6]-1-[#7](-[#6]-[#6]-2)-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6,#16](=,-[#8,#6,#7])-,=[#7,#6,#8] Row: 1644 Inhibitory activity against human Carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#16]:,-[#6]:[#6]:,-1 Row: 1645 Inhibitory activity against human Carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6]-,=[#16,#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6,#16]:,-[#6]:[#6]:,-1 Row: 1646 Inhibitory constant against human Opioid receptor kappa using [3H]diprenorphine as radio ligand * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#7](-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1647 Displacement of [125I]-AB MECA from recombinant human adenosine A3 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 20 [#7]-[#6]1:[#7]:[#6](-[#6,#7,#17]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 1648 Inhibitory constant against DNA polymerases IIIC produced by Bacillus subtilis; (a) * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 12 [#6]-[#7]-[#6]1:[#7]:[#6](-[#8]):[#6]2:,-[#6](:[#7]:1):[#7]:[#6]:[#7]:2 Row: 1649 Binding affinity for adenosine A1 receptor by using as [3H]CPX (0.5 nM) radioligand in membranes from Chinese hamster ovary cells * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 36 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#8]-[#6]-[#6]3:[#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#7,#8]:[#8,#7]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 1650 Inhibition of monoamine reuptake at serotonin transporter * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 22 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1651 Inhibition of human DPP4 * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 16 [#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]1-[#6]-[#6,#8]-[#16,#6]-[#6]-1 Row: 1652 Displacement of [3H]DPDPE from cloned human delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 25 [#6,#16]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 1653 Displacement of [3H]DAMGO from cloned human mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 25 [#6,#16]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 1654 Displacement of [3H]U-69593 from cloned human kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 25 [#6,#16]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6]:[#6]:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 1655 Displacement of [3H]spiroperidol from cloned human dopamine receptor D3 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 15 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1656 Displacement of [3H]spiroperidol from cloned human dopamine receptor D2(long) expressed in rat C6 glioma cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 15 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1657 Displacement of [3H]MPEP from recombinant human mGlu5 receptor * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 16 [#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6,#7]:[#6](-[#6,#7,#17]):[#6,#7]:[#6](:[#7,#6]:2)-[#17,#6,#7]):[#6]:[#6]:[#7,#6]:1 Row: 1658 Inhibition of Cathepsin S * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 24 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6,#8])-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:1 Row: 1659 Inhibition of Cathepsin K * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 24 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6,#8])-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:1 Row: 1660 Inhibition of Cathepsin L * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 24 [#8]=[#6](-[#7]-[#6]-[#6]-[#7,#6,#8])-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:1 Row: 1661 Displacement of [3H]SCH 23990 from dopamine receptor D1 in porcine striatal membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1662 Displacement of [3H]spiperone from human dopamine receptor D2(long) in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1663 Displacement of [3H]spiperone from human dopamine receptor D2(short) in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1664 Displacement of [3H]spiperone from human dopamine receptor D3 in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1665 Displacement of [3H]spiperone from human dopamine receptor D4.4 in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1666 Displacement of [3H]ketanserin from 5HT2 receptor in porcine cortical membrane * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1:[#6,#7]:[#7,#6]2:[#6,#7]:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:2:[#7,#6]:1 Row: 1667 Binding affinity to human f10a * postgresql://localhost/chembl_23 Mean nAts 38.8, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6]#,-,=[#7,#8,#9]):[#6]:[#6]:1 Row: 1668 Inhibition of CDK1/Cyclin B * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 23 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6](:[#7]:[#6]:1-[#7])-[#7]-[#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7,#16] Row: 1669 Inhibition of CDK2/Cyclin E * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 23 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#6]1:[#6]:[#7]:[#6](:[#7]:[#6]:1-[#7])-[#7]-[#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#7,#16] Row: 1670 Displacement of [3H]diprenorphine binding from human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 29 [#6]-[#6](=[#8])-[#8]-[#6]1-[#6]-[#6](-[#6]-,=[#8])-[#6]2(-[#6](-[#6]-1=[#8])-[#6]1(-[#6]-[#6](-[#8]-[#6](-[#6]-1-[#6]-[#6]-2)=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])-[#6] Row: 1671 Displacement of [3H]CGP-12177 from beta-1 adrenergic receptor in Sprague-Dawley rat cortical membrane * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 16 [#6]-[#6]-[#6](-[#6])-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8] Row: 1672 Displacement of [3H]CGP12177 from human beta-2 adrenergic receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 16 [#6]-[#6]-[#6](-[#6])-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8] Row: 1673 Binding affinity to human AR * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 19 [#7]#[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6](=[#8])-[#6]2-[#6](-[#8])-[#6]-[#6]-[#7]-2-[#6]-1=[#8] Row: 1674 Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor expressed in Sf9 cells * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 16 [#7]-[#6]1(-[#6]-[#7,#6]-[#6]-[#6])-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-1 Row: 1675 Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor expressed in Sf9 cells * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 16 [#7]-[#6]1(-[#6]-[#7,#6]-[#6]-[#6])-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-1 Row: 1676 Displacement of [3H]spiroperidol from human recombinant Dopamine D2 long receptor * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 30 [#8]=[#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1)-[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1677 Displacement of [3H]methyllycaconitine from human alpha-7 in tsA201 cells coexpressed with 5HT3A receptor * postgresql://localhost/chembl_23 Mean nAts 50.4, mcs nAts: 18 [#6,#7](:,-[#6]1:,-[#7,#6]-[#6]-[#6]:,-[#7,#6](-[#6]-1):,-[#6,#7](:,-[#6]:,-[#6]):,-[#6]:,-[#6]):,-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1678 Displacement of [3H]methyllycaconitine from alpha7 nAChR in tsA201 cells co-expressed with Ric3 * postgresql://localhost/chembl_23 Mean nAts 50.4, mcs nAts: 18 [#6,#7](:,-[#6]1:,-[#7,#6]-[#6]-[#6]:,-[#7,#6](-[#6]-1):,-[#6,#7](:,-[#6]:,-[#6]):,-[#6]:,-[#6]):,-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1679 Displacement of [3H]GR65630 from human 5HT3A receptor in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 50.1, mcs nAts: 18 [#6,#7](:,-[#6]1:,-[#7,#6]-[#6]-[#6]:,-[#7,#6](-[#6]-1):,-[#6,#7](:,-[#6]:,-[#6]):,-[#6]:,-[#6]):,-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1680 Displacement of [125I]-[Nle,8,18 Tyr34]-hPTH(1-34) from human recombinant PTH1R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 27 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-,=[#6,#8])-[#6](=[#8])-[#7](-[#7]=[#6]-2-[#6]1-,:[#6]-,:[#6]-,:[#6,#8]-,:[#6]-,:[#6]-,:1)-[#6] Row: 1681 Displacement of [125I]-Tyr5, DLeu6, NMeLeu7, Pro-N-Et-GnRH from cloned rat GnRHR * postgresql://localhost/chembl_23 Mean nAts 42.2, mcs nAts: 26 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1):[#6](:[#6](:[#7]:2)-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6])-[#6](-[#6])-[#6]-[#7]-[#6]-[#6] Row: 1682 Inhibition of wild type HIV1 3B reverse transcriptase * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 17 [#7,#8,#16]-,=[#6]1:[#7,#6]:[#6](-[#6]-[#6]2:[#6](-[#9]):[#6]:[#6]:[#6]:[#6]:2-[#9]):[#6,#7]:[#6](:[#7]:1)=,-[#8,#7] Row: 1683 Inhibition of human 11-beta-HSD1 by SPA * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 14 [#6,#8]-,=[#6]1-[#16,#7]-,=[#6](-[#7]-[#6]2:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:2)=,-[#7,#16]-[#6]-1=,-[#8,#6] Row: 1684 Inhibition of human recombinant Src * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 22 [#6]-[#16]-[#6]1:[#7]:[#6](-[#7]-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#7,#6]:[#6]:2)-[#6]-[#6](-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1685 Inhibition of Escherichia coli beta-lactamase * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 12 [#8]-[#5](-[#8])-[#6]1:[#6,#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#16,#6]:1 Row: 1686 Inhibition of human recombinant thymidine phosphorylase expressed in V79 cells * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 10 [#6,#17]-[#6]1:[#6](-[#17,#6,#7,#9,#35]):[#7]:[#6](:[#7]:[#6]:1=[#8])=[#8] Row: 1687 Inhibition of human placental thymidine phosphorylase * postgresql://localhost/chembl_23 Mean nAts 14.8, mcs nAts: 10 [#6,#17]-[#6]1:[#6](-[#17,#6,#7,#9,#35]):[#7]:[#6](:[#7]:[#6]:1=[#8])=[#8] Row: 1688 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 15 [#7]-[#6]1-,:[#6]-,:[#6]-,=,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6]=,-[#8,#6,#7] Row: 1689 Inhibition of human 11-beta-HSD1 by SPA * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 24 [#8]=[#6](-[#6]1-,:[#6,#7]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:,-[#6](=[#8]):,-[#7,#6,#8,#16]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2 Row: 1690 Inhibition of human F10a by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 34.9, mcs nAts: 18 [#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-1=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6] Row: 1691 Inhibition of Mycobacterium tuberculosis H37RV InhA * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 20 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8])-[#8]-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:[#6,#7]:1 Row: 1692 Binding affinity to human cloned muscarinic M2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 13.3, mcs nAts: 3 [#6,#7]-[#7,#6,#8]-,=[#6,#7,#8] Row: 1693 Inhibition of human BACE1 * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 32 [#6,#8]-,=[#7,#6]1-[#6]-[#6](-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6]-[#7]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#7,#6](-[#6,#9])-[#6,#9])-[#7,#6]-[#6,#7]-1=,-[#8,#6] Row: 1694 Displacement of rhodamine-green labeled (2-(6-amino-3-imino-3H-xanthen-9-yl)-5-{[({4-[4-(4-Cl-3-hydroxyphenyl)-5-(4-pyridinyl)-1H-imidazol-2yl]phenyl}methyl)amino]carbonyl}benzoic acid from human p38alpha by fluorescence polarization * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 18 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6])-[#6,#7] Row: 1695 Binding affinity to purified Toxoplasma gondii adenosine kinase * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 26 [#8]-[#6]-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#6,#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#16]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-1-[#8])-[#8] Row: 1696 Displacement of [3H](+)-pentazocine from opioid sigma1 receptor in guinea pig brain homogenate * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 9 [#6,#8]-,=[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#9] Row: 1697 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 10 [#7,#6]#,-[#6]-[#6,#7]1:[#6](-,=[#6,#8]):[#6]:[#6]:[#7]:[#6]:1-,=[#7,#8] Row: 1698 Binding affinity to human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 15 [#6]-[#16,#6,#7,#8]-[#6]1:[#7]:[#6]:[#6](:[#7]:1-[#6])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1699 Binding affinity to human PSD95 domain PDZ2 expressed in Escherichia coli BL21-DE3 by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 42.5, mcs nAts: 28 [#6,#8]-,=[#6](-[#6,#7,#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#6])-[#7]-[#6](=[#8])-[#6](-[#7]-[#6](=[#8])-[#6](-[#7,#6])-[#6,#7]-[#6]-[#6](=,-[#8,#6,#7])-,=[#8,#6,#7])-[#6]-[#8,#6])-[#6](=,-[#8,#6])-[#8,#6,#7] Row: 1700 Displacement of [3H]CP-55940 from human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 16 [#6]-[#6]-[#7]1:[#6](=[#8]):[#7](-[#6](=[#8])-[#7]-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1701 Binding affinity to human 11beta HSD1 expressed in Escherichia coli by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 18.4, mcs nAts: 8 [#6]-[#6,#7]-[#6]1-,=[#16,#7]-[#6](-,=[#7,#8])=,-[#7,#6]-[#6,#16]-1 Row: 1702 Displacement of [3H]spiperone from human dopamine D3 receptor * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 16 [#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#7,#6]:1 Row: 1703 Displacement of [125I]PYY from human recombinant neuropeptide Y1 receptor expressed in CHO (NFAT-bla) cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)(-[#6])-[#6])-[#6](=[#8])-[#6,#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#7,#6])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7,#8]:,-[#6]:,-1 Row: 1704 Inhibition of corn earworm recombinant carboxypeptidase B expressed in Pichia pastoris system * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 8 [#6,#7,#8]-,=[#6,#8,#16]-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 1705 Inhibition of bovine carboxypeptidase A1 * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 8 [#6,#7,#8]-,=[#6,#8,#16]-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 1706 Displacement of human [125I]IL-8 from human CXCR1 * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 22 [#6]-[#6]-[#6](-[#7]-[#6]1:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#8])-[#6](=[#8])-[#7]):[#6](:[#6]:1=[#8])=[#8])-[#6] Row: 1707 Displacement of [3H]5HT from human 5HT transporter expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 15 [#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 1708 Displacement of [3H]noradrenaline from human NET receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 15 [#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 1709 Displacement of [3H]dopamine from human DAT receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 15 [#6]-[#7](-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#7]-[#6]-1 Row: 1710 Binding affinity to human prostaglandin D2 receptor by cell based radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 24 [#8]=[#6](-[#8])-[#6]-[#7]1:[#6]:[#6](-[#6]2-[#7]-[#16](=[#8])(=[#8])-[#6]3:[#6]-2:[#6]:[#6]:[#6]:[#6]:3):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1711 Inhibition of mashroom tyrosinase * postgresql://localhost/chembl_23 Mean nAts 14.3, mcs nAts: 2 [#8,#6,#7,#16]=,-[#6,#7] Row: 1712 Displacement of radio labeled 11 Tyr SST14 from human SST5 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 12 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6]-[#7]):[#6]:[#6]:[#6]:1-[#17,#6,#7,#9] Row: 1713 Displacement of [3H] dofetilide from human ERG channel expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 21 [#6]-[#6]-[#6]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6](-[#9])(-[#9])-[#9]):[#7]:[#6](:[#7]:1)-[#6]#[#7] Row: 1714 Displacement of [125I]iodoproxyfan from human recombinant histamine H3 receptor expressed in human SK-N-MC cells after 1 hr by fluid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 13 [#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-1-[#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7,#8]-,:[#6]-,:[#6]-,:1 Row: 1715 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO-A1 cells after 60 mins * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 23 [#6,#17]-[#6]1:[#7]:[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6](:[#6]2:[#6]:1:[#6]1:[#6]:[#6](:[#7]:[#7]:1:[#6]:[#7]:2)-[#6])=[#8,#16] Row: 1716 Displacement of [3H]nisoxetine from human NET by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 1717 Displacement of [3H]WIN-35,428 from human DAT by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 1718 Displacement of [3H]citalopram from human SERT by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 1719 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 1720 Inhibition of Enterobacter cloacae P99 beta-lactamase AmpC P99 using nitrocefin as substrate after 30 mins by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 17 [#8]-[#5]1-[#8]-[#6]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#8,#6,#7,#16]-[#6]1:[#6,#7]:[#6]:[#6]:[#6,#7]:[#6,#7]:1 Row: 1721 Displacement of [125I]PPY from human recombinant NPYY5 receptor expressed in mouse LMtk- cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 26 [#6]-[#6]1-[#7]-[#6](-[#6]2:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#7,#6]:2)=[#7]-[#6]-1(-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1)-[#9] Row: 1722 Inhibition of Staphylococcus aureus DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 18 [#7]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6](:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1723 Inhibition of human DHFR assessed as oxidation of NADPH using dihydrofolate as substrate pre-incubated for 10 mins before substrate addition by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 18 [#7]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6](:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1724 Displacement of [125I]PYY from human NPY5 receptor expressed in thymidine kinase deficient mouse LM cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 17 [#6]-[#6,#7]-[#16](=[#8])(=[#8])-[#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6]-[#6]-[#7] Row: 1725 Displacement of [3H]-NAMH from human histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:,=[#6,#7]:,-[#6,#7]:,-[#6](:,-[#7,#6]:,-[#7,#6]:,-1)=[#8] Row: 1726 Displacement of [3H]-NAMH from rat histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 18 [#7]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:,=[#6,#7]:,-[#6,#7]:,-[#6](:,-[#7,#6]:,-[#7,#6]:,-1)=[#8] Row: 1727 Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 21.3, mcs nAts: 11 [#6]-[#6](=,-[#6]-[#6]-[#7])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1728 Displacement of [3H]CP55940 from human CB1 receptor expressed in human HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 13 [#6]-[#8,#6]-,=[#6]-,=[#6]-[#6]-,=[#6]-[#6]-[#6]-[#8,#6]-[#6](-[#6,#8]-[#8,#6])-,=[#6,#8] Row: 1729 Displacement of [3H]CP55940 from human CB2 receptor expressed in human HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 13 [#6]-[#8,#6]-,=[#6]-,=[#6]-[#6]-,=[#6]-[#6]-[#6]-[#8,#6]-[#6](-[#6,#8]-[#8,#6])-,=[#6,#8] Row: 1730 Displacement of [3H]epibatidine from Lymnaea stagnalis acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 10 [#6]-[#8]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2 Row: 1731 Displacement of [3H]epibatidine from Aplysia californica acetylcholine binding protein expressed using baculoviral system after 1.5 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 10 [#6]-[#8]-[#6]1-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2 Row: 1732 Inhibition of rabbit muscle glycogen phosphorylase b assessed as inorganic phosphate release at pH 6.8 * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 11 [#6,#8,#15]-[#7,#6]-[#6]1-[#8]-[#6]-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 1733 Displacement of [125I]-Ghrelin from human GHSR membranes overexpressing GSH-R1a by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 29 [#6]-[#6]1:[#7]:[#6]2:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:[#6]:2:[#6](:[#7]:1-[#6]-[#6]1-[#6]-[#6]-[#6]-[#7](-[#6]-1)-[#6](-[#6])-[#6])=[#8])-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1734 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CHO cells after 90 mins by scintillation counting in presence of 0.2% BSA * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 21 [#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 1735 Displacement of [125I]CGRP from CGRP receptor in human SK-N-MC cell membrane after 2 hrs * postgresql://localhost/chembl_23 Mean nAts 43.4, mcs nAts: 27 [#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 1736 Displacement of [125I]-BNtxA from mouse cloned MOR-1 expressed in CHO cell membrane after 90 mins * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 27 [#6]=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4(-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]-[#6]-4)-[#7]-[#6](-,=[#6,#8])=,-[#8,#6])-[#8] Row: 1737 Displacement of [125I]-BNtxA from mouse cloned KOR-1 expressed in CHO cell membrane after 90 mins * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 27 [#6]=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4(-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]-[#6]-4)-[#7]-[#6](-,=[#6,#8])=,-[#8,#6])-[#8] Row: 1738 Displacement of [125I]-BNtxA from mouse cloned DOR-1 expressed in CHO cell membrane after 90 mins * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 27 [#6]=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4(-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]-[#6]-4)-[#7]-[#6](-,=[#6,#8])=,-[#8,#6])-[#8] Row: 1739 Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#8]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#6]:[#6]:[#6,#7]:[#6,#7]:2 Row: 1740 Antagonist activity at CB1 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 15 [#6,#7]1:[#6](-[#6](=[#8])-[#7]-[#7,#6]):[#7,#6]:[#7,#6]:[#6,#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1741 Displacement of [3H]-citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 19 [#8]=[#6]1-[#6]-[#6](-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#6](-[#7]-1-[#6]-[#6]-[#7,#6])=[#8] Row: 1742 Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in rat hippocampal membranes after 20 mins * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 19 [#8]=[#6]1-[#6]-[#6](-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#6](-[#7]-1-[#6]-[#6]-[#7,#6])=[#8] Row: 1743 Displacement of (-)-[3H]vesamicol from human VAChT expressed in rat PC12 cell membrane after 20 hrs * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 20 [#8,#6]=,-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#8] Row: 1744 Binding affinity to GluA2 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8,#6,#7,#16]-[#6]1-[#6]-[#6]-[#6]2-[#6](-[#6]-1)-[#6]-[#6](-[#7]-[#6]-2)-[#6](=[#8])-[#8] Row: 1745 Binding affinity to GluK1 receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8,#6,#7,#16]-[#6]1-[#6]-[#6]-[#6]2-[#6](-[#6]-1)-[#6]-[#6](-[#7]-[#6]-2)-[#6](=[#8])-[#8] Row: 1746 Displacement of [3H]-CP-55940 from rat CB2 receptor expressed in CHO cells after 90 mins * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6](-[#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#7]:2-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1747 Displacement of [3H]-CP-55940 from human CB2 receptor expressed in CHO cells after 90 mins * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6](-[#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6](:[#7]:2-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1748 Displacement of [3H]-R-alpha-ethylhistamine from histamine H3 receptor in rat cerebral cortical tissue membranes after 45 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 23 [#6,#7]-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6](:,-[#6,#7]:,-[#7,#6]:,-1)-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]1-[#6]-[#6]-[#6]-1 Row: 1749 Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK-293EBNA cells after 90 mins by luminescence counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 19 [#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#8,#6]-[#6,#7]1:[#7]:[#7,#6](-[#6,#8]-[#6]):[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1750 Inhibition of rabbit muscle glycogen phosphorylase b * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 12 [#6,#8]-[#7,#6]-[#6]1-[#8]-[#6](-[#6,#7])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 1751 Displacement of [3H]LSD from human recombinant 5-HT6 receptor expressed in CHO-K1 cell membrane after 3 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 12 [#8]=[#6]1-[#6,#8]-[#16,#6]-[#6]-[#7]-1-[#6]1:[#6]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 1752 Binding affinity to human CB1 receptor expressed in CHO cells by radioligand displacement based scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 37.7, mcs nAts: 24 [#6]-[#7]1:[#7]:[#6]2:[#6](-[#6]3:[#6]:[#6]:[#7,#6]:[#6]:[#6]:3):[#6](-[#6]3:[#6]:[#6,#7]:[#6,#7]:[#6,#7]:[#6]:3):[#6](:[#7]:[#7]:2:[#6]:1=[#8])=,-[#8,#6] Row: 1753 Inhibition of wild type human recombinant ALK kinase domain (amino acids 1093 to 1141) expressed in baculovirus system using 5'FAM-KKSRGDYMTMQIG-CONH2 as substrate incubated for 15 mins prior to ATP addition measured after 1 hr by microfluidic mobility shift assay * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 7 [#8,#6,#7]-[#6]1:[#6,#7]:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:1 Row: 1754 Displacement of (+)-pentazocine from sigma1 receptor in guinea pig brain cortex membrane by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 14 [#6]-[#6]:,-[#6]:[#6](:,-[#6]:,-[#6]:,-[#6,#7]-[#8,#6]-[#6])-,:[#6]=,-,:[#6]-,:[#6](-,:[#8,#6])-[#6,#8] Row: 1755 Displacement of [125I]-Orexin A from human OX2R expressed in CHO cells after 30 mins by topcount analysis * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 15 [#6,#8](-[#6,#7]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1756 Displacement of [3H]prazosin from human recombinant alpha1A adrenoceptor expressed in CHO cells after 30 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#6]-[#8]-[#6]2(-[#8]-1)-[#6]-[#6]-[#6,#7,#8,#16]-[#6]-[#6]-2 Row: 1757 Displacement of [3H](+)-pentazocine from human sigma 1 receptor in human Jurkat cell membranes incubated for 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 10 [#6,#8,#16]1:,-[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]-[#6,#7]-[#6]-[#7,#6] Row: 1758 Displacement of 2-[125I]iodomelatonin from human MT1 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 13 [#6]1:,-[#6]:,-[#6]:,-[#6]2:,-[#6](:,-[#6,#7]:,-1)-[#6]1-,:[#7,#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1-[#6]-2 Row: 1759 Displacement of 2-[125I]iodomelatonin from human MT2 receptor stably transfected in HEK293 cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 13 [#6]1:,-[#6]:,-[#6]:,-[#6]2:,-[#6](:,-[#6,#7]:,-1)-[#6]1-,:[#7,#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1-[#6]-2 Row: 1760 Inhibition of Hsp90 (unknown origin) by FP displacement assay * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 24 [#7]-[#6]1:[#7]:[#6]2:[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3:[#7]:[#6](:[#7]:2:[#7]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6]-[#8]-2 Row: 1761 Displacement of [3H]U-69593 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 12 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17] Row: 1762 Displacement of radioligand from human KISS1R transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 90.5, mcs nAts: 45 [#6]-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#7]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](-[#7])=[#8] Row: 1763 Displacement of radioligand from rat KISS1R transfected in CHO cells * postgresql://localhost/chembl_23 Mean nAts 90.5, mcs nAts: 45 [#6]-[#7]-[#6](=[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#7]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](-[#7])=[#8] Row: 1764 Displacement of [3H]spiperone from human D2long receptor stably expressed in CHO cell membranes by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 58.7, mcs nAts: 29 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1765 Displacement of [3H]spiperone from human D2short receptor stably expressed in CHO cell membranes by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 58.7, mcs nAts: 29 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1766 Displacement of [3H]spiperone from human D3 receptor stably expressed in CHO cell membranes by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 58.7, mcs nAts: 29 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1767 Displacement of [3H]spiperone from human D4.4 receptor stably expressed in CHO cell membranes by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 58.7, mcs nAts: 29 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1768 Displacement of [3H]SCH23390 from porcine striatal membranes D1 receptor by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 58.7, mcs nAts: 29 [#6,#8]-,=[#6](=,-[#8,#6])-[#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 1769 Inhibition of human factor 7a using H-D-Ile-Pro-Arg-pNA substrate * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 21 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#7])-[#7])-[#6]):[#6]:[#6]:[#6]:1 Row: 1770 Displacement of [3H]DAMGO from human recombinant opioid mu receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 15 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-[#6,#7]-[#6])-[#8,#6] Row: 1771 Displacement of [3H]NMS from human muscarinic M3 receptor expressing CHO-K1 cells incubated for 60 mins or 6 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 49.8, mcs nAts: 27 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6,#7]-[#6,#7]-,=[#6,#8] Row: 1772 Displacement of human recombinant CB1 receptor expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation based analysis * postgresql://localhost/chembl_23 Mean nAts 22.2, mcs nAts: 13 [#7,#6]-[#6,#7]-[#6]-[#6]-,=[#6]-[#6]-,=[#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1773 Displacement of human recombinant CB2 receptor expressed in HEK293 cell membranes incubated for 90 mins by Cheng-Prusoff equation based analysis * postgresql://localhost/chembl_23 Mean nAts 22.2, mcs nAts: 13 [#7,#6]-[#6,#7]-[#6]-[#6]-,=[#6]-[#6]-,=[#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1774 Inhibition of human carbonic anhydrase-1 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6](-,=[#7,#8])=,-[#8] Row: 1775 Inhibition of human carbonic anhydrase-2 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6](-,=[#7,#8])=,-[#8] Row: 1776 Inhibition of human carbonic anhydrase-9 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6](-,=[#7,#8])=,-[#8] Row: 1777 Inhibition of human carbonic anhydrase-12 incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 23 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6])-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6](-,=[#7,#8])=,-[#8] Row: 1778 Displacement of [125I]-Tyr0-sauvagine from human CRF1 receptor expressed in HEK293T cells after 2 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 48.0, mcs nAts: 11 [#6]-[#6]:[#6]:[#6](-[#7](-[#6])-[#6]):[#6,#7]-,:[#7,#6]-,:[#6,#7]=,-[#8,#6] Row: 1779 BindingDB_Patents: Radioligand Binding Assay. The relative affinity of the various compounds for the human 5-HT3 receptor was measured in a radioligand binding assay, using a scintillation proximity assay (SPA) format. Test compounds were dissolved to 10 mM in 100% DMSO, then serially diluted at 10x assay concentrations in 100% DMSO in 96-well polypropylene plates and further diluted to 4x assay concentrations with the assay buffer. Samples were incubated in 50 mM Tris-HCl, pH 7.5, 3 mM MgCl2, 1 mM EDTA and 10% DMSO with 10 nM [9-methyl-3H]BRL-43694 (Perkin Elmer), 3 ug of human 5-HT3 receptor membranes (Perkin Elmer) and 0.5 mg/mL SPA beads (WGA PVT, Amersham Biosciences) in a final volume of 0.2 mL. Binding reactions were set up in wells of PicoPlates-96 (Perkin Elmer) by adding consecutively 50 uL of each competing compound or buffer, SPA beads, the radioligand and 5-HT3 receptor membranes. After an overnight incubation at room temperature on a Nutator mixer, plates were centrifuged for 15 min at 1,500 rpm. * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 9 [#7,#6]1:,-[#6,#7,#16]:,-[#6,#7]:,-[#6]2:[#6]:,-1:[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-2 Row: 1780 BindingDB_Patents: Binding Assay. Binding assay of opioid receptor. * postgresql://localhost/chembl_23 Mean nAts 36.8, mcs nAts: 29 [#6,#16]-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]2(-[#8])-[#6]3-[#6]-[#6]4:[#6]5-[#6]-2(-[#6](-[#6]-,=1=,-[#8,#7])-[#8]-[#6]:5:[#6](:[#6]:[#6]:4)-[#8])-[#6]-[#6]-[#7]-3-[#6]-[#6]1-[#6]-[#6]-1 Row: 1781 Displacement of [3H]spiperone from dopamine D2 receptor in rat striatum * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 18 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#7]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#9] Row: 1782 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in rat brain cortex * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 18 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#7]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#9] Row: 1783 Displacement of [3H]ketanserin from 5HT2A receptor in rat brain cortex * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 18 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#7]:[#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#9] Row: 1784 Inhibition of human carbonic anhydrase 1 by Stopped-Flow CO2 Hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.2, mcs nAts: 11 [#8,#16]=,-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#8,#6,#16]:1):[#6,#8]:[#6]:[#6]:[#6,#8]:2 Row: 1785 Inhibition of human carbonic anhydrase 2 by Stopped-Flow CO2 Hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.2, mcs nAts: 11 [#8,#16]=,-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#8,#6,#16]:1):[#6,#8]:[#6]:[#6]:[#6,#8]:2 Row: 1786 Inhibition of human carbonic anhydrase 9 catalytic domain by Stopped-Flow CO2 Hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.2, mcs nAts: 11 [#8,#16]=,-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#8,#6,#16]:1):[#6,#8]:[#6]:[#6]:[#6,#8]:2 Row: 1787 Inhibition of human carbonic anhydrase 12 catalytic domain by Stopped-Flow CO2 Hydrase assay * postgresql://localhost/chembl_23 Mean nAts 15.2, mcs nAts: 11 [#8,#16]=,-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#8,#6,#16]:1):[#6,#8]:[#6]:[#6]:[#6,#8]:2 Row: 1788 Binding affinity to rat A2A adenosine receptor * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 26 [#7]-[#6](:[#7]:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2):[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#8,#16,#17,#35,#53]):[#7] Row: 1789 Inhibition of human recombinant N-terminal 6-His-tagged PAK1 kinase domain (249 to 545 residues) expressed in Escherichia coli BL21(DE3) assessed as phosphorylation of coumarin labeled FRET peptide substrate at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 23 [#6]-[#7]-[#6]1:[#7]:[#6]:[#6]2:[#6](:[#7]:1):[#7](:[#6](:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6])-[#7,#6])=[#8])-[#6]-[#6] Row: 1790 Displacement of [3H]spiperone from human recombinant dopamine D2 receptor * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 18 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1791 BindingDB_Patents: Competition Binding Assay. Competition binding assay using hNK3 receptor. * postgresql://localhost/chembl_23 Mean nAts 35.3, mcs nAts: 30 [#6]-[#6]1(-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#7]:2)-[#17])-[#6]-[#7](-[#6](=[#8])-[#6,#7]2-,:[#6]-,:[#6]-,:[#8,#6,#7]-,:[#6,#7]-,:[#6]-,:2)-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 1792 Displacement of [3H]prazosin from rat adrenergic alpha1A receptor expressed in fibroblast cells * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 26 [#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1793 Displacement of N-methyl [3H]-scopolamine from recombinant human muscarinic acetylcholine receptor M2 expressed in CHO cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 21 [#6]-[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2(-[#6]-[#6]-1)-[#6]-[#7](-[#6]-2)-[#6] Row: 1794 Displacement of [3H]spiperone from dopamine D2 receptor in Sprague-Dawley albinus rat striatal membranes after 15 mins * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 16 [#6,#7]-[#6]-,=,#[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]:[#6](-,:[#8,#6,#7]-,:1):[#6]:[#6]:[#6]:[#6] Row: 1795 Binding affinity to I1 imidazoline binding site in Rattus norvegicus (rat) PC12 cells * postgresql://localhost/chembl_23 Mean nAts 15.4, mcs nAts: 7 [#6]1:,-[#6,#7]:,=[#6]:,-[#6](:,=[#6]:,-[#6]:,-1)-[#8,#6,#7,#17] Row: 1796 Displacement of [3H]LSD from rat cloned 5HT7 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 21 [#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1797 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 21 [#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1798 Displacement of [3H]T-226296 from rat recombinant MCH1 receptor * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 18 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 1799 Inhibition of HIV-1 protease by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 45.1, mcs nAts: 31 [#6]-[#6]-[#7]1-[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6](-[#8])-[#6](-[#7](-[#16]-1(=[#8])=[#8])-[#6]-[#6])-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1800 Displacement of [3H]spiroperidol from human cloned dopamine D2L receptor expressed in rat C6 cells * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 21 [#8,#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1801 BindingDB_Patents: Radioligand Dose-Displacement Binding Assay. Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 µg membrane protein (recombinant ¿ opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 µl binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). Non-specific binding was determined in the presence of 10 µM unlabeled naloxone or U69,593. All reactions were performed in 96-well polypropylene plates for 1 hour at a temperature of about 25° C. Binding reactions were terminated by rapid filtration onto 96-well Unifilter GF/C filter plates (Perkin Elmer, Shelton, Conn.) presoaked in 0.5% polyethylenimine (Sigma). Harvesting was performed using a 96-well tissue harvester (Perkin Elmer, Shelton, Conn.) followed by five filtration washes with 200 µl ice-cold binding buffer. Filter plates were subsequently dried at 50° C. for 1-2 hours. * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 27 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8])-[#6]-[#6]1:[#6]:[#6](:[#6](:[#7]:[#6]:1-[#6]-3)=[#8])-[#6](-,=[#7,#8])=,-[#8,#7] Row: 1802 Inhibitory concentration against human immunodeficiency virus -1 protease * postgresql://localhost/chembl_23 Mean nAts 65.1, mcs nAts: 44 [#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#6,#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7,#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6](=,-[#8,#6,#7])-,=[#8,#6,#7])-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-,=[#7,#8])=,-[#8,#7] Row: 1803 Binding affinity to human GnRHR * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 32 [#7]-[#6](-[#6]-[#7]1:[#6](=[#8]):[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7](:[#6]:1=[#8])-[#6]-[#6]1:[#6](-[#9,#16]):[#6]:[#6]:[#6]:[#6]:1-[#9,#6,#16])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1804 Inhibition of wild type HIV1 reverse transcriptase by SPA assay * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 24 [#7]#[#6]-[#6]1:[#6]:[#6](-[#17]):[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#6]:[#6](-[#8]-[#6]-[#6]2:[#6,#7,#8]:[#6,#7]:[#7,#6,#8]:[#7,#6,#8]:2):[#6]:[#6]:[#6]:1-[#17] Row: 1805 Inhibition of rat FAAH * postgresql://localhost/chembl_23 Mean nAts 22.4, mcs nAts: 20 [#8]=[#6](-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7,#8]:[#6](-[#35,#6,#8,#16,#17,#53]):[#6]:[#8,#7]:1 Row: 1806 Binding affinity to human prostasin * postgresql://localhost/chembl_23 Mean nAts 52.4, mcs nAts: 21 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=[#8])-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:1 Row: 1807 Displacement of [3H]N-methylscopolamine from human muscarinic M1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 16 [#6]-[#7]-[#6]-[#6]-[#6]1:[#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6](-[#6])-[#6,#7] Row: 1808 Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells after 90 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 16 [#6]-[#7]-[#6]-[#6]-[#6]1:[#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6](-[#6])-[#6,#7] Row: 1809 Displacement of [3H]NECA from human recombinant adenosine A3 receptor expressed in CHO cells after 3 hrs * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 21 [#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#8,#9,#17,#35])-[#7] Row: 1810 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.3, mcs nAts: 20 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#7]:[#7](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1811 BindingDB_Patents: Binding Assay. Evaluation of the affinity of compounds for the human MCH-1 receptor was accomplished using 4-(3,4,5-tritritiumbenzyloxy)-1-(1-(2-(pyrrolidin-1-yl)ethyl)-1H-indazol-5-yl)pyridin-2(1H)-one and membranes prepared from stable CHO-K1 cells expressing the human MCH-1 receptor obtained from Euroscreen (Batch 1138). Cell membrane homogenates (8.92 µg protein) were incubated for 60 min at 25° C. with 1.4 µM of the [3H]-labeled compound in the absence or presence of the test compound in 50 mM Tris-HCl buffer, pH 7.4. Nonspecific binding was determined in the presence of 50 µM 1-(5-(4-cyanophenyl)bicyclo[3.1.0]hexan-2-yl)-3-(4-fluoro-3-(trifluoromethyl)phenyl)-1-(3-(4-methylpiperazin-1-yl)propyl)urea. Following incubation, the samples were filtered rapidly under vacuum through Skatron 11731 filters, pre-soaked in 0.5% polyethylenimine, and washed with ice-cold 50 mM Tris-HCl buffer, pH 7.4, (wash setting 9,9,0) using a Skatron cell harvester. * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 21 [#8]=[#6]1:,-[#6]:,-[#6,#7](-[#8,#6]):,-[#6]:,-[#6]:,-[#7]:,-1-[#6]1:[#6]:[#6]:[#6,#7]2:[#6](:[#6,#7]:1):[#7]:[#6]1:[#7,#6]:2-[#6]-[#6,#7]-[#7,#6]-[#6]-1 Row: 1812 Displacement of [3H]-5-CT from 5HT7 receptor in Sprague-Dawley albinus rat hyphalamic membranes after 120 mins * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 16 [#6,#7]-[#6]-,=,#[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]:[#6](-,:[#8,#6,#7]-,:1):[#6]:[#6]:[#6]:[#6] Row: 1813 Displacement of of [125I]-IABN from human D2 long receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 18 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6] Row: 1814 Displacement of of [125I]-IABN from human D3 receptor expressed in HEK293 cell membranes after 60 mins by filtration binding assay * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 18 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6] Row: 1815 Displacement of [3H]GR113808 from 5HT4 receptor in Sprague-Dawley albinus rat striatal membranes after 30 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 16 [#6,#7]-[#6]-,=,#[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]:[#6](-,:[#8,#6,#7]-,:1):[#6]:[#6]:[#6]:[#6] Row: 1816 Displacement of [3H]-LY278584 from 5HT3 receptor in Sprague-Dawley albinus rat cerebral cortex membranes after 30 mins * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 16 [#6,#7]-[#6]-,=,#[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]:[#6](-,:[#8,#6,#7]-,:1):[#6]:[#6]:[#6]:[#6] Row: 1817 Inhibitory constant against DNA polymerases IIIE from Bacillus subtilis; (a) * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 12 [#6]-[#7]-[#6]1:[#7]:[#6](-[#8]):[#6]2:,-[#6](:[#7]:1):[#7]:[#6]:[#7]:2 Row: 1818 Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 29.3, mcs nAts: 11 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#7,#16])-,=[#7,#8] Row: 1819 Inhibitory activity against human carbonic anhydrase IX expressed in Escherichia coli BL21 * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 8 [#6,#7,#16]1:,-[#6,#7]:,-[#6,#7]:,-[#6](:,-[#6,#7]:[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8] Row: 1820 Inhibition of full-length ITK (unknown origin) using biotin-EQEDEPEGIYGVLF-NH2 as substrate by plate reader analysis * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 24 [#8]=[#6](-[#7]-[#6]1:[#6,#7]:[#6,#7]:[#7,#6](:[#7,#6,#8,#16]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1821 Inhibitory activity against human carbonic anhydrase II expressed in Escherichia coli BL21 * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 8 [#6,#7,#16]1:,-[#6,#7]:,-[#6,#7]:,-[#6](:,-[#6,#7]:[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8] Row: 1822 Inhibition of human melanin concentrating hormone receptor 1 * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 25 [#6]-[#7](-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#17,#6,#8,#9])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8,#17] Row: 1823 BindingDB_Patents: Binding Assay. Binding assay using NET, DAT and SERT enzyme. * postgresql://localhost/chembl_23 Mean nAts 16.6, mcs nAts: 14 [#9,#6,#7,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#6,#9])-[#6]12-[#6]-[#7]-[#6]-[#6]-1-[#6]-2 Row: 1824 Inhibition of human DPP4 * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 16 [#7]-[#6]1-[#6]-[#7](-[#6])-[#6](-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#9])=[#8] Row: 1825 Displacement of [3H]ketanserin from 5HT2A receptor in Sprague-Dawley albinus rat frontal cortex membranes after 15 mins * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 16 [#6,#7]-[#6]-,=,#[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]:[#6](-,:[#8,#6,#7]-,:1):[#6]:[#6]:[#6]:[#6] Row: 1826 Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6,#8,#16]-[#8,#6,#7]-[#6,#7] Row: 1827 Binding affinity against 5-Hydroxy tryptamine 7 receptor * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 19 [#6]-[#6](-[#7]-[#6]1:[#6,#7]:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:1)-[#7]-[#6]-[#6]-[#6,#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1828 Binding affinity for human prostanoid EP4 receptor * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]=,-[#6]-,=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8]=,-[#6]-,=[#6,#8] Row: 1829 Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 180 mins by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 17 [#7,#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]:[#6]:1 Row: 1830 Displacement of [3H]5CT from human cloned 5HT7B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 18.9, mcs nAts: 8 [#6]-[#16,#6,#7,#8]-[#6]1:,-[#6,#7]:,-[#6,#7,#8]:,-[#6]:,-[#6,#8]:,-[#7,#6]:,-1 Row: 1831 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 11 [#6](#,-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#6]-,#[#6]-[#7,#6] Row: 1832 Displacement of [3H]RTX from rat TRPV1 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 16 [#6]-[#6](-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#16,#8])-[#7,#6]-[#6] Row: 1833 Displacement of [3H]spiperone from human D2S receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 9 [#7,#6]-[#6]-[#6,#7,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1834 Displacement of [3H]CGP12177 from human beta2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 9 [#7,#6]-[#6]-[#6,#7,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1835 Inhibition of Bacillus subtilis Protoporphyrinogen oxidase by capillary electrophoresis * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 19 [#7,#8]-,=[#6](:,-[#6]):,-[#6,#7](:,-[#6]:[#6]:[#6]-[#7]1-[#6](=[#8])-[#6]2=,:[#6](-[#6]-1=[#8])-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:2)-[#17,#6] Row: 1836 Inhibition of mouse PI3Kalpha * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 23 [#6]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#6]:1:[#6]:[#6](-[#6]):[#6](:[#7]:2-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]-[#8,#6])=[#8] Row: 1837 Inhibition of human factor Xa by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 21 [#6]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#8]-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6](-[#6]-1=[#8])-[#7]-[#16](=,-[#8,#6])(=[#8])-,=[#6,#8] Row: 1838 Displacement of [3H](+)-pentazocine from guinea pig brain sigma 1 receptor * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 11 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7,#6]-[#6](=[#7,#8])-[#7,#8]-[#6] Row: 1839 Displacement of [3H](+/-)-emopamil from EBP in Dunkin guinea pig liver membrane by radioreceptor binding assay * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 9 [#6,#8]-,=[#6,#8]-[#7,#6](-,:[#6]-,:[#6]-[#7,#6]-[#6,#7,#8])-,:[#6]-,:[#6] Row: 1840 Displacement of [3H]OH-DPAP from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6](-[#7]-[#6]-[#6]-[#6]-[#6])-[#6]-[#8]-2 Row: 1841 Displacement of [3H]-N-methylspiperone from human dopamine D2 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 20 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-,=[#6,#8] Row: 1842 Displacement of [125I]-[D-Ala2]deltorphin 2 from human cloned delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 30 [#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1843 Displacement of [125I]FK33824 from human cloned mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 30 [#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1844 Displacement of [125I]D-pro10-dynorphin from human cloned kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 30 [#6]-,=[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6](-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 1845 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HeLa cells by microplate beta scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.4, mcs nAts: 21 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]-[#6]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1846 Binding affinity for human prostanoid EP3 receptor * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]=,-[#6]-,=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8]=,-[#6]-,=[#6,#8] Row: 1847 Binding affinity for human prostanoid EP2 receptor * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]=,-[#6]-,=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8]=,-[#6]-,=[#6,#8] Row: 1848 Binding affinity for human prostanoid EP1 receptor * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]=,-[#6]-,=[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#8]=,-[#6]-,=[#6,#8] Row: 1849 Displacement of [3H]-N-methylspiperone from human dopamine D3 receptor (unknown origin) expressed in HEK293 cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 20 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-,=[#6,#8] Row: 1850 Displacement of [3H](+)-pentazocine from sigma-1 receptor in guinea pig brain * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 13 [#8,#7]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-2-[#6](-[#6]2-[#6]-1-[#6]-3-[#6]-2-4)-[#7,#8] Row: 1851 Inhibition of human coagulation factor 11a assessed as substrate hydrolysis to p-nitroaniline incubated for 10 to 120 mins by spectrophotometry analysis * postgresql://localhost/chembl_23 Mean nAts 39.7, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6,#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6,#7]-[#6]=,-[#6]-[#6]1:[#6]:[#6](-[#17]):[#6]:[#6]:[#6]:1-[#7]1:[#6]:[#7]:[#7]:[#7]:1 Row: 1852 Inhibition of human plasma kallikrein * postgresql://localhost/chembl_23 Mean nAts 39.7, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6,#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6,#7]-[#6]=,-[#6]-[#6]1:[#6]:[#6](-[#17]):[#6]:[#6]:[#6]:1-[#7]1:[#6]:[#7]:[#7]:[#7]:1 Row: 1853 Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 18 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#6]=[#6](-[#6]-2-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7] Row: 1854 Binding affinity against HIV protease * postgresql://localhost/chembl_23 Mean nAts 40.6, mcs nAts: 10 [#6]1-,:[#7,#6]-,:[#6](-[#6,#7]-,=,#[#6,#7,#8])-,:[#6]-,:[#6](-,:[#7,#6]-,:1)-[#6]-[#6,#7] Row: 1855 Displacement of [3H]histamine from human recombinant histamine H4 receptor expressed in CHO cells coexpressing Ga15 by radioligand filtration binding assay * postgresql://localhost/chembl_23 Mean nAts 20.6, mcs nAts: 12 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6,#7]:[#7,#6]2:[#6]:[#6]:[#7,#6]:[#6,#7]:[#6]:2:[#7]:1 Row: 1856 Ability to displace [3H]PAF from its Platelet Activating Factor (PAF) receptor in rabbit platelet membrane in vitro. * postgresql://localhost/chembl_23 Mean nAts 43.4, mcs nAts: 27 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6,#7,#8]-[#6]-[#8,#6]-[#6]-[#6,#8]-[#6]-[#6,#7,#8]-[#6,#15]-,=[#6,#8] Row: 1857 Displacement of [3H]U69593 from human kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 20 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 1858 Binding affinity against HIV-1 protease. * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 23 [#6]1:[#6,#8]:[#6](-,=[#8]):[#6](:[#6](:[#8,#6]:1)=,-[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#16](=,-[#8,#6])(=[#8])-,=[#6,#8])-[#6]1-[#6]-[#6]-1 Row: 1859 Inhibition constant against pro-cathepsin D (50 ng/mL) of human liver upon incubation at pH 4.5 for 10 min using DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate * postgresql://localhost/chembl_23 Mean nAts 42.3, mcs nAts: 19 [#6]-,=[#7,#6]-[#7,#6]-[#6,#8]-[#6](-[#8,#6])-[#6](-[#8])-[#6](-[#8])-[#6](-[#8]-[#6]-[#6]=[#6])-[#6](=[#8])-[#7]-[#7,#6] Row: 1860 Inhibition constant against plasmepsin-1 of Plasmodium falciparum, 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate * postgresql://localhost/chembl_23 Mean nAts 42.3, mcs nAts: 19 [#6]-,=[#7,#6]-[#7,#6]-[#6,#8]-[#6](-[#8,#6])-[#6](-[#8])-[#6](-[#8])-[#6](-[#8]-[#6]-[#6]=[#6])-[#6](=[#8])-[#7]-[#7,#6] Row: 1861 Inhibition constant against plasmepsin-2 of Plasmodium falciparum 10 min using 3 uM of DABCYL-Glu-Arg-Nle-Phe-Le u-Ser-Phe-Pro-EDANS as substrate * postgresql://localhost/chembl_23 Mean nAts 42.3, mcs nAts: 19 [#6]-,=[#7,#6]-[#7,#6]-[#6,#8]-[#6](-[#8,#6])-[#6](-[#8])-[#6](-[#8])-[#6](-[#8]-[#6]-[#6]=[#6])-[#6](=[#8])-[#7]-[#7,#6] Row: 1862 Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] rosiglitazone * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 22 [#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#8])-[#6]-[#6]#,-,=[#6]-[#6]-[#6]-[#6]-[#6]=,-[#8,#6] Row: 1863 Displacement of [3H]DPDPE from human cloned delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 21 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]=,-[#6]-4)-,=[#8] Row: 1864 Inhibition of human carbonic anhydrase 2 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 12 [#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 1865 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 20 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 1866 Binding affinity for 5-hydroxytryptamine 2A receptor expressed in 3T3 cells * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 28 [#6]-[#6]1-[#6]-[#6]-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16,#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1867 Affinity for 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 18 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7,#6] Row: 1868 Displacement of [3H]-5-HT from human 5-hydroxytryptamine 1D receptor beta * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 14 [#6,#16]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6]-[#7,#6] Row: 1869 Ability to inhibit adenosine uptake by the P2 transporter in Trypanosoma brucei * postgresql://localhost/chembl_23 Mean nAts 43.1, mcs nAts: 21 [#7]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6](:[#7]:1)-[#7,#6]-[#6,#7]-[#6]-[#6]-[#7,#6]-[#6,#7]-[#6]-[#6,#7]-[#6]-[#6,#7]-[#6]-[#6,#7]-[#6] Row: 1870 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.8, mcs nAts: 7 [#6,#16]-[#6]1:[#7,#6,#16]:[#6,#7]:[#6](:[#8,#6,#16]:1)-[#6] Row: 1871 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.8, mcs nAts: 7 [#6,#16]-[#6]1:[#7,#6,#16]:[#6,#7]:[#6](:[#8,#6,#16]:1)-[#6] Row: 1872 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.8, mcs nAts: 7 [#6,#16]-[#6]1:[#7,#6,#16]:[#6,#7]:[#6](:[#8,#6,#16]:1)-[#6] Row: 1873 Binding affinity to human F10a * postgresql://localhost/chembl_23 Mean nAts 41.3, mcs nAts: 16 [#6]-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6](:[#7]:[#8]:3)-[#7]):[#6]:[#6]:1 Row: 1874 Displacement of B-Alexa-Fluor647 from CDK2 (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 36.8, mcs nAts: 26 [#8]=[#6](-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#9])-[#6]1:[#6]:[#6](-[#6](=,-[#8,#7])-,=[#8,#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6,#7] Row: 1875 Binding affinity to EP4 receptor * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 13 [#8,#7]=,-[#6](-,=[#8,#7])-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-,=[#6] Row: 1876 Displacement of [125]Ang2 from AT1 receptor in rat liver membrane * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 12 [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6] Row: 1877 Displacement of [3H]NPVF from human NPFF1 receptor expressed in CHO cells after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 15 [#7,#6]=,-[#6,#7]-[#7,#6,#8]-[#6,#7]-[#6,#7]-[#7,#6]-[#6,#7]-[#6,#7]-[#7,#6]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 1878 Binding affinity to EP3 receptor * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 13 [#8,#7]=,-[#6](-,=[#8,#7])-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-,=[#6] Row: 1879 Binding affinity to EP2 receptor * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 13 [#8,#7]=,-[#6](-,=[#8,#7])-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-,=[#6] Row: 1880 Binding affinity to EP1 receptor * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 13 [#8,#7]=,-[#6](-,=[#8,#7])-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-,=[#6] Row: 1881 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 15 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#7]:[#7](:[#6]:2)-[#6] Row: 1882 Inhibition of rat DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 23 [#7,#6,#8]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8]-[#15](=[#8])(-[#8])-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 1883 Inhibition of human DNPH1 assessed as 2-deoxyribose 5-phosphate production by spectrophotometrically * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 23 [#7,#6,#8]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8]-[#15](=[#8])(-[#8])-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 1884 Inhibition of STAT5B SH2 domain (unknown origin)-5-FAM-GpYLVLDKW interaction compound treated for 15 mins by fluorescent polarization assay * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 30 [#6,#9]-[#6]1:[#6]:[#6](-[#6,#9]):[#6](:[#6](:[#6]:1)-[#6,#9])-[#16](=[#8])(=[#8])-[#7](-[#6])-[#6]-[#6](=[#8])-[#7](-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8])-[#6](=[#8])-[#8] Row: 1885 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 26 [#7,#8]#,=[#6]-[#6]1:[#6]:[#7](-[#6]2:[#7]:[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3:[#16]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1886 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 26 [#7,#8]#,=[#6]-[#6]1:[#6]:[#7](-[#6]2:[#7]:[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3:[#16]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1887 Displacement of [3H]des-Arg10 Leu9 kallidin from human bradykinin B1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 26 [#6]-[#6]1:[#6](-[#9,#17]):[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#6]-[#7]-[#6](=[#8])-[#6]1(-[#7]-[#6](-,=[#6,#8])=,-[#8,#6])-[#6]-[#6]-1 Row: 1888 Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 26 [#7,#8]#,=[#6]-[#6]1:[#6]:[#7](-[#6]2:[#7]:[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3:[#16]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1889 Displacement of [125]Ang2 from AT2 receptor in pig uterus membrane * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 12 [#6]-[#6]-[#6]-[#6]-[#8]-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6] Row: 1890 Displacement of [3H]8-OH-DPAT from 5HT1A receptor in CRL:CD(SD)BR-COBS rat hippocampus * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 16 [#6]1:[#6]:[#7,#6]:[#6](:[#7,#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6,#16]-[#16,#6] Row: 1891 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.8, mcs nAts: 7 [#6,#16]-[#6]1:[#7,#6,#16]:[#6,#7]:[#6](:[#8,#6,#16]:1)-[#6] Row: 1892 Binding affinity against Dopamine receptor D2 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 28 [#6]-[#6]1-[#6]-[#6]-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16,#8]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1893 Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydrase assay method * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 26 [#7,#8]#,=[#6]-[#6]1:[#6]:[#7](-[#6]2:[#7]:[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3:[#16]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1894 Displacement of [3H]dexamethasone from human recombinant GR * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 22 [#7]1:[#6](=[#8]):[#7]:[#6](:[#6](:[#6]:1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#8,#6] Row: 1895 Displacement of [3H]L-364718 from human recombinant CCK1 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 41.8, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7,#6]-[#6,#7]1-[#7]=[#6](-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#7,#6]:,-2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6]-1=[#8])-[#6]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 1896 Displacement of [3H]U-69593 from human cloned kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 21 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]=,-[#6]-4)-,=[#8] Row: 1897 Displacement of [3H]DAMGO from human cloned mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 21 [#6]-[#7]1-[#6]-[#6]-[#6]23-[#6]4-[#6]-1-[#6]-[#6]1:[#6]-2:[#6](:[#6](:[#6]:[#6]:1)-[#8])-[#8]-[#6]-3-[#6](-[#6]=,-[#6]-4)-,=[#8] Row: 1898 Inhibition of human carbonic anhydrase 1 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 12 [#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 1899 Displacement of [3H]DPDPE from delta opioid receptor in rat brain * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 28 [#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]1-[#6]-[#6]-,:[#6]-[#6]-[#6]-1-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 1900 Displacement of [3H]DAMGO from mu opioid receptor in rat brain * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 28 [#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]1-[#6]-[#6]-,:[#6]-[#6]-[#6]-1-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 1901 Inhibition of human carbonic anhydrase 12 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 11 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1902 Displacement of [3H](1-(2-(methylsulfonamido)ethyl)piperidin-4-yl)methyl 1-methyl-1H-indole-3-carboxylate from human 5HT4R expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 12 [#6]-[#6,#7,#8]-[#6,#7]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6]-[#8,#6,#7]-[#6,#7] Row: 1903 Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 30 mins by Scatchard plot analysis * postgresql://localhost/chembl_23 Mean nAts 18.8, mcs nAts: 18 [#6]-[#6]-[#8]-[#6](=[#8])-[#6]1:,-[#6](-[#6]2:[#6]:[#6]:[#6,#8,#16]:[#8,#6,#16]:2):,-[#7]:,-[#6](:,-,=[#7]:,-[#6]:,=1-[#6])=,-[#8,#16] Row: 1904 Displacement of [3H]LSD from human 5-hydroxytryptamine 6 receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 24 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1)-[#6,#7]1:[#6]:[#7,#6,#8,#16]:[#6]2:[#6]:1:[#6,#7]:[#6]:[#7,#6]:[#6]:2-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1905 Binding affinity against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 29 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16,#6]-[#6]-[#6]-[#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](=[#8])-[#7](-[#6]-[#6]-[#8,#6])-[#6]-[#6] Row: 1906 Inhibition of human recombinant furin by fluorescence plate reader analysis * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 12 [#7]=[#6](-[#7])-[#7]-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1907 Inhibition of human carbonic anhydrase 9 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 11 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1908 Inhibition of human recombinant NPP1 expressed in insect SF9 cells using ATP as substrate preincubated with substrate followed by protein addition and subsequent incubation for 30 mins by capillary electrophoresis * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 15 [#6]-[#6]=[#6]1:[#16]:[#6]2:[#7]:[#6]3:[#6](:[#7]:2:[#6]:1=[#8]):[#6]:[#6]:[#6]:[#6]:3 Row: 1909 Inhibitory activity against human Carbonic anhydrase XII (hCA XII) * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 8 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 1910 Inhibition of human carbonic anhydrase 2 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 11 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1911 Displacement of [3H]8-OH-DPAT from rat 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-,:[#6]1:[#6]:[#6]:[#6]:[#6]3:[#6]:1-[#6](-[#6]-2)-[#7](-[#6])-[#6]-[#6]-3 Row: 1912 Antagonist activity at human OX2R by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:1)-[#7,#6] Row: 1913 Displacement of [3H]DAMGO from mu opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8]-[#6](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 1914 Displacement of [3H]DADLE from delta opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8]-[#6](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 1915 Inhibitory activity against human Carbonic anhydrase IX (hCA IX) * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 8 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 1916 Inhibition of neutral endopeptidase (NEP) isolated from rabbit kidney * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 21 [#6,#16]-[#6]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](=[#8])-[#8] Row: 1917 Competitive inhibition of recombinant human DOT1L using adenosine/deazaadenosine as substrate and SAM cofactor * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 21 [#6]-[#6]-[#16,#7]-[#6]-[#6]1-,=[#8,#6]-[#6](-[#7]2:[#6]:[#7,#6]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7])-[#6](-[#6]-1-[#8])-[#8] Row: 1918 Displacement of [3H]U69593 from kappa opioid receptor (unknown origin) expressed in HEK293T cells after 1.5 hrs by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8]-[#6](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 1919 Inhibition of human carbonic anhydrase 1 incubated for 15 mins prior to testing by CO2 hydration-based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 11 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1920 Inhibitory activity against human Carbonic anhydrase II (hCA II) * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 8 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 1921 Inhibitory activity against human Carbonic anhydrase I (hCA I) * postgresql://localhost/chembl_23 Mean nAts 18.7, mcs nAts: 8 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 1922 Binding affinity towards human factor IXa * postgresql://localhost/chembl_23 Mean nAts 39.4, mcs nAts: 17 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6,#7](:[#6]:[#7,#6]:2)-[#6]-[#6](=,-[#8,#6])-[#7,#6]-,=[#6,#8] Row: 1923 Reversible inhibition of human recombinant cathepsin B assessed as formation of fluorescent degradation product AMC using Z-Arg-Arg-AMC as substrate by Michaelis-Menten method * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 18 [#6]-[#6]-[#16]-[#6]1:[#7]:[#6](-[#16]-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2):[#7]:[#6](:[#7]:1)=[#8] Row: 1924 Inhibitory activity against bovine trypsin expressed as dissociation constant * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 12 [#7,#8]-,=[#6](=,-[#8,#7])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1925 Binding affinity towards human factor Xa * postgresql://localhost/chembl_23 Mean nAts 39.4, mcs nAts: 17 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6,#7](:[#6]:[#7,#6]:2)-[#6]-[#6](=,-[#8,#6])-[#7,#6]-,=[#6,#8] Row: 1926 Inhibition of human carbonic anhydrase 9 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 12 [#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 1927 Inhibition of human cathepsin K * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 18 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#8,#6]-[#6,#7]-[#6])-[#6](=[#8])-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#6,#8] Row: 1928 Inhibition of human cathepsin B * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 18 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#8,#6]-[#6,#7]-[#6])-[#6](=[#8])-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#6,#8] Row: 1929 Binding affinity carried out with [3H]cyclohexyladenosine in guinea pig forebrain membranes against adenosine A1 receptor * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 17 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6](-[#6])-[#7,#6,#8]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6] Row: 1930 Inhibition of human cathepsin L * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 18 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#8,#6]-[#6,#7]-[#6])-[#6](=[#8])-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#6,#8] Row: 1931 Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF1 receptor expressed in CHO cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 26 [#7]=[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#7])=[#8] Row: 1932 Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 18 [#6]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)=[#8] Row: 1933 Inhibition of human carbonic anhydrase 12 using saturated CO2 as substrate incubated for 10 mins prior to testing by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 12 [#6]-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#8]:[#6]:1=[#8] Row: 1934 Displacement of [3H]8OHDPAT from human 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 26 [#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1935 Displacement of [3H]CP-55940 from human CB2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 18 [#6]-,=[#6]-[#6]-[#7]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]):[#6](:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)=[#8] Row: 1936 Displacement of [125I]MCH from human Melanin-concentrating hormone 1 (MCH1) receptor modified for optimal expression in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 40.0, mcs nAts: 17 [#7,#6](-[#6,#7]-,=[#6,#8])-[#6,#7]1-[#6]-[#6]-[#7,#6](-[#6]-1)-[#6,#7](=,-[#8,#6])-[#7,#6](-,=[#6,#8])-[#6,#7]1-,:[#6]-,:[#6]-,:[#7,#6]-,:[#6,#16]-,:1 Row: 1937 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK293 cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.2, mcs nAts: 9 [#6]-[#6,#7]1:[#6]:[#7,#6](-[#6]-[#6]-[#6]):[#7]:[#7]:1 Row: 1938 Displacement of [125I]IABN from human dopamine D2L receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 25 [#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]1:[#6,#7]:[#7,#8,#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1939 Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 25 [#8]-[#6]1(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]2-[#6]-[#6]-[#6](-[#6]-1)-[#7]-2-[#6]-[#6]1:[#6,#7]:[#7,#8,#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 1940 BindingDB_Patents: AlphaScreen Assay. The PI3K AlphaScreen assay (PerkinElmer, Waltham, Mass.) measures the activity of a panel of four phosphoinositide 3-kinases: PI3Ka, PI3Kß, PI3K¿, and PI3Kd. Each of these enzymes phosphorylates the 3'-hydroxyl group on phosphatidylinositiol (4,5)-bisphosphate (PIP2) to produce phosphatidylinositol (3,4,5)-trisphosphate (PIP3). This phosphorylation activity is measured using a GST-tagged PIP3 binding protein (Echelon Biosciences, Salt Lake City, Utah), an anti-GST-tagged Acceptor bead, and streptavidin-Donor bead. The interaction of biotinylated-PIP3 analog (IP4) and the PIP3 binding protein brings both Acceptor and Donor beads together producing, upon excitation of the Donor beads at 680 nm, a singlet oxygen species leading to the luminescent AlphaScreen signal. When PIP3 is produced via phosphorylation of PIP2 by a PI3K, PIP3 competes with biotinylated-PIP3 analog (IP4) for binding to the PIP3 binding protein. * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 18 [#6,#16]-[#8,#7]-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#7]:[#6]3:[#7]:2:[#6,#7]:[#6,#7]:[#6]:[#6,#7]:3):[#6]:[#7]:[#6]:1-[#8,#17] Row: 1941 Binding affinity for adenosine A2a receptor by using as [3H]ZM-241385 (2 nM) radioligand in membranes from HEK-A2A cells * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 36 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6]:[#6]:[#6](:[#6]:[#6]:3)-[#8]-[#6]-[#6]3:[#7]:[#6](-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4):[#7,#8]:[#8,#7]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 1942 Inhibition of human cathepsin S * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 18 [#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#8,#6]-[#6,#7]-[#6])-[#6](=[#8])-[#6]1:[#7]:[#7]:[#6](:[#8]:1)-[#6,#8] Row: 1943 Inhibition of human DPP4 * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 15 [#6,#16]-[#7]1-[#6]-[#6](-[#7])-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17,#9])-[#17,#9] Row: 1944 Binding affinity against adenosine A1 receptor in rat cortex by using [3H]- PIA as a radioligand * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 11 [#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7] Row: 1945 Binding affinity against Adenosine A2a receptor from rat brain tissue was determined using [3H]ZM-241385 as radioligand * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 24 [#7]-[#6]1:[#6,#7]:[#6](-[#7]-[#6]-[#6]2-[#6]-[#6]-[#6]-[#7]-2-[#6]-[#6]):[#7,#6]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 1946 Displacement of [3H]DPAT from human 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 15 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#7]:2 Row: 1947 Binding affinity to cloned human dopamine D3 receptor * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 25 [#7,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#6](:[#7,#6]:1)-[#6](-[#6,#9])(-[#6,#9])-[#6,#9] Row: 1948 Displacement of [3H]dofetilide from human ERG by fliter binding assay * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 16 [#8]=[#6](-[#8])-[#6](:[#6]:[#7]):[#6](:[#6]1:[#6]:[#6](:[#6](:[#6]:[#6]:1)-[#7])-[#9,#8])=[#8] Row: 1949 Inhibition constant against bovine trypsin * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 13 [#6,#8]-[#7,#6]1:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:1):[#6]:[#6](-[#6,#7](=[#7,#8])-[#7,#8]):[#6]:[#6] Row: 1950 Binding affinity to cloned human dopamine D2 receptor * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 25 [#7,#6]-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#7]:[#6](:[#7,#6]:1)-[#6](-[#6,#9])(-[#6,#9])-[#6,#9] Row: 1951 Displacement of [125I]apelin-13[Glp65,Nle75,Tyr77] from YFP epitope-tagged human APJ receptor expressed in HEK293 cell membranes incubated for 1 hr by Cheng-Prusoff equation analysis * postgresql://localhost/chembl_23 Mean nAts 101.8, mcs nAts: 56 [#6]-[#6,#16]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1)-[#7]-[#6](=[#8])-[#6](-[#7,#6])-[#6,#7]-[#8,#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#8] Row: 1952 Binding affinity to MMP1 * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#8])-[#7]-[#6]2(-[#6]-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1953 Binding affinity to MMP2 * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#8])-[#7]-[#6]2(-[#6]-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1954 Binding affinity to MMP9 * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#8])-[#7]-[#6]2(-[#6]-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1955 Binding affinity to MMP13 * postgresql://localhost/chembl_23 Mean nAts 37.2, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6](=[#8])-[#7]-[#6]2(-[#6]-[#6](=[#8])-[#7]-[#8])-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 1956 Inhibition of pig kidney alanyl aminopeptidase M1 using Ala-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis * postgresql://localhost/chembl_23 Mean nAts 17.1, mcs nAts: 8 [#7,#6]-[#6]-[#6](-[#7])-[#15](=[#8])(-[#8])-[#8,#6] Row: 1957 Displacement of [3H]RX821002 from human adrenergic alpha2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 15 [#6]-[#6](-[#8,#7,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6])-[#6]1=[#7]-[#6]-[#6]-[#7,#6,#8,#16]-1 Row: 1958 Displacement of [3H]RX821002 from human adrenergic alpha-2B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 15 [#6]-[#6](-[#8,#7,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6])-[#6]1=[#7]-[#6]-[#6]-[#7,#6,#8,#16]-1 Row: 1959 Displacement of [3H]RX821002 from human adrenergic Alpha-2C receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 15 [#6]-[#6](-[#8,#7,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6])-[#6]1=[#7]-[#6]-[#6]-[#7,#6,#8,#16]-1 Row: 1960 Antagonist activity at human TRPV1 expressed in CHO cells assessed as inhibition of capsaicin-induced (45)Ca2+ uptake after 5 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 43.5, mcs nAts: 36 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#7]-[#16,#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 1961 Displacement of [3H]RTX from human TRPV1 expressed in CHO cells after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 43.5, mcs nAts: 36 [#6]-[#6](-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#7]-[#16,#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#16](-[#6])(=[#8])=[#8] Row: 1962 Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta2 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 12 [#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8] Row: 1963 Displacement of [125I]iodo-(+/-)-cyanopindolol from human adrenergic beta1 receptor expressed in CHO cells after 3 hrs by radio-ligand binding assay * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 12 [#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8] Row: 1964 Inhibition of Cathepsin S * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 19 [#6]-[#6](-[#6]-[#7])-[#7]-[#6](=[#8])-[#8]-[#6](-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1965 Inhibition of human CA1 after 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 13 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#7](-[#6]-[#6]):[#6]:[#6]:[#6]:1=[#8] Row: 1966 Inhibition of recombinant rat FAAH preincubated for 3 hrs * postgresql://localhost/chembl_23 Mean nAts 21.1, mcs nAts: 8 [#8,#7]=,-[#6](-,=[#7,#6,#8])-[#7]1:[#6,#7]:[#6]:[#6]:[#7,#6]:1 Row: 1967 Inhibition of human CA2 after 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 13 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#7](-[#6]-[#6]):[#6]:[#6]:[#6]:1=[#8] Row: 1968 Inhibition of human CA9 after 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 13 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#7](-[#6]-[#6]):[#6]:[#6]:[#6]:1=[#8] Row: 1969 Inhibition of human CA12 after 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 13 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#7](-[#6]-[#6]):[#6]:[#6]:[#6]:1=[#8] Row: 1970 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 30 [#6,#7,#8]-,=[#6](-,=[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1)-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-2-[#6](-[#6])(-[#6])-[#6](=[#8])-[#7]-[#6] Row: 1971 Binding affinity to progesterone receptor (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 37.9, mcs nAts: 30 [#6,#7,#8]-,=[#6](-,=[#8,#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1)-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-2-[#6](-[#6])(-[#6])-[#6](=[#8])-[#7]-[#6] Row: 1972 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 10 [#6,#8]-,=[#6]1=,-[#6]-,=[#6](=,-[#8,#6])-,=[#7,#8]-[#16](-[#8,#7]-,=1)(=[#8])=[#8] Row: 1973 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 10 [#6,#8]-,=[#6]1=,-[#6]-,=[#6](=,-[#8,#6])-,=[#7,#8]-[#16](-[#8,#7]-,=1)(=[#8])=[#8] Row: 1974 Inhibition of human recombinant carbonic anhydrase 9 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 10 [#6,#8]-,=[#6]1=,-[#6]-,=[#6](=,-[#8,#6])-,=[#7,#8]-[#16](-[#8,#7]-,=1)(=[#8])=[#8] Row: 1975 Inhibition of human recombinant carbonic anhydrase 12 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 10 [#6,#8]-,=[#6]1=,-[#6]-,=[#6](=,-[#8,#6])-,=[#7,#8]-[#16](-[#8,#7]-,=1)(=[#8])=[#8] Row: 1976 Competitive inhibition of goat liver cathepsin B using BANA substrate by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 7 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1977 Competitive inhibition of goat liver cathepsin H using Leu-betaNA substrate by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 7 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 1978 Inhibition of Cathepsin K * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 19 [#6]-[#6](-[#6]-[#7])-[#7]-[#6](=[#8])-[#8]-[#6](-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1979 Inhibition of Cathepsin L * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 19 [#6]-[#6](-[#6]-[#7])-[#7]-[#6](=[#8])-[#8]-[#6](-[#6]-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#6](=,-[#8,#7])-,=[#7,#8] Row: 1980 Inhibition of human cloned CA1 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1981 Inhibition of human cloned CA2 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1982 Inhibition of human cloned CA9 catalytic domain by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1983 Inhibition of human cloned CA12 catalytic domain by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1984 Inhibition of human carbonic anhydrase 7 preincubated with compound for 15 mins by carbon dioxide hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 10 [#6,#7]-[#6,#7,#16]-[#6,#7,#8]-[#7,#6]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1985 Displacement of [3H]dopamine from human DAT expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 21 [#8,#9]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1986 Displacement of [3H]nisoxetine from human NET expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 21 [#8,#9]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1987 Displacement of [3H]citalopram from human SERT expressed in HEK293 cells by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 21 [#8,#9]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1988 Displacement of [3H]FFRF-NH2 from human flag-tagged NPFF2 receptor expressed in CHO cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 26 [#7]=[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#7])=[#8] Row: 1989 Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 25 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 1990 Affinity against HIV protease * postgresql://localhost/chembl_23 Mean nAts 49.0, mcs nAts: 9 [#6,#7,#8]-,=[#7,#6]-[#16,#6,#7]-[#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-[#6,#7]:,-1 Row: 1991 Binding affinity towards Lysophosphatidic acid 1 (LPA1) receptor * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 42 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]=[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#8,#6]-[#15](=[#8])(-[#8])-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:1 Row: 1992 Inhibition of wild type Arabidopsis thaliana acetohydroxyacid synthase * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 24 [#6]-[#7]1:[#7]:[#6](-[#6]):[#6]2:[#6](:[#6]:1=[#8]):[#6](:[#6]:[#6]:[#6]:2)-[#8]-[#6]1:[#7]:[#6](-[#8]-[#6]):[#6]:[#6](:[#7]:1)-[#8]-[#6] Row: 1993 Inhibition of wild type Arabidopsis thaliana acetolactate synthase by colorimetry * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 20 [#6,#8]-[#6]1:[#6,#7]:[#6]:[#7]2:[#6](:[#7,#6]:1):[#7]:[#6](:[#7]:2)-[#16](=[#8])(=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 1994 Inhibition of human carbonic anhydrase 2 preincubated with compound for 15 mins by carbon dioxide hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 10 [#6,#7]-[#6,#7,#16]-[#6,#7,#8]-[#7,#6]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1995 Binding affinity to aryl hydrocarbon receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 19.8, mcs nAts: 16 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6]1:[#6]:[#6](-[#9,#6,#8,#17]):[#6]:[#6](:[#6]:1)-[#9,#6,#8,#17] Row: 1996 Inhibitory activity against ErmAM methylase * postgresql://localhost/chembl_23 Mean nAts 24.3, mcs nAts: 9 [#7,#6,#8,#16]-[#6]1:[#7,#6]:[#6](-[#7]):[#7,#6]:[#6](:[#7]:1)-[#7,#6] Row: 1997 Inhibition of human carbonic anhydrase 1 preincubated with compound for 15 mins by carbon dioxide hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 10 [#6,#7]-[#6,#7,#16]-[#6,#7,#8]-[#7,#6]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 1998 Displacement of [3H]CP-55940 from human cannabinoid CB2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 31 [#6]-[#7]-[#6](=[#7]-[#16](=[#8])(=[#8])-[#7,#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#7,#6]1-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6,#7](=,-[#7]-,=1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17] Row: 1999 Binding affinity to human cytoplasmic ThrRS by coupled spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 19 [#6]-[#6](=,-[#8])-[#7,#6]-[#16,#6]-[#6,#7]=,-[#6,#7,#16]-[#6,#7](:,-[#6]:,-[#6]:[#6]:[#6]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6]:[#7,#6]:1):,-[#6] Row: 2000 Binding affinity to Yersinia pestis ThrRS by coupled spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 19 [#6]-[#6](=,-[#8])-[#7,#6]-[#16,#6]-[#6,#7]=,-[#6,#7,#16]-[#6,#7](:,-[#6]:,-[#6]:[#6]:[#6]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6]:[#7,#6]:1):,-[#6] Row: 2001 Displacement of [125I]-CXCL12 from human CXCR7 expressed in HEK293 cells after 3 hrs * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 22 [#6]1:[#6]:[#6](-[#6](=[#8])-[#7](-[#6]-[#6]-[#6])-[#6]-[#6](-[#6])=[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:[#6]:1 Row: 2002 Displacement of [3H]CP-55940 from human cannabinoid CB1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 31 [#6]-[#7]-[#6](=[#7]-[#16](=[#8])(=[#8])-[#7,#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1)-[#6,#7]1=,-[#7]-,=[#7,#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17])-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2003 Binding affinity towards human factor Xa * postgresql://localhost/chembl_23 Mean nAts 37.3, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#7]2:,-[#6]:,-[#7,#6]:,=[#6]3:,-[#6]:,-2:,-[#6,#7]:,=[#6,#7]:,-[#6,#7]:,=[#6,#7]:,-3):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#7])-[#7] Row: 2004 Binding affinity towards human factor IXa * postgresql://localhost/chembl_23 Mean nAts 37.3, mcs nAts: 33 [#6]-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#7]2:,-[#6]:,-[#7,#6]:,=[#6]3:,-[#6]:,-2:,-[#6,#7]:,=[#6,#7]:,-[#6,#7]:,=[#6,#7]:,-3):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#7])-[#7] Row: 2005 Inhibition of human factor 10a by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 19 [#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]1-[#6]-[#6]-[#6](-[#6]-1=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6] Row: 2006 Displacement of [125I]peptide YY from human NPY5 receptor * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 19 [#6]-[#6](-[#6])-[#16](=[#8])(=[#8])-[#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]-[#6,#7] Row: 2007 Displacement of [3H]SYM2081 from rat recombinant iGluR5-1b expressed in baculovirus-infected insect Sf9 cells * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 13 [#7]-[#6](-[#6]-[#6,#7]1:[#6]:[#6]:[#6]:[#6,#7](:[#6]:1)-[#6])-[#6](=[#8])-[#8] Row: 2008 Displacement of [3H]SCH23390 from human D1 receptor expressed in Ltk cell * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 14 [#6,#7,#16]-[#7,#6]1-,=[#6,#7]-[#6]-[#6]:,-[#6](-,:[#6]-[#6,#7]-1):[#6]:[#6](:[#6](:[#6])-[#8,#17])-[#17,#8] Row: 2009 Competitive binding to RAP1 (unknown origin) incubated for 1 hr by fluorescence polarization-based binding assay * postgresql://localhost/chembl_23 Mean nAts 124.7, mcs nAts: 47 [#6]-[#6,#7]-[#6](-,=[#6,#8])-[#6](-[#7,#6]-[#6]=,-[#8,#6])-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#7,#6]-[#6](-[#6]-[#6])-[#6,#7]-[#7,#6]-[#6](-[#6]-[#6]-[#6,#16]-[#6])-[#6,#7]-[#7,#6]-[#6](-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#7,#6]-[#6](-[#6]-[#6])-[#6,#7]-[#7,#6]-[#6](-[#6])-[#6,#7]-[#7,#6]-[#6](-[#6,#7])-[#6](=,-[#8,#6])-[#7,#8])-[#6]-[#8,#6] Row: 2010 In vitro binding affinity for rat TRPV1 expressed in CHO cells using [3H]-RTX * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 17 [#6]-[#6]-[#7]=,-[#6](-,=[#16])-,=[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6])(-[#6])-[#6] Row: 2011 Inhibition of GRK5 (unknown origin) after 90 to 120 mins by Kinase-Glo assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 20 [#8]=[#6](-[#6]-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#8,#16,#17])-[#7]-[#7]=[#6]-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1 Row: 2012 Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6]1:[#7,#6]:[#6,#7](-[#6]):[#6,#7]:[#6,#7]:1-[#6] Row: 2013 Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6]1:[#7,#6]:[#6,#7](-[#6]):[#6,#7]:[#6,#7]:1-[#6] Row: 2014 Inhibition of human carbonic anhydrase 1 preincubated for 10 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6]1:[#7,#6]:[#6,#7](-[#6]):[#6,#7]:[#6,#7]:1-[#6] Row: 2015 Inhibition of GRK3 (unknown origin) after 90 to 120 mins by Kinase-Glo assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 20 [#8]=[#6](-[#6]-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#8,#16,#17])-[#7]-[#7]=[#6]-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6]:1 Row: 2016 Inhibition of human leukocyte elastase after 20 mins * postgresql://localhost/chembl_23 Mean nAts 21.9, mcs nAts: 14 [#6]-[#6]1(-[#6])-[#6](=[#8])-[#7](-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1 Row: 2017 Inhibition of serotonin reuptake at human SERT expressed in HEK293 cells coexpressing macrophage scavenger receptor * postgresql://localhost/chembl_23 Mean nAts 16.6, mcs nAts: 14 [#7,#6,#16]-[#6,#7,#16]-[#6]-[#6]-[#6](:[#6]:[#7]):[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6] Row: 2018 BindingDB_Patents: Radioligand Binding Assay. Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 24 [#8,#6,#7,#9]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1-[#6](=[#8])-[#7]1-[#6]-[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:2)-[#6]-[#6]-[#6]-1-[#6] Row: 2019 BindingDB_Patents: Inhibition Assay. The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 25 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 23 [#8]=[#6](-[#7]-[#6]1:[#6,#16]:[#6,#7]:[#7]:[#7,#6]:1-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#7]:[#7]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2 Row: 2020 BindingDB_Patents: Inhibition Assay. The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 25 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 23 [#8]=[#6](-[#7]-[#6]1:[#6,#16]:[#6,#7]:[#7]:[#7,#6]:1-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#7]:[#7]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2 Row: 2021 Displacement of [3H](+)-pentazocine ((+)-[2S-(2R,6R,11R)]-1,2,3,4,5,6-hexahydro-6,11-dimethyl- 3-(3-methyl-2-butenyl)-2,6-methano-3-benzazocine- 8-ol) from sigma 1 receptor in Dunkin guinea pig brain membrane by radioreceptor binding assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 9 [#6,#8]-,=[#6,#8]-[#7,#6](-,:[#6]-,:[#6]-[#7,#6]-[#6,#7,#8])-,:[#6]-,:[#6] Row: 2022 Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 20 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2023 Displacement of [3H]histamine from human histamine H4 receptor expressed in human SK-N-MC cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 12 [#7]=,-[#6](-,=[#7])-[#16,#7]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2024 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in human SK-N-MC cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 12 [#7]=,-[#6](-,=[#7])-[#16,#7]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2025 Inhibition of maize PAO at pH 6.5 by spectrophotometry-based Dixon plot method * postgresql://localhost/chembl_23 Mean nAts 20.2, mcs nAts: 9 [#7,#6]=,-[#6](-,=[#7,#6])-,=[#7,#6]-[#6]-[#6,#7]-[#6]-[#6,#7]-[#7,#6] Row: 2026 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain membrane by scintillation analysis * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 10 [#6]=,-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6,#8] Row: 2027 BindingDB_Patents: Enzyme Inhibition Assay. Determination of the enzymatic activity of the catalytic domain of human Cathepsin S. This protein is obtained as an inactive enzyme from R and D Systems, Wiesbaden, Germany (catalog No. 1183-CY). * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 17 [#6,#9]-[#6](-[#9,#6])-[#6]-[#6](-[#7]-[#6,#16](=[#8])-,=[#7,#6,#8])-[#6](=[#8])-[#7]-[#6]1(-[#6]#[#7])-[#6]-[#6]-1 Row: 2028 Inhibitory activity against human carbonic anhydrase I expressed in Escherichia coli BL21 * postgresql://localhost/chembl_23 Mean nAts 19.2, mcs nAts: 8 [#6,#7,#16]1:,-[#6]:,-[#6,#7]:,-[#6](:,-[#6,#7]:[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8] Row: 2029 Binding affinity to human recombinant CB2 receptor expressed in african green monkey COS cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 20 [#6]-[#6]-[#6,#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8,#6] Row: 2030 Binding affinity to human recombinant CB1 receptor expressed in african green monkey COS cells by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 20 [#6]-[#6]-[#6,#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8,#6] Row: 2031 Displacement of [3H]spiperone from rat cloned dopamine D3 receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 19 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#6]1-[#6]-[#6]-[#6]:[#6]-[#6]-1 Row: 2032 Displacement of [3H]spiperone from rat cloned dopamine D2L receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 19 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6])-[#6]1-[#6]-[#6]-[#6]:[#6]-[#6]-1 Row: 2033 Displacement of [3H]CGS-21680 from recombinant human adenosine A2a receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 20 [#7]-[#6]1:[#7]:[#6](-[#6,#7,#17]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2034 Binding affinity towards Adenosine A1 receptor of rat cerebral cortex using [3H]-DPCPX as radioligand * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 19 [#7]-[#6]1:[#7]:[#6](-[#6]#[#6]-[#6]-[#8,#6,#7]):[#6]:[#7]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 2035 BindingDB_Patents: Inhibition Assay. The activity of the isolated JAK1, JAK2 or TYK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 1.5 nM JAK1, 0.2 nM purified JAK2 or 1 nM purified TYK2 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 25 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. * postgresql://localhost/chembl_23 Mean nAts 29.4, mcs nAts: 23 [#8]=[#6](-[#7]-[#6]1:[#6,#16]:[#6,#7]:[#7]:[#7,#6]:1-[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-[#6]1:[#6]:[#7]:[#7]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2 Row: 2036 Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 15 [#6]-[#7](-[#6]-[#6]-[#6](-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6]:[#6]:1)-[#6]-[#8])-[#6] Row: 2037 Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 15 [#6]-[#7](-[#6]-[#6]-[#6](-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6]:[#6]:1)-[#6]-[#8])-[#6] Row: 2038 Displacement of [3H]haTRAP from PAR1 in human platelets * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 34 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7]-[#6]1-[#6]-[#6]-[#6]2-[#6](-[#6]-1)-[#6]-[#6]1-[#6](=[#8])-[#8]-[#6](-[#6]-1-[#6]-2-[#6]=[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6,#8,#17])-[#6] Row: 2039 Displacement of [3H]spiperone from human D2 short receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2040 Displacement of [3H]dofetilide from HEK cells expressing hERG voltage dependent IKr potassium channel Kv11.1 * postgresql://localhost/chembl_23 Mean nAts 24.1, mcs nAts: 16 [#6]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]:1-[#6]1-[#6,#7]-[#7,#6]-[#6,#7]-[#6,#7]-[#6]-1 Row: 2041 Displacement of [3H]spiperone from human D2 long receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2042 BindingDB_Patents: In Vitro Assay. The effectiveness of compounds of the present invention as inhibitors of the coagulation Factors XIa, VIIa, IXa, Xa, XIIa, plasma kallikrein or thrombin, can be determined using a relevant purified serine protease, respectively, and an appropriate synthetic substrate. The rate of hydrolysis of the chromogenic or fluorogenic substrate by the relevant serine protease was measured both in the absence and presence of compounds of the present invention. Assays were conducted at room temperature or at 37° C. Hydrolysis of the substrate resulted in the release of pNA (para nitroaniline), which was monitored spectrophotometrically by measuring the increase in absorbance at 405 nm, or the release of AMC (amino methylcoumarin), which was monitored spectrofluorometrically by measuring the increase in emission at 460 nm with excitation at 380 nm. A decrease in the rate of absorbance or fluorescence change in the presence of inhibitor is indicative of enzyme inhibition. * postgresql://localhost/chembl_23 Mean nAts 41.5, mcs nAts: 15 [#6]-[#7]1-[#6]-[#6]-[#6,#7](-[#8,#6,#7]-[#6]-1=[#8])-[#6]1:[#6,#7]:[#6]:[#6]:[#6](:[#6]:1)-[#17] Row: 2043 Displacement of [3H]CHA binding to Adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 23 [#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]-,=[#6,#7,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 2044 Displacement of (+)- [3H]pentazocine from sigma 1 receptor expressed in guinea pig brain membrane homogenates by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 20 [#8,#6]=,-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#8] Row: 2045 Competitive inhibition of Spiroplasma sp. MQ1 SssI methyltransferase using pUC18 as substrate measured for 10 mins by Dixon plot analysis * postgresql://localhost/chembl_23 Mean nAts 17.9, mcs nAts: 10 [#8]=,-[#6]1-,:[#7,#6]=,:[#6](-[#7,#6]-[#6,#8,#16]-[#6])-,:[#7,#6]-,:[#6]-,:[#7,#6]-,:1 Row: 2046 BindingDB_Patents: Binding Assay. Binding assay using NET, DAT and SERT enzyme. * postgresql://localhost/chembl_23 Mean nAts 16.3, mcs nAts: 14 [#6]-[#7]1-[#6]-[#6]2-[#6]-[#6]-2(-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#17] Row: 2047 Inhibition of human MAO-B expressed in BTI insect cells using p-tyramine as substrate after 60 mins * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 20 [#7]-,=[#6](=,-[#8,#7,#16])-[#7]1-[#7]=[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1 Row: 2048 BindingDB_Patents: Binding Assay. Transfected HEK 293(ebna) cells are maintained in culture, harvested and membranes are prepared by differential centrifugation, following lysis of the cells in the presence of protease inhibitors, for use in receptor binding assays. Prostanoid receptor binding assays (for DPI, DP2 (CRTH2), EPl, EP2, EP3-III, EP4, FP, IP, and TP) are performed in 10 mM MES/KOH (pH 6.0) (EPs, FP and TP) or 10 mM HEPES/KOH (pH 7.4) (DPs and IP), containing 1 mM EDTA, 2.5-30 mM divalent cation and the appropriate radioligand. Synthetic compounds are added in dimethylsulfoxide which is kept constant at 1 % (v/v) in all incubations. The reaction is initiated by addition of membrane protein. Non-specific binding is determined in the presence of 10 uM of the corresponding non-radioactive prostanoid . Incubations are conducted for 60-90 min at room temperature or 30 0C and terminated by rapid filtration. Specific binding is calculated by subtracting non specific binding from total binding. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 23 [#6](-[#7]-[#6](=[#8])-[#6]1:[#6,#16]:[#16,#6]:[#6]:[#6]:1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6] Row: 2049 Displacement of [3H]CGS-21680 binding to Adenosine A2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 23 [#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]-,=[#6,#7,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 2050 BindingDB_Patents: Radioligand Dose-Displacement Binding Assay. Membranes from recombinant HEK-293 cells expressing the human kippa opioid receptor (cloned in house) were prepared by lysing cells in ice cold hypotonic buffer (2.5 mM MgCl2, 50 mM HEPES, pH 7.4) (10 mL/10 cm dish) followed by homogenization with a tissue grinder/Teflon pestle. Membranes were collected by centrifugation at 30,000xg for 15 min at 4 C. and pellets were resuspended in hypotonic buffer to a final concentration of 1-3 mg/mL. Protein concentrations were determined using the BioRad protein assay reagent with bovine serum albumen as standard. Aliquots of kippa receptor membranes were stored at -80 C.Radioligand dose displacement assays used 0.4 nM [3H]-U69,593 (GE Healthcare, Piscataway, N.J.; 40 Ci/mmole) with 15 ug membrane protein (recombinant K opioid receptor expressed in HEK 293 cells; in-house prep) in a final volume of 200 ul binding buffer (5% DMSO, 50 mM Trizma base, pH 7.4). * postgresql://localhost/chembl_23 Mean nAts 38.7, mcs nAts: 32 [#6]-[#8]-[#6]12-[#6]-[#6]-[#6]3(-[#6]-[#6]-1-[#6]-[#8]-[#6]-[#6])-[#6]14-[#6]-2-[#8]-[#6]2:[#6]-1:[#6](-[#6]-[#6]-3-[#7](-[#6]-[#6]-4)(-[#6])-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6]:[#6]:2-[#8] Row: 2051 Inhibition of [125I]- AB-MECA binding to human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 18 [#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#7,#8,#16]-[#6]1:[#7]:[#6]2:[#7]:[#6]:[#7]:[#6]-,:2:[#6](:[#7]:1)-[#7]-[#6] Row: 2052 Displacement of [3H](+)-pentazocine from sigma 1 receptor in rat liver membranes * postgresql://localhost/chembl_23 Mean nAts 23.9, mcs nAts: 13 [#8]=[#6]1:[#16]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:1-[#6]-[#6]-[#7,#6] Row: 2053 Displacement of [125I]AB-MECA binding to Adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 23 [#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]-,=[#6,#7,#8])-[#6](-[#6]-1-[#8])-[#8] Row: 2054 BindingDB_Patents: Enzyme Inhibition Assay. Determination of the enzymatic activity of the catalytic domain of human Cathepsin B. This protein is obtained as an inactive enzyme from Sigma, Wiesbaden, Germany (catalog No. C8571). * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 17 [#6,#9]-[#6](-[#9,#6])-[#6]-[#6](-[#7]-[#6,#16](=[#8])-,=[#7,#6,#8])-[#6](=[#8])-[#7]-[#6]1(-[#6]#[#7])-[#6]-[#6]-1 Row: 2055 BindingDB_Patents: Radioligand Binding Assay. Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430. * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 24 [#8,#6,#7,#9]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1-[#6](=[#8])-[#7]1-[#6]-[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:2)-[#6]-[#6]-[#6]-1-[#6] Row: 2056 Binding affinity towards human immunodeficiency virus type 1 protease determined using continuum electrostatics solvation * postgresql://localhost/chembl_23 Mean nAts 44.0, mcs nAts: 28 [#6,#7,#8]-,=[#6](-,=[#6,#7,#8])-[#6](-[#7]-[#6](=[#8])-[#6]-[#6,#7]-[#6](-,=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7,#6]-[#6](=,-[#8])-[#8,#6]-[#6,#7]-[#6])-[#6](-[#7,#6])=,-[#8,#6] Row: 2057 Binding affinity for aryl hydrocarbon receptor (AhR) of rabbit liver cytosol incubated with 0.2 nM [3H]-TCDD; Antagonist * postgresql://localhost/chembl_23 Mean nAts 19.6, mcs nAts: 16 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]=[#6]-[#6]1:[#6]:[#6](-[#17,#6,#8,#9]):[#6]:[#6](:[#6]:1)-[#17,#6,#8,#9] Row: 2058 Inhibition of thrombin (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 37 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#7]:[#6]:3)-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:[#6]:1-[#8]-[#6](-[#6])-[#6] Row: 2059 Inhibition of factor 10a (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 37 [#6]-[#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#7]:[#6]:3)-[#6](=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:[#6]:1-[#8]-[#6](-[#6])-[#6] Row: 2060 Binding affinity for corticotropin-releasing factor-1 expressed in leukocyte tyrosine kinase cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6,#7]:1)-[#7]1:[#6](=[#8]):[#7]2:[#6]3:[#6]:1:[#7]:[#6](:[#6]:[#6]:3-[#7](-[#6]-[#6]-2)-[#6]-[#6])-[#6] Row: 2061 Inhibition of C-terminal His6-tagged human Eg5 basal ATPase activity * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 21 [#6]-[#6](-[#16]-[#6]-[#6](-[#7])-[#6](=[#8])-[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2062 Inhibition of adrenergic alpha2B receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 2063 Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#7,#9] Row: 2064 Inhibitory constant for human cloned 5-HT4 receptor * postgresql://localhost/chembl_23 Mean nAts 35.2, mcs nAts: 32 [#8]=[#6](-[#7]-[#6]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-[#8]-[#6]-[#6]-[#8]-2 Row: 2065 Displacement of [3H]NAMH from human full length histamine H3 receptor expressed in rat C6 cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 26 [#6,#8]-,=[#6]1-[#6]2-[#6]-[#6]-[#6]3-[#6]-2(-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]=[#6]3-[#6]-2(-[#6]-[#6]-[#6](-[#6]-3)-[#7](-[#6,#16])-[#6,#16])-[#6])-[#6]-[#7]-1-[#6] Row: 2066 Binding affinity towards Lysophosphatidic acid 3 (LPA3) receptor * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 42 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]=[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](=[#8])-[#7]-[#6](-[#6]-[#8,#6]-[#15](=[#8])(-[#8])-[#8])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6,#7]:[#7,#6]:1 Row: 2067 Inhibition of Mycobacterium tuberculosis recombinant MbtA expressed in Escherichia coli by ATP-PPi exchange assay * postgresql://localhost/chembl_23 Mean nAts 40.5, mcs nAts: 32 [#7,#8]-,=[#6]1:[#7,#6]:[#6]:[#7,#6]:[#6]2:[#6]:1:[#7,#6]:[#6]:[#7]:2-[#6]1-[#8,#6]-[#6](-[#6]-[#8]-[#16](=[#8])(=[#8])-[#7]-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 2068 Displacement of [3H]PGD2 from mouse prostanoid DP receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.8, mcs nAts: 32 [#6]-[#7]1-[#6]-[#6](-[#6]-[#8]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6,#16](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6]-[#6](=[#8])-[#8])-[#8]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2069 Displacement of [3H]-spiperone from human dopamine D2L receptor expressed in CHO cell membranes after 3 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 12 [#6,#7,#8]-[#7,#6,#8]-[#6,#7]-[#7,#6]-[#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#6]-[#6,#7] Row: 2070 Displacement of [3H]DAMGO from human recombinant mu opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 27 [#6]-[#6]1-[#6]-[#6]2(-[#6])-[#6]3-[#6](=[#8])-[#6](-[#8]-[#6](-[#6])=[#8])-[#6]-[#6](-[#6]-3(-[#6])-[#6]-[#6]-[#6]-2-[#6](-[#8]-1)=[#8])-[#6](=[#8])-[#8]-[#6] Row: 2071 Displacement of [3H]-CP55940 from human CB2 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 15 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1:[#6,#7]:[#6](-[#6]=,-[#8,#7]):[#6]:[#6]:1 Row: 2072 Displacement of [3H]PGE2 from human prostanoid EP4 receptor expressed in HEK293-EBNA cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 30 [#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-,:[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1)-,:[#6]-,:[#6]-,:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#8] Row: 2073 Inhibitory constant against human Coagulation factor Xa * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6]1:[#7]:[#6]2:[#6](-[#7]-[#6]-[#6]-[#6]3-,:[#6,#7]-,:[#6]-,:[#6]-,:[#6]-,:[#7,#6]-,:3):[#7,#6]:[#6]:[#6]:[#6]:2:[#8]:1 Row: 2074 Inhibition of [3H]CGS-21680 binding to adenosine A2a receptor of human striatal membrane * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 14 [#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6](:[#6]:2-[#8,#7,#16,#17])-[#6]-,=[#6,#7,#8] Row: 2075 Inhibition of [3H]CHA binding to adenosine A1 receptor of human brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 14 [#6,#7]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6](:[#6]:2-[#8,#7,#16,#17])-[#6]-,=[#6,#7,#8] Row: 2076 Displacement of [3H]CP-55940 from human cloned CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 15 [#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8])-[#35,#6] Row: 2077 Inhibition of human HGPRT using Prib-PP as substrate by spectrophotometric assay in presence of guanine * postgresql://localhost/chembl_23 Mean nAts 24.1, mcs nAts: 22 [#7,#6,#8,#15]#,-,=[#6]-[#6]-[#7](-[#6]-[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2=[#8])-[#6]-[#6]-[#15](=[#8])(-[#8])-[#8] Row: 2078 Displacement of [3H]CP-55940 from human cloned CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 27.3, mcs nAts: 15 [#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8])-[#35,#6] Row: 2079 Binding affinity to human recombinant TP receptor by radioligand competition binding assay * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 17 [#7]1:[#6]:[#6](-[#16,#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1:[#6]:[#6](:[#6]:[#6]:2)-[#9] Row: 2080 Displacement of [3H]spiroperidol from rat cloned dopamine D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 13 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6,#7])-[#6]1-[#6]-[#6]-[#6]:[#6]-[#6]-1 Row: 2081 Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in CHO cell membranes after 60 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 12 [#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#7](:[#7]:2)-[#6] Row: 2082 Displacement of [3H]MPEP from human cloned mGluR5 receptor expressed in CHO-T-Rex cells after 60 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 8 [#6,#7,#8]#,-,=[#6,#7]-,=[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-1 Row: 2083 Displacement of [3H]spiroperidol from rat cloned dopamine D2L receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 13 [#6]-[#6]-[#6]-[#7](-[#6]-[#6]-[#6,#7])-[#6]1-[#6]-[#6]-[#6]:[#6]-[#6]-1 Row: 2084 Displacement of [3H]DADLE from human recombinant delta opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 27 [#6]-[#6]1-[#6]-[#6]2(-[#6])-[#6]3-[#6](=[#8])-[#6](-[#8]-[#6](-[#6])=[#8])-[#6]-[#6](-[#6]-3(-[#6])-[#6]-[#6]-[#6]-2-[#6](-[#8]-1)=[#8])-[#6](=[#8])-[#8]-[#6] Row: 2085 Displacement of [3H]spiperone from human D3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2086 Displacement of [3H]U69593 from human recombinant kappa opioid receptor expressed in CHO cells after 2 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.6, mcs nAts: 27 [#6]-[#6]1-[#6]-[#6]2(-[#6])-[#6]3-[#6](=[#8])-[#6](-[#8]-[#6](-[#6])=[#8])-[#6]-[#6](-[#6]-3(-[#6])-[#6]-[#6]-[#6]-2-[#6](-[#8]-1)=[#8])-[#6](=[#8])-[#8]-[#6] Row: 2087 The binding affinity measured using baculovirus-expressed hPR-A in sf21 cells. * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 16 [#6,#7]1-,:[#6](-,:[#6]-,:[#6]-,:[#6]2=,:[#6]-[#6](=,-[#8,#6])-[#6,#8]-[#6]-,:[#6]-2)-,:[#6,#7]-[#6]-,=[#6]-,=[#6]-1-[#6] Row: 2088 Displacement of [3H]spiperone from human D4.4 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2089 Displacement of [3H]SCH23390 from pig D1 receptor in striatal membrane * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2090 Inhibition of human recombinant Abl * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 22 [#8]=[#6](-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#6,#16]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2091 Inhibition of recombinant human c-Src * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 22 [#8]=[#6](-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#6,#16]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2092 Displacement of [3H]prazosin from pig adrenergic alpha1 receptor in cerebral cortex homogenate * postgresql://localhost/chembl_23 Mean nAts 57.9, mcs nAts: 20 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#8]-[#6] Row: 2093 Inhibition of human MAO-A expressed in BTI insect cells using p-tyramine as substrate after 60 mins * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 20 [#7]-,=[#6](=,-[#8,#7,#16])-[#7]1-[#7]=[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1 Row: 2094 Displacement of [125I]BE-2254 from human adrenergic Alpha-1B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 16 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8] Row: 2095 Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 17.2, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#7]:[#7]:1 Row: 2096 Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 17.2, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#7]:[#7]:1 Row: 2097 Displacement of [3H]dofetilide from human ERG channel expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 26 [#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2098 Displacement of [3H]ketanserin from human 5HT2A receptor expressed in Swiss 3T3 cells * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 26 [#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2099 Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 17.2, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6](-[#6](=[#8])-[#8]):[#7]:[#7]:1 Row: 2100 Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#7,#9] Row: 2101 Inhibition of human PNMT by radiochemical assay * postgresql://localhost/chembl_23 Mean nAts 11.8, mcs nAts: 2 [#7,#6,#8,#9,#35]-,=,#[#6,#7] Row: 2102 Displacement of [125I]BE-2254 from human adrenergic alpha1A receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 16 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8] Row: 2103 Inhibition of recombinant human carbonic anhydrase 2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]=[#6]1-[#6](=[#8])-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2104 Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 17.2, mcs nAts: 14 [#8]=[#6](-[#8])-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1 Row: 2105 Inhibition of human carbonic anhydrase 14 preincubated with compound for 15 mins by carbon dioxide hydration assay * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 10 [#6,#7]-[#6,#7,#16]-[#6,#7,#8]-[#7,#6]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2106 Displacement of [3H]-(+)-pentazocine from sigma-1 receptor in guinea pig brain homogenates * postgresql://localhost/chembl_23 Mean nAts 20.4, mcs nAts: 15 [#7]-[#6]-[#6]-[#6]1-[#6]-[#6]-[#8]-[#6](-[#8]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2107 Inhibition of recombinant human carbonic anhydrase 1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=[#6]1-[#6](=[#8])-[#7]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2108 Binding affinity at human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2109 Binding affinity at human SERT * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2110 Binding affinity at rat SERT * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 19 [#6]-[#7](-[#6])-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2111 Inhibitory activity against human IDO * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 6 [#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2112 Binding affinity to thrombin * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 11 [#6,#7,#8]-,=[#7,#6]-[#6,#16](=,-[#8,#7])-[#6]-[#7,#6]1:[#6]:[#6]:[#7,#6]:[#6]:[#6]:1 Row: 2113 Displacement of [3H]naltrindole from human delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 42.7, mcs nAts: 20 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6]23-[#6](-[#6]-1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]-2:1)-[#8,#7])-[#6]-[#6]-[#6]-[#6]-3 Row: 2114 Displacement of [125I]Tyr-o-CRF from CRF1 receptor in rat frontal cortex homogenates * postgresql://localhost/chembl_23 Mean nAts 31.4, mcs nAts: 26 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6](:[#6](:[#6]:1)-[#6])-[#7]-[#6]1:[#7]:[#6](-[#6]):[#6]:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2115 Displacement of [3H]mesulergine from 5-HT2C receptor in Sprague-Dawley rat choroid plexus membranes after 30 mins by liquid scintillation spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 18 [#6]-[#7]-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2116 Displacement of [3H]nisoxetine from NET in rat frontal cortex by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 22 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#8]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2117 Displacement of [3H]citalopram from SERT in rat brain stem by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 22 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#8]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2118 Displacement of [3H]diprenorphine from human cloned mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 17 [#6]-[#6]1-[#6]-[#6](-[#6])(-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#8])-[#6](-[#6]-[#7]-1-[#6])-[#6] Row: 2119 Displacement of [3H]diprenorphine from human cloned kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 17 [#6]-[#6]1-[#6]-[#6](-[#6])(-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#8])-[#6](-[#6]-[#7]-1-[#6])-[#6] Row: 2120 Displacement of [3H]diprenorphine from human cloned delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 25.7, mcs nAts: 17 [#6]-[#6]1-[#6]-[#6](-[#6])(-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#8])-[#6](-[#6]-[#7]-1-[#6])-[#6] Row: 2121 Displacement of [3H]N-alpha-methylhistamine from human cloned histamine H3 receptor expressed in C6 cells * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 21 [#7,#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]#[#7] Row: 2122 Compound was tested for binding affinity against HIV-1 Protease * postgresql://localhost/chembl_23 Mean nAts 48.1, mcs nAts: 38 [#8]=[#6]1-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6](-[#6](-[#7]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8] Row: 2123 Binding affinity at human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#7]3-[#6]-[#6]-[#6,#8]-[#6]-[#6]-3):[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2124 Binding affinity at human SERT * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#7]3-[#6]-[#6]-[#6,#8]-[#6]-[#6]-3):[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2125 Binding affinity at rat SERT * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#6]-[#7]1-[#6]-[#6]2:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#7]3-[#6]-[#6]-[#6,#8]-[#6]-[#6]-3):[#6]:[#6]:[#6]:2-[#6](-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2126 Displacement of [125I]NT at rat NTS2 overexpressed in CHOK1 cells after 30 mins by gamma counting * postgresql://localhost/chembl_23 Mean nAts 41.9, mcs nAts: 12 [#6,#7]1:,-[#6,#7]:,-[#6,#7](-[#6](=[#8])-[#7,#6]-[#6,#7]-[#6](=[#8])-[#8,#6]):,-[#7,#6]:,-[#7,#6]:,-1 Row: 2127 Displacement of [3H]QNB from human muscarinic M5 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 10 [#6,#8]1:,-[#6,#7,#8]:,-,=[#6,#7](-[#8,#6]-[#6]-,#[#6]#,-[#6]-[#6,#7,#8]):,-[#7,#6,#8]:,-[#8,#6]:,-1 Row: 2128 Displacement of [3H]QNB from human muscarinic M2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 22.6, mcs nAts: 10 [#6,#8]1:,-[#6,#7,#8]:,-,=[#6,#7](-[#8,#6]-[#6]-,#[#6]#,-[#6]-[#6,#7,#8]):,-[#7,#6,#8]:,-[#8,#6]:,-1 Row: 2129 Inhibition of human carbonic anhydrase 12-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2130 Inhibition of human HGPRT using xanthine/PRPP assessed as xanthine/guanine conversion to xanthosine-5'-monophosphate/guanosine-5'-monophosphate by spectrophotometry in presence of PRPP * postgresql://localhost/chembl_23 Mean nAts 20.8, mcs nAts: 17 [#8]=[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6,#7]:[#6]:2-[#6]-[#7,#6]-[#6,#7]-[#6]-[#8,#6]-[#15,#6,#8]=,-[#8,#6,#15] Row: 2131 Inhibitory activity against ErmC methylase * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 10 [#6]-[#16,#7]-[#6]1:[#7,#6]:[#6](-[#7,#6,#8]):[#7]:[#6](:[#7,#6]:1)-[#7,#6] Row: 2132 Inhibition of human carbonic anhydrase 9-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2133 Inhibition of human carbonic anhydrase 2-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2134 BindingDB_Patents: Enzyme Inhibition Assay. Determination of the enzymatic activity of the catalytic domain of human Cathepsin K. This protein is obtained as an inactive enzyme from Sanofi-Aventis, Frankfurt, Germany. * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 17 [#6,#9]-[#6](-[#9,#6])-[#6]-[#6](-[#7]-[#6,#16](=[#8])-,=[#7,#6,#8])-[#6](=[#8])-[#7]-[#6]1(-[#6]#[#7])-[#6]-[#6]-1 Row: 2135 Displacement of [3H]Citalopram from human SERT by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2136 Displacement of [3H]dofetolide from human ERG channel expressed in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 18 [#6]-[#6]-[#7]1:[#6](-[#6]2-[#6]-[#6]-[#6]-[#7](-[#6]-2)-[#6]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2137 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2138 Inhibition of human carbonic anhydrase 1-mediated CO2 hydration preincubated for 10 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 24 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2139 Displacement of [3H]PGE2 from mouse EP1 receptor expressed in CHO cells after 20 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#8]):[#6]:[#6]:[#6]:1-[#6]-[#6]-[#6](=[#8])-[#8] Row: 2140 Inhibition of peripheral nerve sodium channel NaV1.7 * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 24 [#8]=,-[#6](-[#7,#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1-[#6]-[#6]-[#6]-[#6]-1-[#6,#8]-[#6,#7,#8]-[#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2141 Inhibition of Dihydrofolate reductase enzyme from Candida albicans * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 15 [#7]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]1:[#6]:2:[#6]:[#6]:[#7]:1 Row: 2142 Displacement of [3H]PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#8]):[#6]:[#6]:[#6]:1-[#6]-[#6]-[#6](=[#8])-[#8] Row: 2143 Displacement of [3H]PGE2 from mouse EP3alpha receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#8]):[#6]:[#6]:[#6]:1-[#6]-[#6]-[#6](=[#8])-[#8] Row: 2144 Binding affinity to glucocorticoid receptor-LBD (unknown origin) by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 24 [#6]-[#6](-[#6])(-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6,#7]:[#6]:[#16]:1)-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6,#7]:[#7,#6]:[#6]:1 Row: 2145 Displacement of [125I]-IABN from human D3 receptor transfected in human HEK 293 cells by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-,=[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2146 Inhibition of human coagulation factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 41.0, mcs nAts: 30 [#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 2147 Displacement of [125I]IABN from human dopamine D4 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 26 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2148 Inhibition of human coagulation factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 41.0, mcs nAts: 30 [#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#7]:1 Row: 2149 Displacement of [3H]PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 29 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#8]):[#6]:[#6]:[#6]:1-[#6]-[#6]-[#6](=[#8])-[#8] Row: 2150 Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4- (methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1 cells after 2 hrs by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 20 [#6,#7,#8,#16]-[#8,#6,#7,#16]-[#6]-[#6]-[#6,#7]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17] Row: 2151 Displacement of [125I]-IABN from human D2 receptor transfected in human HEK 293 cells by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-,=[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2152 Displacement of [3H]N-methylspiperone from rat dopamine D4 receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2153 Inhibition of Plasmodium falciparum recombinant falcipain-2 using ZFR-AMC as substrate after 30 mins by fluorometric assay * postgresql://localhost/chembl_23 Mean nAts 50.9, mcs nAts: 25 [#6]-[#6](-,=[#6,#8])-[#6,#7]-[#6](-[#7,#6]-[#6](=,-[#8,#6])-[#6,#7])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=,-[#8,#7])-,=[#7,#8] Row: 2154 Displacement of [3H]ketanserin from human 5HT2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 22 [#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 2155 Inhibition of histamine H2 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 2156 Antagonist activity against human orexin 2 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 18 [#6]-[#7]-[#6](=[#8])-[#6]-[#8,#7]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2-[#6])-[#6] Row: 2157 Inhibitory activity against protease plasmepsin-2 (Plm II) of Plasmodium falciparum * postgresql://localhost/chembl_23 Mean nAts 48.7, mcs nAts: 17 [#6,#7]=,-[#6,#7]-[#6,#7]-[#8,#6]-[#6](-[#6,#8]-,=[#7,#6,#8])-[#6,#7]-[#6](-,=[#8])-[#6](-[#8,#7]-[#6]-,=[#6,#8])-[#6](=,-[#8,#6])-[#7,#6] Row: 2158 Inhibition of human plasma BuChE activity * postgresql://localhost/chembl_23 Mean nAts 25.2, mcs nAts: 17 [#8,#6]=,-[#6](-,=[#6,#8])-[#7]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#16]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2159 Antagonist activity against human orexin 1 receptor after 1 hr by Ca2+ sensitive Fluo4-AM fluorescent dye-based FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 18 [#6]-[#7]-[#6](=[#8])-[#6]-[#8,#7]-[#6]1:[#6]:[#6](-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2-[#6])-[#6] Row: 2160 Inhibition of DPP4 * postgresql://localhost/chembl_23 Mean nAts 17.5, mcs nAts: 9 [#6,#7,#8]-,=[#6](-[#6])-[#6,#7](-,=[#7,#6,#8])-[#6,#7]-[#7,#6]-[#6]-,=,#[#6,#7] Row: 2161 Antagonist activity at human OX2 receptor expressed in HEK cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 19 [#8,#6]=,-[#6,#7]1-[#7,#6](-,=[#6,#8])-[#6]-[#6]-[#6]-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]1:[#7,#6]:[#6,#7]:[#6]:[#6]:[#7]:1 Row: 2162 Displacement of [3H]N-methylspiperone from human dopamine D2 receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2163 Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 17 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#6]:[#7]:[#6](:[#6](:[#7]:1)-[#6])-[#6]1:[#6]:[#6]:[#7]:[#6]:[#6,#7]:1 Row: 2164 Inhibition of human carbonic anhydrase 4 esterase activity using 4-nitrophenylacetate as substrate * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 7 [#6,#8,#16]-,=[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2165 Displacement of [3H]-CP55940 from human CB1 receptor after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 16 [#6]-[#6]-[#7](:[#6]):[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]1:,-[#7,#6]:[#7,#6](:[#6,#7]:[#6,#7]-,:1)-,=[#6,#8] Row: 2166 Displacement of [3H]MPEP from mGluR5 in rat brain * postgresql://localhost/chembl_23 Mean nAts 16.5, mcs nAts: 16 [#7,#6]#,-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]#[#6]-[#6]1:[#6]:[#16]:[#6](:[#7]:1)-[#7,#6,#9,#17,#35,#53] Row: 2167 Displacement of [125I]-DOI from recombinant human 5HT2C receptor * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 19 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9] Row: 2168 Inhibitory activity against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 37.6, mcs nAts: 33 [#6,#7,#8]-,=[#6]-[#6]1:[#6]:[#7]:[#6](:[#16,#7]:1)-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#8,#6]-[#6](-[#6])-[#6,#8] Row: 2169 Inhibitory concentration against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 48.7, mcs nAts: 26 [#6,#7]-[#7,#6]-[#6]-[#6](-[#8,#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6,#7]:1)-[#6](-,=[#8])-[#6,#7]-[#6](-[#8,#6]-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#6]-,=[#7,#6,#8] Row: 2170 Displacement of [3H]-ZM241385 from human adenosine A2A receptor expressed in high five cells after 30 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 17 [#6,#8]-,=[#6,#7]-[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#7]:[#6]:[#6]:[#16]:1 Row: 2171 Inhibition of human carbonic anhydrase 6 esterase activity using 4-nitrophenylacetate as substrate * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 7 [#6,#8,#16]-,=[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2172 Inhibition of human recombinant CA4 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 19 [#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2173 Displacement of [125I]IABN from human dopamine D2 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 26 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2174 Displacement of [3H]R-PIA from human A1 adenosine receptor expressed in CHO cells after 60 min by Perkin Elmer Liquid Scintillation Analyzer * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 18 [#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#6](-[#8])-[#6](-[#8])-[#6]-[#6,#8]-1 Row: 2175 Inhibition of human recombinant CA1 by CO2 hydration based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 28 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1 Row: 2176 Inhibitory concentration for rat Monoamine oxidase A * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 10 [#7,#6,#8]-,=[#6,#7](-,=[#6,#8])-[#6,#7]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 2177 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in HEK293 cell membrane * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 11 [#7]#[#6]-[#6]1:[#6](-[#6]):[#6]:[#6](:[#7]:[#6]:1-[#7])-[#6] Row: 2178 Displacement of [125I]PYY from human recombinant neuropeptide Y5 receptor expressed in thymidine kinase deficient human LM cells * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 23 [#8]=,-[#6]1-[#6]-[#6]-[#6]-[#6](=,-[#6]-,=1-[#6]1-[#6]2=,:[#6](-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:2=,-[#8])-[#8]-[#6]2:,=[#6]-1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-,=[#8] Row: 2179 Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 13 [#6]-[#6]1:[#7]:[#6,#7](-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#6,#8,#9,#17]):[#7]:[#8,#7]:1 Row: 2180 Inhibition of human recombinant MAOB expressed in insect cells by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 16.9, mcs nAts: 7 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2181 Inhibitory constant against human Carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 8 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 2182 Inhibitory constant against human Carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 8 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 2183 Inhibitory constant against human Carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 24.8, mcs nAts: 8 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#16,#6,#7,#8]-,=[#7,#6,#8,#16] Row: 2184 Inhibition of human recombinant carbonic anhydrase 1 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 5 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6] Row: 2185 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 39.4, mcs nAts: 21 [#7,#9]-[#6](=,-[#8,#9])-[#6]1:[#6]:[#6](-[#6](=,-[#8,#7])-,=[#7,#8]):[#7](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#7]:[#8]:2)-[#7] Row: 2186 Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 7 [#6,#8]-[#7,#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2187 Inhibition of human plasmin using pyroGlu-Phe-Lys-pNA.HCl * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 19 [#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]1:[#6]:[#6](-[#8,#6,#7]-[#6,#7]):[#6]:[#6](:[#6]:1)-[#6,#8]-,=[#7,#6,#8] Row: 2188 Inhibition of human recombinant carbonic anhydrase 2 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 5 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6] Row: 2189 Inhibition of human recombinant carbonic anhydrase 9 by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 5 [#6,#7,#8]-,=[#6,#16](=,-[#8,#6])-[#7,#6]-,=[#6] Row: 2190 Inhibition of human recombinant CA1 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 19 [#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2191 Displacement of [3H]racemic CP-101606 from rat NR2B receptor in P2 membrane * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 14 [#8,#6]=,-[#6](-[#7]-[#6]-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#8,#6]-[#6,#8])-,=[#6,#8] Row: 2192 Inhibition of 20 pM [125I]BH-CCK-8S binding to mouse cortical membrane Cholecystokinin 2 receptor * postgresql://localhost/chembl_23 Mean nAts 54.7, mcs nAts: 13 [#6]-[#7]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] Row: 2193 In vitro inhibition of aspartic protease plasmepsin (Plm) II of Plasmodium falciparum * postgresql://localhost/chembl_23 Mean nAts 41.8, mcs nAts: 19 [#6,#7,#8]-,=[#6,#7]-[#6,#7]-[#7,#6]-[#6](=,-[#8])-[#6,#7]-[#6,#7]-[#6](-[#6]-[#8,#6,#7]-[#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-1)-,=[#7,#8] Row: 2194 Inhibitory activity was evaluated against HIV protease * postgresql://localhost/chembl_23 Mean nAts 45.6, mcs nAts: 38 [#8]=[#6]1-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#8])-[#6](-[#6](-[#7]-1-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#8] Row: 2195 Inhibition of [3H]NMS binding to human cloned M3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 49.2, mcs nAts: 38 [#6]-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6](=[#8])-[#6]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2196 Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cell membranes after 120 mins by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 12 [#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#7](:[#7]:2)-[#6] Row: 2197 Inhibition of 20 pM [125I]BH-CCK-8S binding to guinea pig pancreas membrane Cholecystokinin 1 receptor * postgresql://localhost/chembl_23 Mean nAts 54.7, mcs nAts: 13 [#6]-[#7]-[#6]-[#6](-[#8])-[#6](-[#8])-[#6](-[#8])-[#6](-[#8])-[#6]-[#8] Row: 2198 Displacement of [125I]AB-MECA from human Adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 21 [#6]-[#7]-[#6]1:[#7]:[#6](-[#7,#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2199 Ability to displace [3H]ditolylguanidine in the presence of 100 nM (+)-pentazocine from Sigma opioid receptor type 2 of rat liver * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 8 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6,#8]:,-[#6]:,-1)-[#7,#6,#8]-,#[#6,#7,#8] Row: 2200 Displacement of [3H] labelled Substance P from cloned human NK1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 45.4, mcs nAts: 37 [#6,#7,#8]-[#8,#6,#7]-,=[#7,#6]=,-[#6,#7]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6](-[#6]-1)-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9] Row: 2201 Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase Assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]):[#7]:[#7]:1 Row: 2202 Inhibition of recombinant human carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase Assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]):[#7]:[#7]:1 Row: 2203 Inhibition of recombinant human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase Assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]):[#7]:[#7]:1 Row: 2204 Inhibition of recombinant human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase Assay * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 16 [#6]-[#6]1:[#6]:[#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#16](-[#7])(=[#8])=[#8]):[#7]:[#7]:1 Row: 2205 Inhibition of Stenotrophomonas maltophilia L1 metallo beta lactamase * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 22 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6](-[#6]-[#6]-[#16])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=,-[#8,#7])-,=[#8] Row: 2206 Inhibition of PI3K-gamma (unknown origin) using [33P]ATP as substrate after 15 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.6, mcs nAts: 19 [#6,#7,#8]-,=[#6](=,-[#8,#7])-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#16]:1)-[#6]1:[#6]:[#6,#7]:[#6]:[#7,#6]:[#6]:1 Row: 2207 Displacement of [3H]-LSD from cloned human 5HT6 receptor expressed in HeLa cells * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 23 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]1:[#6]2:[#6](:[#6]3:[#6]:1:[#6]:[#6]:[#6]:[#6]:3)-[#6]-[#6]-[#7]-[#6]-[#6]-2 Row: 2208 Displacement of [125I]Iodoproxyfan from recombinant human histamine H3 receptor expressed in HEK293 cells after 60 mins * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 23 [#8,#7]=,-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2209 Displacement of [125I][Phe13, Tyr19]MCH from human recombinant MCHR1 expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.4, mcs nAts: 9 [#7,#6]-,=[#6,#7,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6,#7,#8] Row: 2210 Binding affinity to hERG stably transfected in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 26 [#8]-,=[#6]1:[#6,#7]:[#6](-[#7]-[#6]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6](:[#6]:2)-[#17,#8] Row: 2211 Displacement of radioligand from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6,#8])-[#17,#6,#16,#53])-[#6](-[#6]-2-[#8])-[#8] Row: 2212 Displacement of radioligand from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6,#8])-[#17,#6,#16,#53])-[#6](-[#6]-2-[#8])-[#8] Row: 2213 Displacement of [125I]N6-(-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6,#8])-[#17,#6,#16,#53])-[#6](-[#6]-2-[#8])-[#8] Row: 2214 Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from mouse recombinant adenosine A1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.9, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6]12-[#6]-[#6]-1-[#6](-[#7]1:[#6]:[#7]:[#6]3:[#6]:1:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6,#8])-[#17,#6,#16,#53])-[#6](-[#6]-2-[#8])-[#8] Row: 2215 Binding affinity to human thrombin * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 17 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]-[#6,#7]1:[#6](-[#17,#6]):[#6]:[#6,#7]:[#6](:[#6]:1-,=[#9,#8])-[#7]-[#6,#16]-[#6] Row: 2216 Displacement of [125I]IOXY from human recombinant kappa opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.0, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8,#7,#16]-[#6,#16](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 2217 Displacement of [125I]IOXY from human recombinant delta opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.0, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8,#7,#16]-[#6,#16](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 2218 Displacement of [125I]IOXY from human recombinant mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.0, mcs nAts: 31 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]-[#6](-[#8,#7,#16]-[#6,#16](-,=[#6,#8])=,-[#8,#6])-[#6](-[#6]2-[#6]-1(-[#6])-[#6]-[#6]-[#6]1-[#6]-2(-[#6]-[#6](-[#8]-[#6]-1=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])=[#8] Row: 2219 Inhibitory activity against DNA-dependent protein kinase receptor * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 12 [#8]=,-[#6]1:[#6]:[#6](-,=[#7]):[#8,#7]:[#6]2:[#6,#7]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2220 Displacement of [3H] LSD from human 5HT6 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 11 [#6,#8]-,=[#6,#16]-[#7,#6]1:[#6]:[#6,#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2221 Binding affinity to human factor Xa * postgresql://localhost/chembl_23 Mean nAts 39.8, mcs nAts: 34 [#7,#6]-[#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1=[#8]):[#7](:[#7]:[#6]:2-[#6](-[#9])(-[#9])-[#9])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2222 Inhibition of human recombinant CA2 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 19 [#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2223 Inhibition of F10a * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 30 [#8]=[#6](-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-1=[#8])-[#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#17])-[#7]1-[#6]-[#6]-[#6,#7,#8]-[#6]-[#6]-1 Row: 2224 Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 12 [#7]-[#6]1:[#6](-[#17]):[#6]:[#6](:[#6]:[#6]:1-[#17])-[#6](=,-[#8,#7])-,=[#7,#8] Row: 2225 Displacement of [125I]IABN from human dopamine D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 34.1, mcs nAts: 26 [#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]=,-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2226 Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 10 [#6,#8,#16]-,=[#7,#6,#16](-[#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1)-,=[#6,#8,#16] Row: 2227 Inhibition of rat 11beta-HSD1 * postgresql://localhost/chembl_23 Mean nAts 26.4, mcs nAts: 12 [#7]-[#6]1:[#6](-[#17]):[#6]:[#6](:[#6]:[#6]:1-[#17])-[#6](=,-[#8,#7])-,=[#7,#8] Row: 2228 Displacement of [125I]N6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyl-uronamide from human adenosine A3 receptor stably expressed in CHO cell membrane by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 24 [#6]-[#7]-[#6]1:[#7]:[#6](-[#53,#7]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#6](-[#8])-[#6](-[#8])-[#6]2(-[#6]-1-[#6]-2)-[#6](=[#8])-[#7]-[#6] Row: 2229 Displacement of [3H]EMPA from human orexin receptor-2 expressed in HEK293 cells after 90 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 28 [#6,#7]1:[#6,#7]:[#6]:[#6](:[#6,#7]:[#6]:1-[#8,#7]-[#6])-[#7]1-[#6](=[#8])-[#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]2:[#6](-[#16]-1(=[#8])=[#8]):[#6]:[#6]:[#6]:[#6,#7]:2 Row: 2230 Compound was tested for its inhibitory potency against human immunodeficiency virus -1 (HIV-1 protease) * postgresql://localhost/chembl_23 Mean nAts 42.3, mcs nAts: 24 [#8]=[#6](-[#7]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](-[#8])-[#6]-[#7])-[#8]-[#6]1-[#6]-[#8]-[#6]2-[#6]-1-[#6]-[#6]-[#8]-2 Row: 2231 Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 21 [#6]-[#6]-[#6]1:[#6]:[#6]2:[#6](-[#7]3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](-,=[#6,#8])=,-[#8,#6]):[#7]:[#6](:[#7]:[#6]:2:[#16]:1)-[#7] Row: 2232 Inhibition constant against HIV-1 protease * postgresql://localhost/chembl_23 Mean nAts 40.1, mcs nAts: 28 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7](-[#6]-[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#8,#6]-[#6,#7])-[#8,#6]-[#6] Row: 2233 Inhibitory activity against cytosolic human carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#6,#8])(=,-[#8,#6])=,-[#8,#6] Row: 2234 Displacement of [3H]-M-MPEP from human mGlu5 receptor expressed in HEK293 cells after 90 mins by scintillation spectroscopy analysis * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 15 [#7,#6]#,-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#6]:[#6](-[#7,#6]):[#7,#6]:[#6]:[#7,#6]:1 Row: 2235 Displacement of [3H]-CP55940 from CB2 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 24 [#8]=[#6](-[#6]1:[#6]:[#6](-[#8]):[#6](:[#6](:[#6]:1)-[#8])-[#6]1:[#6]:[#6](-[#17]):[#6]:[#6](:[#6]:1)-[#17])-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2236 Displacement of [3H]-CP55940 from CB1 receptor (unknown origin) expressed in CHO cell membranes after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 26.7, mcs nAts: 24 [#8]=[#6](-[#6]1:[#6]:[#6](-[#8]):[#6](:[#6](:[#6]:1)-[#8])-[#6]1:[#6]:[#6](-[#17]):[#6]:[#6](:[#6]:1)-[#17])-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2237 Inhibition of GST-tagged full length ITK (unknown origin) using BLK peptide as substrate after 35 mins * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 24 [#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#6]-,:1):[#7]:[#7]:[#6]:2-[#6](=[#8])-[#7]-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2238 Displacement of [3H]ketanserin from human 5HT2AR expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 12 [#6]-[#6,#7,#8]-[#6,#7]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6]-[#8,#6]-[#6,#7] Row: 2239 Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 16 [#7,#6]#,-[#6]-,=[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2240 Inhibition of human carbonic anhydrase 9 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 16 [#7,#6]#,-[#6]-,=[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2241 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 16 [#7,#6]#,-[#6]-,=[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2242 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 24.7, mcs nAts: 16 [#7,#6]#,-[#6]-,=[#6]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2243 Inhibitory activity against cytosolic human carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 5 [#8,#6,#7]-[#16,#6](-,=[#7,#6,#8])(=,-[#8,#6])=,-[#8,#6] Row: 2244 Inhibition of human recombinant full length CA7-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2245 Inhibition of human recombinant full length CA2-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2246 Displacement of [3H]AVP from vasopressin V2 receptor in rat kidney membranes * postgresql://localhost/chembl_23 Mean nAts 72.4, mcs nAts: 43 [#6,#7]-[#6]-[#6]-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#6,#7]-[#16,#6]-[#16,#6]-[#6]-[#6,#16]-[#7,#16]-[#6]-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6,#7] Row: 2247 BindingDB_Patents: Competition Binding Assay. The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esbenshade, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 313, 165-175; Esbenshade et al., Biochemical Pharmacology 2004, 68, 933-945; and Krueger, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 314, 271-281). Membranes were prepared from C6 or HEK293 cells, expressing the rat histamine H3 receptor, by homogenization on ice in TE buffer (50 mM Tris-HCl buffer, pH 7.4, containing 5 mM EDTA), 1 mM benzamidine, 2 ug/ml aprotinin, 1 ug/ml leupeptin, and 1 ug/ml pepstatin. The homogenate was centrifuged at 40,000 g for 20 minutes at 4 C. This step was repeated, and the resulting pellet was resuspended in TE buffer. Aliquots were frozen at -70 C. until needed. On the day of assay, membranes were thawed and diluted with TE buffer. * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 8 [#7]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6](:[#7]:1)-[#7] Row: 2248 Inhibition of human recombinant full length CA1-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2249 Inhibition of human carbonic anhydrase 14 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]-[#7,#8]-[#16,#6](=,-[#8,#6,#7])(=,-[#8,#6])-,=[#7,#6,#8] Row: 2250 Inhibition of human carbonic anhydrase 12 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]-[#7,#8]-[#16,#6](=,-[#8,#6,#7])(=,-[#8,#6])-,=[#7,#6,#8] Row: 2251 Inhibition of human carbonic anhydrase 7 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]-[#7,#8]-[#16,#6](=,-[#8,#6,#7])(=,-[#8,#6])-,=[#7,#6,#8] Row: 2252 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]-[#7,#8]-[#16,#6](=,-[#8,#6,#7])(=,-[#8,#6])-,=[#7,#6,#8] Row: 2253 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by CO2 hydration stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 6 [#6]-[#7,#8]-[#16,#6](=,-[#8,#6,#7])(=,-[#8,#6])-,=[#7,#6,#8] Row: 2254 Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant DAT expressed in african green monkey COS1 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 45.5, mcs nAts: 20 [#6]-[#8,#7]-[#6](=[#8])-[#6]1-[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#17,#6,#53])-[#6]-[#6]2-[#7](-[#6]-1-[#6]-[#6]-2)-[#6] Row: 2255 Displacement of [3H]AVP from vasopressin V1a receptor in rat liver membrane * postgresql://localhost/chembl_23 Mean nAts 72.4, mcs nAts: 43 [#6,#7]-[#6]-[#6]-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#6,#7]-[#16,#6]-[#16,#6]-[#6]-[#6,#16]-[#7,#16]-[#6]-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6,#7] Row: 2256 Displacement of [3H]U-69593 from KOP receptor in guinea pig cortical tissue * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 32 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6])-[#6])-[#6] Row: 2257 Displacement of [3H]naltrindole from human DOP receptor expressed in deltaC6 cells * postgresql://localhost/chembl_23 Mean nAts 36.1, mcs nAts: 32 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#8]-[#6](-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6])-[#6])-[#6] Row: 2258 Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant SERT expressed in african green monkey COS1 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 45.5, mcs nAts: 20 [#6]-[#8,#7]-[#6](=[#8])-[#6]1-[#6]2-[#6]-[#6]-[#6](-[#7]-2-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#53,#6,#17] Row: 2259 Displacement of [125I]methyl 3-(4-iodophenyl)-8-methyl-8-aza-bicyclo[3.2.1]octane-2-carboxylate from human recombinant NET expressed in african green monkey COS1 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 45.5, mcs nAts: 20 [#6]-[#8,#7]-[#6](=[#8])-[#6]1-[#6]2-[#6]-[#6]-[#6](-[#7]-2-[#6])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#53,#6,#17] Row: 2260 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2261 Inhibition of mTOR (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 23 [#6]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#6]:1:[#6]:[#6](-[#6]):[#6](:[#7]:2-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]-[#8,#6])=[#8] Row: 2262 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2263 Displacement of [3H]-CP55940 from human CB2 receptor after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 16 [#6]-[#6]-[#7](:[#6]):[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]1:,-[#7,#6]:[#7,#6](:[#6,#7]:[#6,#7]-,:1)-,=[#6,#8] Row: 2264 Displacement of [3H]histamine from human histamine H4 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 20.2, mcs nAts: 12 [#7]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#6]:1:[#7,#6]:[#6]:[#6]:[#6]:2 Row: 2265 Displacement of [125I]-Orexin A from human OX1R expressed in CHO cells after 30 mins by topcount analysis * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 20 [#8]=[#6](-[#7,#6])-[#6]1-[#6]-[#6]-1(-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2266 Displacement of [3H]CP-55940 from human CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 17 [#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6](-[#6])(-[#6])-[#6,#8]):[#6]:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7] Row: 2267 Displacement of [3H]-8-OH-DPAT from 5HT1A receptor in Wistar rat hippocampus homogenate * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 18 [#6]1:[#7]:[#6,#7]:[#7,#6]:[#6]:1-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2268 Displacement of [3H]ketanserin from 5HT2A receptor in Wistar rat cortex homogenate * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 18 [#6]1:[#7]:[#6,#7]:[#7,#6]:[#6]:1-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2269 Inhibition of human recombinant CA9 by CO2 hydration based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 28 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1 Row: 2270 Inhibition of human recombinant CA9 catalytic domain-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2271 Inhibition of human recombinant full length CA14-mediated CO2 hydration preincubated for 15 mins by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 8 [#7,#6,#8]-[#16,#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2272 Inhibition of human recombinant CA12 by CO2 hydration based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 28 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1 Row: 2273 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2274 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from human GPR40 expressed in CHO cells after 90 mins by liquid scintillation counting in the presence of 0.2% BSA * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 31 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6]):[#6](:[#6](:[#6]:1)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6]-[#6]-2-[#6]-[#6](=[#8])-[#8] Row: 2275 Displacement of [125I]-Apelin-13[Glp65, Nle75, Tyr77] from YFP epitope-tagged human APJ expressed in HEK-293 cells after 1 hr by gamma counting method * postgresql://localhost/chembl_23 Mean nAts 123.2, mcs nAts: 44 [#6,#7]-[#16,#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](=[#8])-[#7]-[#6](-[#6])-[#6](-,=[#6,#7,#8])-,=[#6,#7,#8] Row: 2276 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells by Topcount microplate scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 29 [#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#6]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 2277 Binding affinity to human P2Y1 receptor * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 28 [#6,#7,#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6,#14](-[#6])(-[#6])-[#6] Row: 2278 Displacement of [125I]-Tyr14-N/OFQ from human NOP receptor expressed in CHO cells by Topcount microplate scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 29 [#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])-[#7]1-[#6]2-[#6]-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#6]1:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 2279 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])-phenylmethoxy]biphenyl-3-yl}methoxy)phenyl]propanoic acid from rat GPR40 expressed in CHO cells after 90 mins by liquid scintillation counting in the presence of 0.2%BSA * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 31 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6]):[#6](:[#6](:[#6]:1)-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6]-[#6]-2-[#6]-[#6](=[#8])-[#8] Row: 2280 Binding affinity to human cloned muscarinic M1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 13.3, mcs nAts: 3 [#6,#7]-[#7,#6,#8]-,=[#6,#7,#8] Row: 2281 Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC at 100 nM from guinea pig cortical tissue * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 17 [#6]-[#6]1-[#6]-[#7](-[#6]-[#6])-[#6]-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 2282 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 20.1, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2283 Binding affinity to human factor 10a * postgresql://localhost/chembl_23 Mean nAts 41.1, mcs nAts: 37 [#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#9])-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#7]:[#7]:1-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#7]:[#8]:2)-[#7] Row: 2284 Binding affinity for cloned human 5-hydroxytryptamine 1A receptor * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 16 [#6,#7,#8]-,=[#7,#6]-[#16,#6]-[#6,#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6]-[#7] Row: 2285 Inhibitory concentration against the human Cathepsin D * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 21 [#8]=[#6](-[#6]-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6])-[#7]-[#6] Row: 2286 Inhibition of human 5HT7 receptor expressed in HEK293 cells by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2287 Inhibition of rat hippocampus 5HT1A receptor by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 15 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2288 Displacement of [3H]Cl-977 from kappa opioid receptor in guinea pig brain membranes after 2 hrs by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 26 [#8]=[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17])-[#7]1-[#6]-[#6]-[#7]-[#6]2-[#6]-1-[#6](-[#6]-[#6]-[#6]-2)-[#7]1-[#6]-[#6]-[#6]-[#6]-1 Row: 2289 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 24.3, mcs nAts: 20 [#8,#7]=,-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#7]:[#7](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2290 Inhibitory concentration for human Monoamine oxidase B * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 10 [#7,#6,#8]-,=[#6,#7](-,=[#6,#8])-[#6,#7]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 2291 Displacement of [3H]-spiperone from human dopamine D2S receptor expressed in HEK293 cell membranes * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6,#7] Row: 2292 Inhibition of human recombinant PDE10A assessed as hydrolysis of cAMP to AMP using [3H]cAMP substrate by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 19 [#6]-[#6]1:[#6]:[#6](-[#17,#8]):[#6]:[#6]2:[#6]:1:[#7]:[#6]1:[#7]:[#7]:[#6](:[#6]:1:[#6]:2-[#6](-,=[#8,#6,#9])-[#6,#8])-[#6] Row: 2293 Displacement of [125I]2-iodomelatonin from human recombinant MT2 receptor expressed in HEK293 cells after 2 hrs by gamma counting * postgresql://localhost/chembl_23 Mean nAts 17.3, mcs nAts: 8 [#6]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2294 Displacement of [3H]OH-DPAT from rat cortex 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 10 [#6,#7]-[#6]-[#6,#7]-[#7,#6,#8]-[#6,#7]1-,:[#6]-,:[#6,#7]-,:[#6]:,-[#6]-,:[#6,#8]-,:1 Row: 2295 Binding affinity to human androgen receptor expressed in monkey COS7 cells by whole cell binding assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 20 [#6]-[#6]1:[#6]:[#6](=[#8]):[#7]:[#6]2:[#6]:1:[#6]1:,-[#6,#8]:,-[#8,#6]:,-[#6]3:[#6](:,-[#6]:1:[#6]:[#6]:2):[#6]:[#6]:[#6]:[#6]:3 Row: 2296 Inhibitory concentration against the plasmepsin-2 of Plasmodium falciparum * postgresql://localhost/chembl_23 Mean nAts 44.5, mcs nAts: 21 [#8]=[#6](-[#6]-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6])-[#7]-[#6] Row: 2297 Displacement of [125I]2-iodomelatonin from human recombinant MT1 receptor expressed in HEK293 cells after 2 hrs by gamma counting * postgresql://localhost/chembl_23 Mean nAts 17.3, mcs nAts: 8 [#6]-,=[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2298 Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 25 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2299 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 25 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2300 Inhibition of human recombinant CA2 by CO2 hydration based stopped flow assay * postgresql://localhost/chembl_23 Mean nAts 38.1, mcs nAts: 28 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#6]:[#6](-[#6]-[#16]-[#6]2-[#8]-[#6](-[#6]-[#8])-[#6](-[#6](-[#6]-2-[#8])-[#8])-[#8]):[#7]:[#7]:1 Row: 2301 Displacement of [3H]vasopressin from human V1a receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 34 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]=[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#7]2:[#6]:[#6]:[#6](:[#7]:2)-[#6])-[#6]-[#6]-[#6]-1(-[#9])-[#9] Row: 2302 Displacement of [3H]vasopressin from human V2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 38.3, mcs nAts: 34 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]=[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#7](-[#6](=[#8])-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#17])-[#7]2:[#6]:[#6]:[#6](:[#7]:2)-[#6])-[#6]-[#6]-[#6]-1(-[#9])-[#9] Row: 2303 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 36.3, mcs nAts: 25 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]):[#6]:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2304 Inhibition of human recombinant membrane bound CA7 expressed in Escherichia coli preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 44.3, mcs nAts: 19 [#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2305 BindingDB_Patents: Inhibition Assay. The activity of the isolated JAK3 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Leu-Pro-Leu-Asp-Lys-Asp-Tyr-Tyr-Val-Val-Arg) fluorescently labeled on the N-terminus with 5-carboxyfluorescein using the Caliper LabChip technology (Caliper Life Sciences, Hopkinton, Mass.). To determine the inhibition constants (Ki) of Examples 1-508, compounds were diluted serially in DMSO and added to 50 uL kinase reactions containing 5 nM purified JAK3 enzyme, 100 mM Hepes pH7.2, 0.015% Brij-35, 1.5 uM peptide substrate, 5 uM ATP, 10 mM MgCl2, 4 mM DTT at a final DMSO concentration of 2%. Reactions were incubated at 22° C. in 384-well polypropylene microtiter plates for 30 minutes and then stopped by addition of 25 uL of an EDTA containing solution (100 mM Hepes pH 7.2, 0.015% Brij-35, 150 mM EDTA), resulting in a final EDTA concentration of 50 mM. * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 24 [#8]=[#6](-[#7]-[#6]1:[#6,#16]:[#6,#7]:[#7]:[#7,#6]:1-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-1-,=[#17,#6,#8,#35])-[#6]1:[#6]:[#7]:[#7]2:[#6]:1:[#7]:[#6]:[#6]:[#6]:2 Row: 2306 Inhibition of human CA9 catalytic domain by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 8 [#6,#7,#8]#,-[#6,#7,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 2307 Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6,#7] Row: 2308 Displacement of [3H]LSD from human 5HT7 receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2309 BindingDB_Patents: SPA Assay. The Glucagon SPA assay is used to determine the ability of test compounds to block the binding of glucagon-cex to the glucagon receptor. Test compounds are re-suspended and serially diluted in 100% DMSO. 1 ul of test compound at the desired concentrations is spotted into the appropriate wells of 96 well low binding white clear bottom plate (Corning). 1 ul of DMSO is spotted into total binding wells. 1 ul of a known glucagon antagonist at a concentration of 20 uM is added to non specific binding wells. 0.3-0.75 ug of membrane from chem-1 cells stably transfected with the human glucagon receptor (Millipore), 125 pM of [125I]Glucagon-Cex (Perkin Elmer) and 175 ug of WGA PVT SPA beads (Perkin Elmer) are added to all wells of the assay plate. All assay ingredients with the exception of test compounds are re-suspended in the following buffer; 50 mM Hepes pH 7.4; 5 mM MgCl2; 1 mM CaCl; 5% glycerol and 0.2% BSA. * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 27 [#6]-[#6](-[#7]-[#6]1:[#7,#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6,#7]:[#6,#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6](=[#8])-[#8] Row: 2310 BindingDB_Patents: Competition Binding Assay. The rat H3 receptor was cloned and expressed in cells, and competition binding assays carried out, according to methods previously described (see Esbenshade, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 313, 165-175; Esbenshade et al., Biochemical Pharmacology 2004, 68, 933-945; and Krueger, et al. Journal of Pharmacology and Experimental Therapeutics 2005, 314, 271-281). Membranes were prepared from C6 or HEK293 cells, expressing the rat histamine H3 receptor, by homogenization on ice in TE buffer (50 mM Tris-HCl buffer, pH 7.4, containing 5 mM EDTA), 1 mM benzamidine, 2 ug/ml aprotinin, 1 ug/ml leupeptin, and 1 ug/ml pepstatin. The homogenate was centrifuged at 40,000 g for 20 minutes at 4 C. This step was repeated, and the resulting pellet was resuspended in TE buffer. Aliquots were frozen at -70 C. until needed. On the day of assay, membranes were thawed and diluted with TE buffer. * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 8 [#7]-[#6]1:[#6,#7]:[#6]:[#7,#6]:[#6](:[#7]:1)-[#7] Row: 2311 Displacement of [3H]U69,593 from human recombinant kappa opioid receptor expressed in CHO cell membranes after 2 hrs by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 16 [#6]-[#7]1-[#6]-[#6]-[#6]2(-[#6](-[#6]-1)-[#8]-[#6]1:[#6]-2:[#6]:[#6](-[#8]):[#6]:[#6]:1)-[#6] Row: 2312 Inhibition of human cloned CA2 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 8 [#6,#7,#8]#,-[#6,#7,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 2313 Inhibition of human cloned CA1 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 8 [#6,#7,#8]#,-[#6,#7,#8,#16]-[#6]1:,-[#6,#8]:,-[#6,#7,#8]:,-[#6,#16]:,-[#6,#8]:,-[#6]:,-1 Row: 2314 Displacement of [3H]-prazosin from human ADRA1A receptor * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6,#7] Row: 2315 Displacement of [125I]-T3 from human TRalpha expressed in insect cells after 16 to 48 hrs by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 22 [#6,#8]-,=[#6]-[#6]1:[#6]:[#6](-[#8]-[#6]2:[#6](-[#6,#35]):[#6]:[#6](:[#6]:[#6]:2)-[#7,#6]-[#6](=,-[#8,#7])-[#6]-,=[#6,#8]):[#6]:[#6]:[#6]:1-[#8] Row: 2316 Displacement of [125I]-T3 from human TRbeta expressed in insect cells after 16 to 48 hrs by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 22 [#6,#8]-,=[#6]-[#6]1:[#6]:[#6](-[#8]-[#6]2:[#6](-[#6,#35]):[#6]:[#6](:[#6]:[#6]:2)-[#7,#6]-[#6](=,-[#8,#7])-[#6]-,=[#6,#8]):[#6]:[#6]:[#6]:1-[#8] Row: 2317 Displacement of [3H]-UR-MK114 from Y1R in human SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 75.8, mcs nAts: 40 [#6,#7]-[#6,#8]-[#6,#8]-[#6,#7]-[#6]-[#7]=,-[#6](-,=[#7,#8])-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6] Row: 2318 Inhibition of JAK2 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 13 [#6]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6]1:[#6]:2:[#7](:[#7,#6]:[#7]:1)-[#6] Row: 2319 Inhibition of JAK1 (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 13 [#6]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6]:[#6]1:[#6]:2:[#7](:[#7,#6]:[#7]:1)-[#6] Row: 2320 Binding affinity to human 5HT2C receptor by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2321 Displacement of [3H]raclopride from human D2L receptor expressed in CHO cells after 60 mins by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 16 [#7,#6]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#8,#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:[#6]:,-1 Row: 2322 Displacement of [3H]histamine from human histamine H4 receptor expressed in CHO cells after 90 mins by scintillation counting technique * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 8 [#6,#7,#8]-,=,#[#7,#6,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 2323 Displacement of [3H]dofetilide from hERG expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 22 [#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 2324 Displacement of [3H]Ketanserin from human 5HT2A receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.8, mcs nAts: 13 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-,:[#6,#7]-,:[#7,#6](-,:[#6,#16]-,:2)-[#6]-[#6]-[#6]-[#6,#7] Row: 2325 Displacement of [125I]-DOI from recombinant human 5HT2A receptor * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 19 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9])-[#9] Row: 2326 Displacement of [3H]SNAP 7941 from rat MCHR1 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7,#6]-[#6,#7]-[#6,#7]-,=[#6,#7,#8])-[#7]-[#6](=[#8])-[#6](-[#6])-[#6] Row: 2327 Binding affinity to human oxytocin receptor * postgresql://localhost/chembl_23 Mean nAts 36.4, mcs nAts: 29 [#6,#8]1:[#7,#6,#8]:[#6](-[#6](-[#6](=[#8])-[#7])-[#7]2-[#6](=[#8])-[#6](-[#6]3-[#6]-[#6]4:[#6]:[#6]:[#6]:[#6]:[#6]:4-[#6]-3)-[#7]-[#6](-[#6]-2-[#6]-[#6]-[#6])=[#8]):[#6,#7,#8,#16]:[#16,#6,#8]:1 Row: 2328 Displacement of [33P]2-MeS-ADP from human cloned P2Y1 receptor expressed in HEK293 cells by SPA analysis * postgresql://localhost/chembl_23 Mean nAts 41.0, mcs nAts: 29 [#6]-[#6](-[#6])(-[#6])-[#6]-[#7]1-[#6]-[#6]-[#6]2(-[#6]-[#6]-1)-[#6]-[#7](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]-[#6])-[#6]1:[#6]-2:[#6](:[#6]:[#6]:[#6]:1-[#8])-[#17,#6,#9] Row: 2329 Inhibitory activity against membrane bound tumor associated human carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 19.4, mcs nAts: 5 [#8,#6,#7]-[#16,#6](-,=[#7,#6,#8])(=,-[#8,#6])=,-[#8,#6] Row: 2330 Binding affinity to human NK3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 28 [#6,#7,#8,#9]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2331 Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl-xL (unknown origin) after 1 hr by fluorescence polarization anisotropy assay * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 7 [#8,#6]=,-[#6,#16]-[#6]1:[#6,#7,#8,#16]:[#6,#7,#16]:[#6,#7]:[#16,#6,#7,#8]:1 Row: 2332 Displacement of [3H]SR141716A form human CB1 receptor expressed in HEK293 cells after 60 mins by beta counting * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 25 [#7,#8]-,=[#6]1-[#6,#7]-[#6]-[#6]-[#8]-[#6]2:[#6]-1:[#7]:[#7](:[#6]:2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 2333 Displacement of [3H]CP-55940 from human CB2 receptor expressed in CHO-K1 cells after 60 mins by beta counting * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 25 [#7,#8]-,=[#6]1-[#6,#7]-[#6]-[#6]-[#8]-[#6]2:[#6]-1:[#7]:[#7](:[#6]:2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 2334 Displacement of [3H]PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counter * postgresql://localhost/chembl_23 Mean nAts 39.5, mcs nAts: 22 [#8,#7]=,-[#6,#16](-,=[#8,#7])-[#6,#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#8]-[#6,#7]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#7,#8] Row: 2335 Displacement of [3H]spiperone from human dopamine D2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 22 [#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 2336 Inhibition of HIV-1 protease in vitro. * postgresql://localhost/chembl_23 Mean nAts 50.6, mcs nAts: 24 [#6]-[#6](-[#6])-[#6](-[#6](=[#8])-[#7]-[#6])-[#6](-[#8])-[#6](-[#8])-[#6](-[#6]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 2337 Displacement of [125I]-His9-ghrelin from human GHS-R1a transfected in pig LLC PK-1 cell membranes after 60 mins by gamma counting method * postgresql://localhost/chembl_23 Mean nAts 45.2, mcs nAts: 33 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1:[#6](-[#6](-[#7,#6])-[#6,#7]-[#6]):[#7]:[#7]:[#6]:1-[#6](-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6](=[#8])-[#6] Row: 2338 Displacement of [3H]YM-09151-2 from rat striatum D2 receptor * postgresql://localhost/chembl_23 Mean nAts 26.3, mcs nAts: 10 [#6,#7]-[#6]-[#6,#7]-[#7,#6,#8]-[#6,#7]1-,:[#6]-,:[#6,#7]-,:[#6]:,-[#6]-,:[#6,#8]-,:1 Row: 2339 Displacement of [3H]mesurgeline from human 5HT2C receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 22 [#8]-,=[#16](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#7,#6]:,-[#6,#7]:,-1)-[#6]=,-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1 Row: 2340 Displacement of [3H]WIN-35428 from DAT in rat caudate-putamen by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 22 [#6]-[#7](-[#6])-[#6]-[#6]-[#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9])-[#8]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2341 Binding affinity to human D4 receptor transfected in human HEK293 cells by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 27 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-,=[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2342 Displacement of [3H]N-methyl-scopolamine from human muscarinic M2 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 25 [#6]-[#7]1(-[#6])-[#6]-[#6]-[#6](-[#6]-1)-[#7]1-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)(-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6]-1=[#8] Row: 2343 Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.3, mcs nAts: 24 [#6,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#6]:1:[#7]:[#7](:[#6]:2=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2344 Inhibition of specific binding of [3H]BK to bradykinin B2 receptors of guinea pig ileum (GPI) * postgresql://localhost/chembl_23 Mean nAts 38.9, mcs nAts: 27 [#6]-[#6]=,-[#6,#7,#8]-[#6](=[#8])-[#7]-[#6]-[#6](=[#8])-[#7](-[#6])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1-[#17,#6,#8,#16])-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#17,#6,#8,#16] Row: 2345 Displacement of [3H]histamine from human histamine H4 receptor transfected in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 21 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7,#6]=[#6](-[#7]1-[#6]-[#6]-[#8,#6,#7]-[#6]-[#6]-1)-[#6]1:[#6](-[#7,#6,#8,#16]-2):[#6]:[#6]:[#6]:[#6]:1 Row: 2346 Displacement of [3H]-PGE2 from mouse EP3 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 15 [#6]-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7,#6]-1-[#6]-[#6]-,=[#6,#16])=[#8] Row: 2347 Displacement of [125I]AB-MECA from human recombinant adenosine receptor-3 expressed in CHO cell membrane after 60 mins by gamma-counting * postgresql://localhost/chembl_23 Mean nAts 25.5, mcs nAts: 20 [#6]-[#7]-[#6]1:[#7]:[#6](-[#17]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#6](-[#8])-[#6](-[#8])-[#6]2-[#6]-1-[#6]-2 Row: 2348 Displacement of [3H]5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 14 [#8]-,=[#6](-[#6]-[#6]-[#7])-[#6]1:[#6]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2349 Displacement of [3H]AVP from human vasopressin V1b receptor expressed in CHO cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 44.4, mcs nAts: 36 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](=[#8])(=[#8])-[#7]1-[#6](=[#8])-[#6](-[#6]2:[#6,#7]:[#6,#7]:[#6]:[#7,#6]:[#6]:2-[#8]-[#6])(-[#7]2-[#6]-[#6]-[#6]-[#6]-2-[#6])-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#17] Row: 2350 Inhibition of SERT in rat cerebral cortex assessed as [3H]serotonin accumulation * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6,#8])-[#6]1-,:[#6,#8]-,:[#6]-,:[#6](-,:[#6]-,:[#8,#6]-,:1)-[#7,#9] Row: 2351 Inhibition of DAT in rat striatum assessed as [3H]dopamine accumulation * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 15 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](-[#6,#8])-[#6]1-,:[#6,#8]-,:[#6]-,:[#6](-,:[#6]-,:[#8,#6]-,:1)-[#7,#9] Row: 2352 Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells after 3 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.8, mcs nAts: 24 [#6]-[#6]1:[#6]:[#6](-[#6]):[#6]:[#6](:[#6]:1)-[#6]1:,-[#6]:,-[#7]:,-[#6]2:[#6](:,-[#6]:,=1-[#8]-[#6]-[#6]-[#6]):[#6]:[#6](:[#6](:[#6]:2)-[#17])-[#6] Row: 2353 Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 18.1, mcs nAts: 17 [#6,#8,#9]-[#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#7,#6]:1)-[#6]#[#6]-[#6]1:[#6]:[#6,#7]:[#6]:[#6](:[#6,#7]:1)-[#6,#8]#,-[#7,#6,#8] Row: 2354 Displacement of [3H]-dexamethasone from human full length GR expressed in insect Sf21 cells * postgresql://localhost/chembl_23 Mean nAts 34.5, mcs nAts: 29 [#6]-[#6]12-[#6]-[#6]3:[#6]:[#7]:[#7](:[#6]:3-[#6]=[#6]-1-[#6]-[#6]-[#6]-2(-[#8])-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 2355 Inhibition of human recombinant MAOA expressed in insect cells by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 16.8, mcs nAts: 7 [#7,#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2356 Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 28 [#8]=[#6](-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]#[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6,#7]:[#6,#7]:[#6]:[#7]:1 Row: 2357 Inhibition of human recombinant CA9 catalytic domain by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 15 [#6,#8]-,=[#6](=,-[#8,#6])-[#6]1:[#6](-[#8]):[#6]:[#6]:[#6](:[#6]:1):[#6]:[#6]:[#6](=[#8]):[#8] Row: 2358 Inhibition of full length human CA2 cytosolic isoform by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 15 [#6,#8]-,=[#6](=,-[#8,#6])-[#6]1:[#6]:[#6](:[#6]:[#6]:[#6](=[#8]):[#8]):[#6]:[#6]:[#6]:1-[#8] Row: 2359 Inhibition of full length human CA1 cytosolic isoform by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 15 [#6,#8]-,=[#6](=,-[#8,#6])-[#6]1:[#6]:[#6](:[#6]:[#6]:[#6](=[#8]):[#8]):[#6]:[#6]:[#6]:1-[#8] Row: 2360 Displacement of [3H]LSD from human 5HT6 receptor in HEK293 cell membrane incubated for 1 hr by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 21 [#6,#8]-,=[#16](=[#8])(=,-[#8,#6])-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#6]:[#6]:2-[#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 2361 Displacement of [3H]NMSP from human dopamine D2S receptor expressed in CHO cell membrane incubated for 1 hr by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 31.8, mcs nAts: 21 [#6,#8]-,=[#16](=[#8])(=,-[#8,#6])-[#7]1:[#6]:[#6]:[#6]2:[#6]:1:[#7]:[#6](:[#6]:[#6]:2-[#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6] Row: 2362 Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cells after 60 min Packard Cobra 2 gamma-counter * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 20 [#6]-[#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#6](-[#8])-[#6](-[#8])-[#6]2-[#6]-1-[#6]-2 Row: 2363 Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 8 [#6,#8]-,=[#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#7,#6]:,-[#6]:,-1 Row: 2364 Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 8 [#6,#8]-,=[#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#7,#6]:,-[#6]:,-1 Row: 2365 Inhibition of human N-terminal polyHis-tagged PI3K p110alpha expressed in baculovirus infected Hi5 cells using Phosphatidylinositol-4,5-bisphosphate as substrate after 20 mins by AlphaScreen assay * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 27 [#6]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1-[#7]-[#6]1:[#6]:[#7]:[#6](:[#6](:[#6]:1)-[#7]-[#16](-,=[#6,#7,#8])(=[#8])=,-[#8,#6,#7])-[#17,#6,#8] Row: 2366 Inhibition of human full length carbonic anhydrase 14 catalytic domain preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 17.6, mcs nAts: 8 [#6,#7]-,#[#16,#6,#7,#8]-[#6]1:[#6]:[#6,#7]:[#7,#6]:[#6,#7]:[#6]:1 Row: 2367 Displacement of [3H]U69,593 from human kappa opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 30 [#6]-[#6]1-[#6]2-[#6]-[#6]3:[#6](-[#6]-1(-[#6])-[#6]-[#6]-[#7]-2-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6](:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2368 Displacement of [3H]Naltrindole from human delta opioid receptor expressed in CHO cells after 3 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 30 [#6]-[#6]1-[#6]2-[#6]-[#6]3:[#6](-[#6]-1(-[#6])-[#6]-[#6]-[#7]-2-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6](:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2369 Displacement of [3H]DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 30 [#6]-[#6]1-[#6]2-[#6]-[#6]3:[#6](-[#6]-1(-[#6])-[#6]-[#6]-[#7]-2-[#6]-[#6]1-[#6]-[#6]-1):[#6]:[#6](:[#6]:[#6]:3)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2370 Displacement of [3H]-pyrilamine from human histamine H1 receptor expressed in recombinant CHOK1 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 20 [#6,#7,#8,#16]-[#8,#6,#7,#16]-[#6]-[#6]-[#6,#7]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#8,#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17] Row: 2371 Displacement of [125I]ABA from human recombinant adenosine A3 receptor by rapid filtration technique * postgresql://localhost/chembl_23 Mean nAts 38.0, mcs nAts: 20 [#6]-[#7]-[#6]1-,:[#7]-,:[#6]=,:[#7]-,:[#6]2:[#6]-,:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2372 Displacement of [125I]ABA from human recombinant adenosine A1 receptor by rapid filtration technique * postgresql://localhost/chembl_23 Mean nAts 38.0, mcs nAts: 20 [#6]-[#7]-[#6]1-,:[#7]-,:[#6]=,:[#7]-,:[#6]2:[#6]-,:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2373 Binding affinity to Toxoplasma gondii adenosine kinase after 20 mins by radioactivity method * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 26 [#8]-[#6]-[#6]1-[#6,#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#16]-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6](-[#6]-1-[#8])-[#8] Row: 2374 Displacement of FITC-AHx-GQVGRQLAIIGDDINR-NH2 from Bcl2 (unknown origin) after 1 hr by fluorescence polarization anisotropy assay * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 7 [#6,#8,#17]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2375 Displacement of [3H]melatonin from human melatonin MT2 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 15 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#6]-[#6]-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 2376 Displacement of [3H]iodoproxyfan from human histamine H3 receptor expressed in CHO-K1 cells * postgresql://localhost/chembl_23 Mean nAts 18.3, mcs nAts: 14 [#6]-[#6]-[#7]-[#6](=[#8,#7])-[#8,#16]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2377 Displacement of [3H]ZM241385 from human adenosine A2A receptor expressed in human HeLa cells after 1 hr by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 23.0, mcs nAts: 14 [#8]=[#6](-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#7]:1)-[#6,#7])-[#35,#6])-[#6]1-[#6]-[#6]-1 Row: 2378 Inhibition of human recombinant wild type CA2 by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 5.0, mcs nAts: 0 Row: 2379 Inhibition of human recombinant wild type CA1 by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 5.0, mcs nAts: 0 Row: 2380 Displacement of [3H]SP1-7 from NK1 receptor in Sprague-Dawley rat spinal cord membrane * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 14 [#6,#7]-[#6](-,=[#7,#6,#8])-[#6,#7]-[#7,#6]-[#6](-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-,=[#6,#7,#8] Row: 2381 Inhibition of [3H]5HT uptake at SERT in rat brain hippocampal synaptosomes by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 25 [#6]-[#7]1-[#6](-[#6]-[#6](=,-[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2382 Inhibition of [3H]DA uptake at DAT in rat brain striatal synaptosomes by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 25 [#6]-[#7]1-[#6](-[#6]-[#6](=,-[#8])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#6]-[#6]-1-[#6]-[#6](-,=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2383 Inhibition of glutamate carboxypeptidase 2 in human LNCaP cells by fluorescence based NAALADase assay * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 17 [#6]-[#6](-[#7]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=,-[#8])-,=[#8])-[#6](=[#8])-[#8] Row: 2384 Displacement of [3H](+)-pentazocine from sigma 1 receptor in guinea pig brain after 180 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 24.1, mcs nAts: 15 [#6]-[#6]-[#7](-[#6]-[#6]-[#6]1-,:[#8,#6]-,:[#6]-,:[#6]-,:[#6]:[#6]-,:1:,-[#6]:,-[#6])-[#6]-[#6] Row: 2385 Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv3273 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 8 [#6,#7,#8]-,=[#7,#6,#16]-[#6]1:,-[#6]:,-[#6,#7]:,-[#6,#16]:,-[#6]:[#6]:,-1 Row: 2386 Inhibition of Mycobacterium tuberculosis recombinant carbonic anhydrase Rv1284 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 8 [#6,#7,#8]-,=[#7,#6,#16]-[#6]1:,-[#6]:,-[#6,#7]:,-[#6,#16]:,-[#6]:[#6]:,-1 Row: 2387 Displacement of [125I]-iodoproxyfan from histamine H3 receptor in mouse brain cortex after 1 hr by gamma counting analysis * postgresql://localhost/chembl_23 Mean nAts 22.4, mcs nAts: 17 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2388 Displacement of [125I]-iodoproxyfan from human recombinant histamine H3 receptor expressed in HEK293 cells after 1 hr by gamma counting analysis * postgresql://localhost/chembl_23 Mean nAts 22.4, mcs nAts: 17 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2389 Displacement of [3H]pyrilamine from human histamine H1 receptor expressed in CHO Flp-In cells by liquid scintillation assay * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 24 [#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:1-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9,#6,#8] Row: 2390 Inhibition of human recombinant Abl * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 22 [#6]-[#16]-[#6]1:[#7]:[#6](-[#7]-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2)-[#6]-[#6](-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2391 Inhibition of human recombinant Src * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 22 [#6]-[#16]-[#6]1:[#7]:[#6](-[#7]-[#6]):[#6]2:[#6](:[#7]:1):[#7](:[#7]:[#6]:2)-[#6]-[#6](-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2392 Inhibition of rabbit muscle glycogen phosphorylase b * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 12 [#6,#8]-[#7,#6]-[#6]1-[#8]-[#6](-[#6])-[#6](-[#6](-[#6]-1-[#8])-[#8])-[#8] Row: 2393 Displacement of [33P]2-Mes-ADP from human recombinant P2Y1 receptor expressed in human U20S cells * postgresql://localhost/chembl_23 Mean nAts 30.2, mcs nAts: 22 [#6]-[#6]-[#6]1-[#6]-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]2:[#6](-[#7]-1-[#6](=[#8])-[#6,#7]):[#6]:[#6]:[#6]:[#6]:2 Row: 2394 Inhibition of [3H]5HT uptake at SERT in rat cortical synaptosomes * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 27 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2395 Displacement of [3H]5HT from human recombinant 5HT1D receptor * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 27 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2396 Displacement of [3H]5HT from human recombinant 5HT1B receptor * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 27 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2397 Displacement of [3H]WAY100635 from human recombinant 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 16 [#6]1:[#6](-[#8,#7]-[#6]-[#6]-[#7]2-[#6]-[#6]-[#7,#6](-[#6]-[#6]-2)-[#6]):[#6,#7]:[#6]:[#6]:[#6]:1 Row: 2398 Inhibition of human carbonic anhydrase 7 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 13 [#7,#8]-,=[#16](=[#8])(=,-[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]-2 Row: 2399 Inhibition of human carbonic anhydrase 14 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 13 [#7,#8]-,=[#16](=[#8])(=,-[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]-2 Row: 2400 Inhibition of human carbonic anhydrase 12 by CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 13 [#7,#8]-,=[#16](=[#8])(=,-[#8])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]-2 Row: 2401 Inhibition of MAOA in rat brain mitochondria * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 10 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6](-[#6,#7])-[#7,#6] Row: 2402 Displacement of [3H]LSD from human cloned 5HT6 receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 24 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1:[#7,#8]:[#6](:[#8,#7]:2)-[#7]1-[#6]-[#6]-[#7]-[#6]-[#6]-1 Row: 2403 Displacement of [3H]8-OH-DPAT from human 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 21 [#6]1:[#6]:[#6](-[#6]2-[#6]-[#6]-[#6]-[#7](-[#6]-2)-[#6]-[#6]-[#6]2:,-[#6]:,-[#16,#6,#7]:[#6,#7,#16]:,-[#7,#6]:,-2):[#7]:[#6](:[#7]:1)-[#7]-[#6] Row: 2404 Displacement of 3H]5HT from human 5HT1D receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 28 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6] Row: 2405 Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 28 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6] Row: 2406 Displacement of [125I]WAY100635 from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 34.0, mcs nAts: 28 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7,#6] Row: 2407 Displacement of [125I]-CCL2 from human CCR2 receptor expressed in human U2OS cell membranes * postgresql://localhost/chembl_23 Mean nAts 36.8, mcs nAts: 28 [#6]-[#6](-[#6])-[#6]1(-[#6](=[#8])-[#7]-[#6]-[#6]2:[#6]:[#6](-[#6](-[#9])(-[#9])-[#9]):[#6]:[#6](:[#6]:2)-[#6](-[#9])(-[#9])-[#9])-[#6]-[#6]-[#6](-[#6]-1)-[#7]-[#6] Row: 2408 Displacement of [3H]CP-55940 from human recombinant CB2 receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 28 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6]1-[#8]-[#6](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])=[#8])-[#8]-[#6](=[#8])-[#6] Row: 2409 Displacement of [3H]CP-55940 from human recombinant CB1 receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 28 [#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6](-[#6]-[#6]1-[#8]-[#6](-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-[#6])=[#8])-[#8]-[#6](=[#8])-[#6] Row: 2410 Inhibition of human cathepsin D * postgresql://localhost/chembl_23 Mean nAts 57.4, mcs nAts: 24 [#6]-[#7,#16]-[#6,#7](=,-[#8,#6])-[#6]1:[#6]:[#6](-[#6](=[#8])-[#7]-[#6](-[#6]-[#8]-[#6])-[#6](-[#8])-[#6]-[#6](=[#8])-[#7]-[#6]):[#6]:[#6]:[#6]:1 Row: 2411 Inhibition of dopamine D3 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 2412 Displacement of [3H]diprenorphine from human delta opioid receptor in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.0, mcs nAts: 21 [#6]1=,-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#8]-[#6]-12-[#6]-[#6]-[#7]-[#6]-[#6]-2 Row: 2413 Displacement of [3H]diprenorphine from human cloned delta receptor by cell based assay * postgresql://localhost/chembl_23 Mean nAts 43.6, mcs nAts: 11 [#6]-[#6]-[#6,#7]1:[#6]:[#7,#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2414 Displacement of [3H]diprenorphine from human cloned mu receptor by cell based assay * postgresql://localhost/chembl_23 Mean nAts 43.6, mcs nAts: 11 [#6]-[#6]-[#6,#7]1:[#6]:[#7,#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2415 Displacement of [3H]diprenorphine from human cloned kappa opioid receptor by cell based assay * postgresql://localhost/chembl_23 Mean nAts 43.6, mcs nAts: 11 [#6]-[#6]-[#6,#7]1:[#6]:[#7,#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2416 Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 8 [#6]-[#8,#7]-[#6]1:,-[#6]:,-[#6]:[#6]:,-[#6]:,-[#6]:,-1 Row: 2417 Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 8 [#6]-[#8,#7]-[#6]1:,-[#6]:,-[#6]:[#6]:,-[#6]:,-[#6]:,-1 Row: 2418 Displacement of [3H]NAMH from histamine H3 receptor in rat cortex * postgresql://localhost/chembl_23 Mean nAts 31.6, mcs nAts: 26 [#6]-[#6]1-[#6]2-[#6]-[#6]-[#6]3-[#6]-2(-[#6]-[#6]-[#6]2-[#6]-3-[#6]-[#6]=[#6]3-[#6]-2(-[#6]-[#6]-[#6](-[#6]-3)-[#7](-[#6,#16])-[#6,#16])-[#6])-[#6]-[#7]-1-[#6] Row: 2419 Displacement of [3H]spiperone form human cloned dopamine D3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 17 [#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#8]-[#6]2-[#6]-1-[#6]-[#6]-[#6]1:[#6]-2:[#6]:[#6]:[#6]:[#6]:1 Row: 2420 Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 22 [#8,#6,#16]=,-[#6]1:,-[#7]:,-[#6]2:[#6]:[#6](-[#9]):[#6]:[#6]:[#6]:2:,-[#7]:,-1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6]-[#7] Row: 2421 Displacement of [3H]spiroperidol from human cloned dopamine D3 receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 18 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#7,#6]-[#6,#7,#8]=,-[#8,#6] Row: 2422 Displacement of N-[3H]methylhistamine from histamine H3 receptor in rat cortex membrane * postgresql://localhost/chembl_23 Mean nAts 28.2, mcs nAts: 24 [#8,#6,#7]=,-[#6,#16](-,=[#6,#7,#8])-[#7]1-[#6]-[#6]2-[#6]-[#6]=[#6](-[#6]-2-[#6]-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-1 Row: 2423 Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor transfected in HEK293 cells after 1 hr by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 37.3, mcs nAts: 28 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]-[#6]1:[#7]:[#6]:[#6]:[#6]:[#6]:1-[#7]-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6](-[#9])(-[#9])-[#9] Row: 2424 Displacement of [3H]-(R,R')-methoxyfenoterol from human beta2 adrenergic receptor expressed in HEK cells by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 21 [#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6](-[#8]):[#6]:[#6](:[#6]:1)-[#8] Row: 2425 Displacement of [3H]haTRAP from PAR-1 isolated from human platelets by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 37.5, mcs nAts: 32 [#6]-[#6]1-[#8]-[#6](=[#8])-[#6]2-[#6]-1-[#6](-[#6]1-[#6]-[#6]-[#6](-[#6]-[#6]-1-[#6]-2)-[#6,#7]-,=[#8,#6,#7])-[#6]=[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9,#6] Row: 2426 Displacement of [3H]MRE2029F20 from human adenosine A2B receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 32 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6,#7]:[#6,#7]:[#7,#6](:[#7,#6]:3)-[#6,#7]-[#6](=[#8])-[#7,#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 2427 Displacement of [3H]MRE3008F20 from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 32 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6,#7]:[#6,#7]:[#7,#6](:[#7,#6]:3)-[#6,#7]-[#6](=[#8])-[#7,#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 2428 Displacement of [3H]ZM-241385 from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 32 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6,#7]:[#6,#7]:[#7,#6](:[#7,#6]:3)-[#6,#7]-[#6](=[#8])-[#7,#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 2429 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 35.0, mcs nAts: 32 [#6]-[#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]3:[#6,#7]:[#6,#7]:[#7,#6](:[#7,#6]:3)-[#6,#7]-[#6](=[#8])-[#7,#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6] Row: 2430 Inhibition of human transmembrane carbonic anhydrase 12 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]1:[#6,#7]:[#7,#6]:[#7,#6]:[#6,#7]:1 Row: 2431 Inhibition of human transmembrane carbonic anhydrase 9 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]1:[#6,#7]:[#7,#6]:[#7,#6]:[#6,#7]:1 Row: 2432 Inhibition of human cytosolic carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]1:[#6,#7]:[#7,#6]:[#7,#6]:[#6,#7]:1 Row: 2433 Inhibition of human cytosolic carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 24.5, mcs nAts: 15 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]1:[#6,#7]:[#7,#6]:[#7,#6]:[#6,#7]:1 Row: 2434 Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 22 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1-[#16,#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6](:[#7]:[#6]:3-[#7]-[#6])-[#17])-[#6](-[#6]-1-[#8])-[#8] Row: 2435 Displacement of [3H]-ZM 241385 from rat adenosine A2A receptor expressed in CHO cell membrane * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#6]1:[#6]:[#6](-[#6]):[#7](:[#7]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#6,#7]):[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#8]:1)-[#6] Row: 2436 Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in HEK293 cell membrane * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#6]1:[#6]:[#6](-[#6]):[#7](:[#7]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#6,#7]):[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#8]:1)-[#6] Row: 2437 Displacement of [3H]-ZM 241385 from human adenosine A2A receptor expressed in HEK293 cell membrane * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 24 [#6]-[#6]1:[#6]:[#6](-[#6]):[#7](:[#7]:1)-[#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6]-[#6,#7]):[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#8]:1)-[#6] Row: 2438 Displacement of [3H]mesulergine from human recombinant 5HT2C receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 14 [#6]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#8,#9] Row: 2439 Displacement of [3H]mesulergine from human recombinant 5HT2B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 14 [#6]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#8,#9] Row: 2440 Displacement of [3H]ketanserin from human recombinant 5HT2A receptor expressed in mouse NIH3T3 cells * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 14 [#6]-[#6]1:[#7]:[#6]:[#6]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#6,#8,#9] Row: 2441 Displacement of [3H]-N-alpha-methylhistamine from human histamine H3 receptor expressed in CHOK1 cells after 1.5 hrs by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 12 [#7,#6]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1-,:[#6]-,:[#6]-,:[#6,#7,#8]-,:[#6]-,:[#6]-,:1 Row: 2442 Inhibition of human recombinant carbonic anhydrase 12-mediated CO2 hydration after 6 hrs by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 17 [#6,#7]1:[#6,#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#6]=[#6]-[#16](-[#8]-3)(=[#8])=[#8]):[#7,#6]:[#7,#6]:1 Row: 2443 Inhibition of human recombinant carbonic anhydrase 9-mediated CO2 hydration after 6 hrs by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 17 [#6,#7]1:[#6,#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#6]=[#6]-[#16](-[#8]-3)(=[#8])=[#8]):[#7,#6]:[#7,#6]:1 Row: 2444 Inhibition of human recombinant carbonic anhydrase 2-mediated CO2 hydration after 6 hrs by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 17 [#6,#7]1:[#6,#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#6]=[#6]-[#16](-[#8]-3)(=[#8])=[#8]):[#7,#6]:[#7,#6]:1 Row: 2445 Inhibition of human recombinant carbonic anhydrase 1-mediated CO2 hydration after 6 hrs by stopped-flow assay * postgresql://localhost/chembl_23 Mean nAts 23.7, mcs nAts: 17 [#6,#7]1:[#6,#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#6]=[#6]-[#16](-[#8]-3)(=[#8])=[#8]):[#7,#6]:[#7,#6]:1 Row: 2446 Displacement of [125I]IL8 from human CXCR2 by SPA assay * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 29 [#6]-[#6]-[#6](-[#7]-[#6]1:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#8])-[#6](=[#8])-[#7](-[#6])-[#6]):[#6](:[#6]:1=[#8])=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2447 Inhibition of human factor 10a * postgresql://localhost/chembl_23 Mean nAts 37.8, mcs nAts: 24 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1:[#7]:[#6](-[#6](-[#7,#9])=,-[#8,#9]):[#6]:[#6]:1-[#6](=[#8])-[#6,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6] Row: 2448 Inhibition of human carbonic anhydrase 2 * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 8 [#7,#6,#8]-,=[#16,#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6]:,-[#6]:,-1 Row: 2449 Inhibition of human carbonic anhydrase 1 * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 8 [#7,#6,#8]-,=[#16,#6,#7,#8]-[#6]1:,-[#6,#8]:,-[#6,#7]:,-[#6,#16]:,-[#6]:,-[#6]:,-1 Row: 2450 Displacement of SAENTA-fluorescein from human ENT1 in K562 cells after 45 mins by flow cytometry * postgresql://localhost/chembl_23 Mean nAts 33.1, mcs nAts: 30 [#8]=[#7](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#16]-[#6]1:[#7]:[#6](-[#53,#7,#9,#17,#35]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8])-[#6](-[#6]-1-[#8])-[#8] Row: 2451 Displacement of [3H]PG2 from human CRTh2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 18.6, mcs nAts: 12 [#6]-[#6]1:[#6]:[#6](-[#17,#6,#8,#9,#35]):[#6]:[#6]:[#6]:1-[#8]-[#6]-[#6]=,-[#8,#6,#7] Row: 2452 Displacement of [3H]MSX2 from adenosine A2A receptor in rat striatal membrane * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6] Row: 2453 Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortical membrane * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 19 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6] Row: 2454 Displacement of FAM-Bid peptide from N-terminal 8x His-tagged MCl-1 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 9 [#6]-,=[#8,#6,#7]-,=[#6]1:[#6]:[#6]:[#6,#7](:[#6]:[#6]:1)-[#6,#7,#8] Row: 2455 Displacement of [3H]citalopram from SERT in Sprague-Dawley rat whole brain membranes after 1 hr by liquid scintillation spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 18 [#6]-[#7]-[#6]-[#6]-[#6](-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2456 Displacement of FAM-Bid peptide from N-terminal 8x His-tagged Bcl-2 (unknown origin) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 9 [#6]-,=[#8,#6,#7]-,=[#6]1:[#6]:[#6]:[#6,#7](:[#6]:[#6]:1)-[#6,#7,#8] Row: 2457 Displacement of FAM-p53TAD peptide from N-terminal 8x His-tagged human MDM2 (25 to 108 residues) expressed in Escherichia coli BL21 (DE3) after 30 mins by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 36.2, mcs nAts: 9 [#6]-,=[#8,#6,#7]-,=[#6]1:[#6]:[#6]:[#6,#7](:[#6]:[#6]:1)-[#6,#7,#8] Row: 2458 Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate assessed as free enzyme-inhibitor complex by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 15 [#6]-[#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2459 Displacement of [3H]N-alpha-methylhistamine from histamine H3 receptor in rat cortical membranes * postgresql://localhost/chembl_23 Mean nAts 26.0, mcs nAts: 21 [#7,#6]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]#[#7] Row: 2460 Displacement of [3H]SCH23390 from human dopamine D5 receptor by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 14 [#6]1:[#6]:[#6,#7]:[#6](:[#6,#7]:[#6]:1)-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 2461 Displacement of [3H]PSB298 from human adenosine A2B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 28.6, mcs nAts: 20 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6]1:[#7]:2-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6,#7,#8] Row: 2462 Displacement of [3H]CP-55940 from human CB1 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 25 [#6]-[#6]1:[#6]2:[#6](:[#7](:[#6]:1-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6])-[#6]-[#6]-[#7](-[#6]-2=[#8])-[#6,#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2463 Inhibition of GST-tagged human Wee1 * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 28 [#8]=[#6]1:[#6]2:[#6]:[#7]:[#6](:[#7]:[#6]:2:[#7]2:[#6](:[#7]:1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17]):[#7]:[#6]:[#6]:2)-[#7]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2464 Displacement of [3H]-naloxone from human mu opioid receptor expressed in CHO-K1 cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 30.5, mcs nAts: 26 [#8]=[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17])-[#17])-[#7]1-[#6]-[#6]-[#7]-[#6]2-[#6]-1-[#6](-[#6]-[#6]-[#6]-2)-[#7]1-[#6]-[#6]-[#6]-[#6]-1 Row: 2465 Displacement of [3H]-DPCPX from human adenosine A1 receptor expressed in CHO cells by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 17 [#6]-[#6]1:[#7]:[#6](-[#7]):[#6]2:[#6](:[#7]:1):[#6]:[#7](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2466 Inhibition of human His-tagged full length AURKA using kemptide peptide as substrate after 60 mins * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 24 [#6]1-,:[#6]-,:[#6]-,:[#6]2:[#6](-,:[#6]-,:1):[#7]:[#7]:[#6]:2-[#6](=[#8])-[#7]-[#6]1:[#6]:[#7]:[#7](:[#6]:1)-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2467 Displacement of [125I]7-HO-PIPAT from human D3R expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 12 [#6]-[#7]-[#6]-[#6](-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8] Row: 2468 Inhibition of NET * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 29 [#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-1 Row: 2469 Inhibition of DAT * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 29 [#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-1 Row: 2470 Inhibition of 5HTT * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 29 [#6]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]-[#6]1-[#6]-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#6]-[#6]-[#7]-1 Row: 2471 Inhibition of mouse 11beta-HSD1 expressed in Escherichia coli by SPA * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 15 [#6,#7]-[#6]-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#6]-3 Row: 2472 Inhibition of human 11beta-HSD1 expressed in Escherichia coli by SPA * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 15 [#6,#7]-[#6]-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)-[#6]-3 Row: 2473 Displacement of [3H]8-arginine-vasopressin from human oxytocin receptor expressed in CHO cell membrane incubated for 1 hr by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 70.1, mcs nAts: 68 [#6]-[#6]-[#6](-[#6])-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#8])-[#7]-[#6](=[#8])-[#6]-[#6]-[#16]-[#16]-[#6]-[#6](-[#7]-[#6](-[#6](-[#7]-[#6](-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6]-[#6](-[#7])=[#8])=[#8])-[#6]-[#6](-[#7])=[#8])=[#8])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6](-[#6]-[#6](-[#6])-[#6])-[#6](=[#8])-[#7]-[#6]-[#6](-[#7])=[#8] Row: 2474 Displacement of [125I]Ang2 from AT2 receptor in rat liver membrane * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 13 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1:[#6]:[#6]:[#7]:[#6]:1 Row: 2475 Antagonist activity at human OX1R by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6](-[#6]-1)-[#8]-[#6]1:[#6,#7]:[#6]:[#6,#7]:[#6]:[#6,#7]:1)-[#7,#6] Row: 2476 Binding affinity to human f10a * postgresql://localhost/chembl_23 Mean nAts 40.9, mcs nAts: 35 [#6]-[#6]1:[#7]:[#7](-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6](:[#7]:[#8]:3)-[#7]):[#6]2:[#6]:1:,-[#7]:,-[#6,#7]:,-[#7,#6](:,-[#6]:,-2=,-[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-[#7] Row: 2477 Displacement of [125I]iodo-MLA from alpha-7 nAChR in rat cerebral cortex * postgresql://localhost/chembl_23 Mean nAts 15.5, mcs nAts: 11 [#6,#7]-[#7,#6]-[#6]-[#6]=,-[#6,#8]-[#6]1:[#6]:[#6]:[#6]:[#7,#6]:[#6]:1 Row: 2478 Inhibition of human recombinant carbonic anhydrase 1 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#7,#6,#8,#16]-,=[#6,#7,#16](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2479 Inhibition of human recombinant carbonic anhydrase 2 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#7,#6,#8,#16]-,=[#6,#7,#16](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2480 Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#7,#6,#8,#16]-,=[#6,#7,#16](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2481 Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli pre-incubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 13.1, mcs nAts: 4 [#7,#6,#8,#16]-,=[#6,#7,#16](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2482 Binding affinity to 5HT2C * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 13 [#6]-[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]2-[#6]-1-[#6]-[#7]-[#6]-2 Row: 2483 Inhibition of [125I]NDP-alpha-MSH binding to human MC4R transfected in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 43.4, mcs nAts: 25 [#7,#6]-[#6]-[#6](-[#6])-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#7]-[#6](=[#8])-[#6,#7] Row: 2484 Displacement of [3H]-5-CT from human 5HT7 receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 38.0, mcs nAts: 19 [#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-,=[#6,#7,#8] Row: 2485 Displacement of [3H]-8-OH-DPAT from human 5HT1A receptor expressed in HEK293 cells after 1 hr * postgresql://localhost/chembl_23 Mean nAts 38.0, mcs nAts: 19 [#6,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#6]-,=[#6,#7,#8] Row: 2486 Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay * postgresql://localhost/chembl_23 Mean nAts 23.1, mcs nAts: 13 [#6]1:[#6,#7]:[#6](-[#6]#[#6]-[#6]2:[#6,#7]:[#7,#6]:[#6,#7]:[#7,#6]:2):[#6]:[#6,#7]:[#7,#6]:1 Row: 2487 Displacement of [3H](+)Pentazocine from sigma 1 receptor in human Jurkat cells after 120 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 23.6, mcs nAts: 6 [#6,#7]1:,-[#6]:,-[#6,#8]:,-[#6,#8,#16]:,-[#6]:,-[#6,#7]:,-1 Row: 2488 Binding affinity to MCT1 by FB assay * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 25 [#6,#8]-,=[#16,#6]-[#6]1:[#6,#7](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#16,#6]:[#6]2:[#6]:1:[#6](=[#8]):[#7](-[#6]):[#6](:[#7]:2-[#6]-[#6](-[#6])-[#6])=[#8] Row: 2489 Displacement of [125I]BH-CCK-8S from human recombinant CCK2 receptor expressed in NIH3T3 cells * postgresql://localhost/chembl_23 Mean nAts 37.4, mcs nAts: 33 [#6,#8]-,=[#6](=,-[#8,#6,#7])-[#6]-[#7]1-[#6](=[#8])-[#7,#6](-[#6,#7]-[#6](=[#8])-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2)-[#8,#6,#7])-[#7]=[#6](-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6,#7]-,:1 Row: 2490 Inhibition of HIV1 protease * postgresql://localhost/chembl_23 Mean nAts 50.6, mcs nAts: 44 [#6]-[#8]-[#6](=[#8])-[#7]-[#6](-[#6](=[#8])-[#7]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6](-[#8])(-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6]-[#6]-1-[#8])-[#6](-[#6])(-[#6])-[#6] Row: 2491 Inhibition of recombinant human cytosolic form of carbonic anhydrase-1 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 20 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2492 Inhibition of recombinant human cytosolic form of carbonic anhydrase-2 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 20 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2493 Inhibition of recombinant human transmembrane, tumor-associated form of carbonic anhydrase-9 preincubated for 15 mins by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.5, mcs nAts: 20 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#7]=,-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2494 Displacement of [3H]8-OH-DPAT from 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 12 [#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#7]-[#6]-[#6](-[#8]-2)-[#6]-[#7] Row: 2495 Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-1 transfected in CHO cell membranes after 120 mins * postgresql://localhost/chembl_23 Mean nAts 18.6, mcs nAts: 13 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6] Row: 2496 Displacement of 2-[125I]-iodomelatonin from human melatonin receptor-2 transfected in CHO cell membranes after 120 mins * postgresql://localhost/chembl_23 Mean nAts 18.6, mcs nAts: 13 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#7]:2)-[#6]-[#6] Row: 2497 Inhibition of human recombinant PAK4 kinase domain using coumarin/fluorescein-labeled FRET peptide as substrate assessed as substrate phosphorylation at Ser/Thr19 preincubated for 10 mins followed by ATP addition measured after 60 mins by Z'-LYTE assay * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 16 [#7]-[#6]1:[#6,#7]:[#6](-[#7]-[#6]2:[#6]:[#6](-[#6]3-[#6]-[#6]-3):[#7]:[#7]:2):[#6]:[#6]:[#7,#6]:1 Row: 2498 Displacement of [3H]CP-55,940 from human CB2 receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 17 [#6]-[#6]-[#8,#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#7]:1)-[#8]-[#6]-[#6]1-[#6]-[#6]-1)-[#6,#7] Row: 2499 Displacement of [3H]SR141716A from human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 19 [#8,#6]=,-[#6]1-,:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-,:[#7](-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-,:[#6,#7]-,:[#7,#6]-,:1-[#6] Row: 2500 Binding affinity for human 5-hydroxytryptamine 2C receptor expressed in HEK 293 cells using [3H]mesulergine * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 9 [#6,#9]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1-[#8,#6] Row: 2501 Binding affinity for human 5-hydroxytryptamine 2A receptor expressed in HEK 293 cells using [3H]ketanserin * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 9 [#6,#9]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1-[#8,#6] Row: 2502 Binding affinity for human 5-hydroxytryptamine 2B receptor expressed in HEK 293 cells using [3H]5-HT * postgresql://localhost/chembl_23 Mean nAts 30.0, mcs nAts: 9 [#6,#9]-[#8,#6]-[#6]1:[#6]:[#6]:[#6]:[#6,#7]:[#6]:1-[#8,#6] Row: 2503 In vitro inhibition of aspartic protease plasmepsin-1 (Plm) of Plasmodium falciparum. * postgresql://localhost/chembl_23 Mean nAts 41.8, mcs nAts: 21 [#8]=[#6](-[#6]-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#6])-,=[#6,#8])-[#7]-[#6] Row: 2504 Displacement of [3H]-DAMGO from human mu opioid receptor expressed in CHO cells after 60 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 119.5, mcs nAts: 46 [#6,#7]-[#6](-,=[#6,#7,#8])-[#6]-[#6,#7]-[#7,#6]-[#6](=,-[#8,#6])-[#6,#7]-[#7,#6]-[#6](=,-[#8,#6])-[#6,#7]-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-[#6](-,=[#6,#8])-[#7]-[#6](=,-[#8,#6])-[#6](-,=[#6,#8])-[#7]-[#6](=,-[#8,#6])-[#6]-[#7]-[#6](=,-[#8,#6])-[#6](-[#7]-[#6](=,-[#8,#6])-[#6]-[#6,#8]-[#6]1:,-[#6,#8]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#8])-,=[#6,#8] Row: 2505 Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry * postgresql://localhost/chembl_23 Mean nAts 24.4, mcs nAts: 8 [#6,#8]#,-,=[#6,#7]-,=[#6,#7]1:,-[#6]:,-[#6,#7]:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-1 Row: 2506 Displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from mGlu5 receptor of rat cortical membrane * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 14 [#6,#16](#,-[#6,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#7,#6]:,-1)-[#6,#7]1=,-,:[#6]-,:[#6]-,=,:[#6,#7]-,:[#6]-,:[#6,#7]-,:1 Row: 2507 Inhibition of [3H]DAMGO binding to mu opioid receptor of rat brain membranes * postgresql://localhost/chembl_23 Mean nAts 35.1, mcs nAts: 25 [#6]=[#6]-[#6]-[#7]1-[#6]-[#6](-[#6])-[#7](-[#6]-[#6]-1-[#6])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6,#8] Row: 2508 Displacement of [3H]BMS-599240 from BACE1 (unknown origin) expressed in HEK293 cells at pH 6.4 after 1.5 hrs by Microbeta liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 8 [#6]1:[#6](-[#17,#6]):[#6]:[#6]:[#6]:[#6]:1-[#17] Row: 2509 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 8 [#8,#6]=,-[#6]1:,-[#6,#8]:,-[#6](-,=[#6,#8]):,-[#8,#6]:,-[#6]:,-[#6,#8]:,-1 Row: 2510 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 8 [#8,#6]=,-[#6]1:,-[#6,#8]:,-[#6](-,=[#6,#8]):,-[#8,#6]:,-[#6]:,-[#6,#8]:,-1 Row: 2511 Inhibition of human recombinant carbonic anhydrase 7 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 8 [#8,#6]=,-[#6]1:,-[#6,#8]:,-[#6](-,=[#6,#8]):,-[#8,#6]:,-[#6]:,-[#6,#8]:,-1 Row: 2512 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 29.7, mcs nAts: 8 [#8,#6]=,-[#6]1:,-[#6,#8]:,-[#6](-,=[#6,#8]):,-[#8,#6]:,-[#6]:,-[#6,#8]:,-1 Row: 2513 Binding affinity towards human 5-hydroxytryptamine receptor 5A expressed in CHO cells using the radioligand [3H]LSD * postgresql://localhost/chembl_23 Mean nAts 44.2, mcs nAts: 21 [#6]-[#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6,#7]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]-[#7])-[#6,#16](=[#8])-,=[#6,#7,#8] Row: 2514 Displacement of [3H]N-R-methylhistamine binding to SK-N-MC cell membranes expressing human H3 receptor * postgresql://localhost/chembl_23 Mean nAts 16.4, mcs nAts: 8 [#6,#7]-[#6]-,=[#6,#7]1-,:[#6]-,:[#6]-,:[#7,#6]-,:[#6]-,:[#6]-,:1 Row: 2515 Inhibition of human carbonic anhydrase-1 assessed as CO2 hydration activity by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]=,-[#8,#6,#7] Row: 2516 Inhibition of human carbonic anhydrase-2 assessed as CO2 hydration activity by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]=,-[#8,#6,#7] Row: 2517 Inhibition of human carbonic anhydrase-9 assessed as CO2 hydration activity by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]=,-[#8,#6,#7] Row: 2518 Inhibition of human carbonic anhydrase-12 assessed as CO2 hydration activity by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]=,-[#8,#6,#7] Row: 2519 Inhibition of human carbonic anhydrase-14 assessed as CO2 hydration activity by stopped-flow method * postgresql://localhost/chembl_23 Mean nAts 23.4, mcs nAts: 18 [#7]-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6,#7]=,-[#8,#6,#7] Row: 2520 Binding affinity for human growth hormone secretagogue receptor using [125I]ghrelin; NM means not measured * postgresql://localhost/chembl_23 Mean nAts 38.5, mcs nAts: 19 [#6]-[#7](-[#6](=[#8])-[#6]1:[#6,#16]:[#6,#7]:[#6](:[#7,#6,#8]:1)-[#6])-[#6]-[#6]-[#7,#6]-[#6,#7]1-[#6]-[#6]-[#6,#8]-[#6]-[#6]-1 Row: 2521 Inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor from rat hippocampus * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 16 [#7,#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#8] Row: 2522 BindingDB_Patents: In Vitro Inhibition Assay. In vitro cathepsin inhibition assay. * postgresql://localhost/chembl_23 Mean nAts 34.9, mcs nAts: 24 [#6]-[#6](-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6])-[#6](=[#8])-[#7]1-[#6]-[#6](-[#6])-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8] Row: 2523 Inhibitory activity against beta carbonic anhydrase (Cab) from Methanobacterium thermoautotrophicum * postgresql://localhost/chembl_23 Mean nAts 14.6, mcs nAts: 5 [#7,#6,#8]-[#16,#6](=,-[#8,#7,#9])(=,-[#8,#9])-,=[#8,#6,#7,#9] Row: 2524 BindingDB_Patents: Inhibition Assay. The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Stürzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)). * postgresql://localhost/chembl_23 Mean nAts 47.9, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2525 BindingDB_Patents: Inhibition Assay. Inhibition of human FXIa was determined by the method described in [0092]-[0098] using activated human Factor XI from Enzyme Research Laboratories at 96 ng/mL and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 5 mM, 4 mM, and 2 mM as substrate; results are reported as Ki values (nanomolar). * postgresql://localhost/chembl_23 Mean nAts 47.9, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2526 BindingDB_Patents: Inhibition Assay. Inhibition of human aPC was determined by the method described in [0092]-[0098] using human activated protein C from Enzyme Research Laboratories at 2.2 nM and H-D-Lys(Cbo)-Pro-Arg-pNA (Pefachrome PCa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar). * postgresql://localhost/chembl_23 Mean nAts 47.9, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2527 BindingDB_Patents: Inhibition Assay. Inhibition of human FXa was determined by the method described in [0092]-[0098] using activated human Factor X from Enzyme Research Laboratories at 5 mIU/mL and MeOCO-d-Cha-Gly-Arg-pNA (Pefachrome FXa) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar). * postgresql://localhost/chembl_23 Mean nAts 47.9, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2528 BindingDB_Patents: FRET-Based Binding Assay. Assay protocol: Compounds were evaluated on an in-vitro binding assay developed based on the technology described in the patent WO 98/55873. This assay was developed from hA2A receptor that was fused at its amino terminal domain to Green Fluorescent Protein (GFP) and stably expressed in HEK cells. The probe used is a dyed ligand derived from the non-selective CGS15943. For the FRET-binding experiment, HEK GFP-A2A stable cell line was seeded onto poly-D-lysine precoated black-walled 96-well plates in normal growth media (0.7 105 cells per well). After 24 hours of culture at 37° C., the cell media was removed and cells were washed. The tested compounds were applied on cells by the FLIPRTETRA® (Molecular Devices®) and incubated for 10 minutes prior to addition of the dyed probe. When a drug interacts with the receptor, the FRET signal measured by the variation of GFP fluorescence at 510 nm is disrupted. The time curves of ligand binding were recorded during 1000 seconds. * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 10 [#6,#7]-[#6,#7]1:[#6,#7]:[#7,#6,#8]:[#6]2:[#7,#6]:1:[#6,#7]:[#6]:[#6]:[#6]:2 Row: 2529 Inhibition of [125I]NDP-MSH binding to human Melanocortin 5 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 29 [#7]=,-[#6](-,=[#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17])-,=[#7]-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2530 Inhibitory activity against alpha carbonic anhydrase (Zn-Cam) from Methanosarcina thermophila * postgresql://localhost/chembl_23 Mean nAts 14.6, mcs nAts: 5 [#7,#6,#8]-[#16,#6](=,-[#8,#7,#9])(=,-[#8,#9])-,=[#8,#6,#7,#9] Row: 2531 Inhibitory activity against alpha carbonic anhydrase (Co-Cam) from Methanosarcina thermophila * postgresql://localhost/chembl_23 Mean nAts 14.6, mcs nAts: 5 [#7,#6,#8]-[#16,#6](=,-[#8,#7,#9])(=,-[#8,#9])-,=[#8,#6,#7,#9] Row: 2532 Binding affinity for Lysophosphatidic acid receptor 3 expressed in RH7777 rat hepatoma cells * postgresql://localhost/chembl_23 Mean nAts 20.3, mcs nAts: 14 [#6]-[#6]-[#6]-[#6]-[#6]-,=[#6,#8]-[#6,#7]-[#6]-[#6]-[#6,#8]-[#15,#6](=,-[#8,#9])(-[#8,#9])-,=[#8,#15,#16] Row: 2533 Inhibitory constant against dopamine D2 receptor using 0.2 nM [3H]-spiperone * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 9 [#6,#8]-,=[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#6,#7](-,:[#6]-,:[#6]-,:1)-[#6,#9] Row: 2534 Inhibitory activity against human carbonic anhydrase II at 0.01 uM * postgresql://localhost/chembl_23 Mean nAts 14.6, mcs nAts: 5 [#7,#6,#8]-[#16,#6](=,-[#8,#7,#9])(=,-[#8,#9])-,=[#8,#6,#7,#9] Row: 2535 Inhibitory activity against human carbonic anhydrase I at 0.09 uM * postgresql://localhost/chembl_23 Mean nAts 14.6, mcs nAts: 5 [#7,#6,#8]-[#16,#6](=,-[#8,#7,#9])(=,-[#8,#9])-,=[#8,#6,#7,#9] Row: 2536 BindingDB_Patents: FLIPR Assay. The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 uM) are pipetted onto the cells and the Ca2+ influx is compared with the control (capsaicin 10 uM). This provides the result in % activation based on the Ca2+ signal after the addition of 10 uM of capsaicin (CP). After 5 minutes' incubation, 100 nM of capsaicin are applied and the Ca2+ influx is also determined.Desensitising agonists and antagonists lead to suppression of the Ca2+ influx. The % inhibition is calculated compared to the maximum achievable inhibition with 10 uM of capsazepine.Triple analyses (n=3) are carried out and repeated in at least 3 independent experiments (N=4).Starting from the percentage displacement caused by different concentrations of the compounds to be tested of general formula I, IC50 inhibitory concentrations which cause a 50-percent displacement of capsaicin were calculated. * postgresql://localhost/chembl_23 Mean nAts 36.0, mcs nAts: 33 [#6,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]1:[#7,#6]:[#6](-[#6](-[#9,#6])(-[#9,#6])-[#9,#6]):[#6]:[#6]:[#6]:1-[#6]-[#7]-[#6](=[#8])-[#7,#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#16,#6](=,-[#8,#6,#7])=,-[#8] Row: 2537 Inhibitory concentration against the plasmepsin-1 of Plasmodium falciparum * postgresql://localhost/chembl_23 Mean nAts 44.6, mcs nAts: 21 [#8]=[#6](-[#6]-[#6](-[#8])-[#6](-[#6]-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6])-[#7]-[#6] Row: 2538 BindingDB_Patents: Binding Assay. Binding assay using NET, DAT and SERT enzyme. * postgresql://localhost/chembl_23 Mean nAts 16.5, mcs nAts: 15 [#6,#9,#17]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9,#6,#17])-[#6]12-[#6]-[#6]-1-[#6]-[#7](-[#6]-2)-[#6] Row: 2539 Binding affinity against 5 Hydroxy tryptamine 6 receptor * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 7 [#8,#6,#7,#16,#35]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2540 BindingDB_Patents: Inhibition Assay. The inhibitory effect for the individual enzymes was determined in analogy to a previously disclosed method (Sturzebecher et al., J. Med. Chem., 40, 3091-3099 (1997)). * postgresql://localhost/chembl_23 Mean nAts 47.9, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2541 Inhibitory activity against monoamine oxidase B in isolated bovine brain mitochondria * postgresql://localhost/chembl_23 Mean nAts 16.1, mcs nAts: 10 [#6,#8]-,=[#7,#6]-[#6,#7]-[#6,#8]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-1 Row: 2542 Inhibition of human Thyroid hormone receptor alpha * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2543 Binding affinity to human recombinant glucocorticoid receptor by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 39.7, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6](-[#6]-1)(-[#6]-[#6]1:[#6](-[#6]=2):[#7](:[#7]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6](=[#8])-[#6] Row: 2544 Antagonist activity at glucocorticoid receptor in human HepG2 cells assessed as inhibition of glucocorticoid-induced TAT activity after 24 hrs * postgresql://localhost/chembl_23 Mean nAts 39.7, mcs nAts: 32 [#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#16](=[#8])(=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6](-[#6]-1)(-[#6]-[#6]1:[#6](-[#6]=2):[#7](:[#7]:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9])-[#6](=[#8])-[#6] Row: 2545 Compound was evaluated for its binding affinity against Histamine H3 receptor of guinea pig brain membrane * postgresql://localhost/chembl_23 Mean nAts 25.3, mcs nAts: 18 [#8]=[#6](-[#7]-[#6])-[#8,#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2546 Evaluated for the percent binding affinity against H1 receptor by an H1 histamine-mediated bronchospasm * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 14 [#8]=[#16](=[#8])(-[#7]-[#6]-[#6]-[#6]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2547 Inhibition of human Thyroid hormone receptor beta * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2548 Inhibition of human Mineralocorticoid receptor * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2549 Inhibitory activity towards human Melanocortin 4 Receptor * postgresql://localhost/chembl_23 Mean nAts 45.3, mcs nAts: 16 [#7]=,-[#6](-[#7])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#6])-[#6](=,-[#8,#7])-,=[#7,#8] Row: 2550 Inhibitory activity towards human Melanocortin 1 Receptor * postgresql://localhost/chembl_23 Mean nAts 45.3, mcs nAts: 16 [#7]=,-[#6](-[#7])-,=[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#6])-[#6](=,-[#8,#7])-,=[#7,#8] Row: 2551 Displacement of [3H]R-alpha-methyl histamine from recombinant human H3 receptor * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 16 [#7,#6,#8]-,=[#6](=,-[#8,#6,#7])-[#6,#7]1:,-[#6]:,-[#6]:,-[#6](:,-[#6]:,-[#6]:,-1)-[#8]-[#6]1-,:[#6]-,:[#6]-,:[#8,#6,#7]-,:[#6]-,:[#6]-,:1 Row: 2552 Inhibition of human glucocorticoid receptor * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2553 Inhibition of human Estrogen receptor alpha * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2554 Inhibition of human Estrogen receptor beta * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2555 Inhibitory constant against HIV-1 reverse transcriptase * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 20 [#7]-[#6]1-[#6]-,=[#16,#6]-[#6](-[#8,#6]-1)-[#6]-[#8]-[#15](=,-[#8,#5])(-,=[#8])-[#8]-[#15](=[#8])(-[#8])-[#8,#6]-[#15](=[#8])(-[#8])-[#8] Row: 2556 Inhibition of human progesterone receptor * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2557 Inhibition of human androgen receptor * postgresql://localhost/chembl_23 Mean nAts 60.8, mcs nAts: 34 [#6]#[#6]-[#6]1(-[#8])-[#6]-[#6]-[#6]2-[#6]-1(-[#6]-[#6](-[#6]1-[#6]-2-[#6]-[#6]-[#6]2-[#6]=1-[#6]-[#6]-[#6](-[#6]=2)=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7](-[#6])-[#6]-[#6]-[#8,#6,#7]-[#6,#8,#16])-[#6] Row: 2558 Inhibitory constant against human Carbonic anhydrase IX * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 7 [#7,#16]-[#6]1:[#7]:[#7]:[#6](:[#16,#7]:1)-[#16,#6] Row: 2559 Inhibitory constant against human Carbonic anhydrase II * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 7 [#7,#16]-[#6]1:[#7]:[#7]:[#6](:[#16,#7]:1)-[#16,#6] Row: 2560 Inhibitory constant against human Carbonic anhydrase I * postgresql://localhost/chembl_23 Mean nAts 20.5, mcs nAts: 7 [#7,#16]-[#6]1:[#7]:[#7]:[#6](:[#16,#7]:1)-[#16,#6] Row: 2561 Inhibitory activity against coagulation factor Xa * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 22 [#6]-[#6](-[#6])-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]:1-[#6] Row: 2562 Binding affinity towards kappa-opioid receptor by displacement of [3H]EKC at 10 nM from guinea pig cortical tissue * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 17 [#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 2563 In vitro inhibitory activity against bovine trypsin * postgresql://localhost/chembl_23 Mean nAts 37.0, mcs nAts: 21 [#7]-[#6](-[#6]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1)-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]-[#6]-1-[#6](=[#8])-[#7]-[#6]-[#6] Row: 2564 Competitive inhibition of trypsin * postgresql://localhost/chembl_23 Mean nAts 36.5, mcs nAts: 18 [#6,#16]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#9,#6,#7])-[#7]-[#6]-[#6] Row: 2565 Sigma opioid receptor type 2 affinity in rat liver by employing [3H]ditolylguanidine as radioligand * postgresql://localhost/chembl_23 Mean nAts 23.5, mcs nAts: 8 [#6]1:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6,#8]:,-[#6,#7]:,-1-[#7,#6,#8]-[#6,#7,#8] Row: 2566 Inhibitory constant was determined against class A RTEM-1 Beta-lactamase from Escherichia coli * postgresql://localhost/chembl_23 Mean nAts 12.0, mcs nAts: 8 [#8,#6]-,=[#5,#6,#7,#8]-[#6]1:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2567 Displacement of mixture of 4- and 5-(N-(7-(1-(2-((6-(3-carboxy-4-(6-hydroxy-3-oxo-3Hxanthen-9-yl)benzamido)hexyl)amino)-2-oxoethyl)-3,5-dimethyl-1H-pyrazol-4-yl)-6-chloro-3-(3-(4-chloro-3,5-dimethylphenoxy)propyl)-1H-indole-2-carbonyl)sulfamoyl)furan-2-carboxylic acid from N-terminal His-tagged human Mcl-1 (172 to 327 residues) expressed in Escherichia coli BL21(DE3) after 1.5 hrs by FPA assay * postgresql://localhost/chembl_23 Mean nAts 47.8, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6](-[#8]-[#6]-[#6]-[#6]-[#6]2:[#6](-[#6](=[#8])-[#7]-[#16](=,-[#8,#6])(=[#8])-,=[#6,#8]):[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3-[#6]):[#6]:[#6](:[#6]:1-[#17])-[#6] Row: 2568 Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.0, mcs nAts: 16 [#7]-[#6]1:[#7]:[#6](-[#8,#7]):[#7]:[#6]2:[#7]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 2569 Displacement of [3H]N-methylspiperone from human dopamine D3 receptor by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 23 [#9]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8,#6,#16]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6,#7]:[#6]:[#6]:[#6]:[#6,#7]:1 Row: 2570 Binding affinity to human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 20.7, mcs nAts: 12 [#7,#8]-,=[#6](=,-[#8,#7])-[#6]1:[#6,#7]:[#7,#6]2:[#6]:[#6]:[#7,#6]:[#6,#7]:[#6]:2:[#7]:1 Row: 2571 Inhibition of human carbonic anhydrase 2 esterase activity using 4-nitrophenylacetate as substrate * postgresql://localhost/chembl_23 Mean nAts 17.1, mcs nAts: 7 [#6,#8,#16]-,=[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2572 Inhibition of human carbonic anhydrase 1 esterase activity using 4-nitrophenylacetate as substrate * postgresql://localhost/chembl_23 Mean nAts 17.1, mcs nAts: 7 [#6,#8,#16]-,=[#6]1-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:[#6]-,:1 Row: 2573 Displacement of [125I]alpha-bungarotoxin from alpha7 nAChR in Sprague-Dawley rat cerebral cortex by beta counting * postgresql://localhost/chembl_23 Mean nAts 17.9, mcs nAts: 16 [#8,#6,#35]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#8]-[#6](-[#6]1-[#6,#7]-[#6]-[#6]-[#7,#6]-1)-[#6]-[#8]-2 Row: 2574 Inhibition human recombinant cSRC using KVEKIGEGTYGVVYK peptide substrate in presence of [gamma-32P]-ATP * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 19 [#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#7]:[#7]:2-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2575 Displacement of [3H]NAMH from rat cloned histamine 3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 23 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:[#7,#6]:1)=[#8] Row: 2576 Displacement of [3H]NAMH from human cloned histamine 3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 23 [#6]-[#6]1-[#6]-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6,#7]:1)-[#6]1:[#6,#7]:[#6,#7]:[#6](:[#7,#6]:[#7,#6]:1)=[#8] Row: 2577 Inhibition of human butyrylcholinesterase using butyrylthiocholine as substrate by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 6 [#6,#8]-,=[#6](=,-[#8,#6,#7,#16])-[#6](-,=[#6,#8,#35])=,-[#8,#6,#7,#16] Row: 2578 Inhibition of human acetylcholinesterase using acetylthiocholine as substrate by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 6 [#6,#8]-,=[#6](=,-[#8,#6,#7,#16])-[#6](-,=[#6,#8,#35])=,-[#8,#6,#7,#16] Row: 2579 Inhibition of rabbit liver carboxylesterase using o-nitrophenyl acetate as substrate after for 5 mins by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 6 [#6,#8]-,=[#6](=,-[#8,#6,#7,#16])-[#6](-,=[#6,#8,#35])=,-[#8,#6,#7,#16] Row: 2580 Inhibition of human intestinal carboxylesterase using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 6 [#6,#8]-,=[#6](=,-[#8,#6,#7,#16])-[#6](-,=[#6,#8,#35])=,-[#8,#6,#7,#16] Row: 2581 Inhibition of human liver carboxylesterase1 using o-nitrophenyl acetate as substrate after 5 mins by spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 14.9, mcs nAts: 6 [#6,#8]-,=[#6](=,-[#8,#6,#7,#16])-[#6](-,=[#6,#8,#35])=,-[#8,#6,#7,#16] Row: 2582 Displacement of [3H]-PGE2 from mouse EP1 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 15 [#6]-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7,#6]-1-[#6]-[#6]-,=[#6,#16])=[#8] Row: 2583 Displacement of [3H]-PGE2 from mouse EP2 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 15 [#6]-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7,#6]-1-[#6]-[#6]-,=[#6,#16])=[#8] Row: 2584 Displacement of [3H]-PGE2 from mouse EP4 receptor expressed in CHO cells after 60 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.8, mcs nAts: 15 [#6]-[#6]-[#6](-[#8])-[#6]=[#6]-[#6]1-[#6]-[#6]-[#6](-[#7,#6]-1-[#6]-[#6]-,=[#6,#16])=[#8] Row: 2585 Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2586 Displacement of [3H]-MPEPy from human mGluR5 expressed in HEK293FT cells after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 19 [#6]-[#6]1:[#7]:[#7](-[#6]):[#6]2:[#6]:1:[#6,#7]:[#6]:[#6](:[#7]:2)-[#8]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1 Row: 2587 Displacement of [3]DPCPX from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 24.2, mcs nAts: 20 [#6]-[#8,#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#7]2:[#6]:1:[#7]:[#6](:[#7]:2)-[#6]1:[#6,#8]:[#6]:[#6]:[#8,#6]:1 Row: 2588 Inhibition of human cytosolic carbonic anhydrase 1 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2589 Displacement of [3H]NAMH from rat histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 21 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6](:,-[#7,#6]:,-[#7,#6]:,=1)=[#8] Row: 2590 Inhibition of human cytosolic carbonic anhydrase 2 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2591 Displacement of [3H]GR113808 from human recombinant 5HT4R expressed in HEK293T cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 25 [#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#8]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2:[#6]2:[#6]:1:[#6]:[#6]:[#6,#7]:[#6,#7]:2 Row: 2592 Inhibition of human transmembrane carbonic anhydrase 9 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2593 Inhibition of human transmembrane carbonic anhydrase 12 by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 22.8, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2594 Binding affinity for Plasmodium falciparum plasmepsin-2. * postgresql://localhost/chembl_23 Mean nAts 41.9, mcs nAts: 25 [#6,#8]-,=[#6](-[#6])-[#6,#7](-[#7,#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7,#6]:1)-[#6]-[#7,#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6,#7]-[#6]-,=[#7,#6,#8] Row: 2595 Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr * postgresql://localhost/chembl_23 Mean nAts 74.0, mcs nAts: 51 [#6]-[#6](=,-[#8,#6])-[#7,#6]-[#6](-[#6,#7]-[#6](-,=[#6,#8])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6]-[#7,#6]-[#6,#7])-[#6](=[#8])-[#7]-[#6](-[#6]-[#7,#6]-[#6]-[#6,#7]-[#6]-,=[#6,#7])-[#6](-[#6,#7])-,=[#6,#8] Row: 2596 Inhibition of human recombinant furin expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr * postgresql://localhost/chembl_23 Mean nAts 74.0, mcs nAts: 51 [#6]-[#6](=,-[#8,#6])-[#7,#6]-[#6](-[#6,#7]-[#6](-,=[#6,#8])-,=[#6,#8])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6])-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6]-[#7,#6]-[#6,#7])-[#6](=[#8])-[#7]-[#6](-[#6]-[#7,#6]-[#6]-[#6,#7]-[#6]-,=[#6,#7])-[#6](-[#6,#7])-,=[#6,#8] Row: 2597 Ability to displace [3H]3-methoxy-5-(pyridin-2-ylethynyl)pyridine from binding to metabotropic glutamate receptor 5 in rat cortical membranes * postgresql://localhost/chembl_23 Mean nAts 21.0, mcs nAts: 18 [#6,#8,#9,#17]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#7]1:[#7,#6]:[#7,#6]:[#6](:[#7,#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#7]:1 Row: 2598 Binding affinity to F10A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 42.8, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#7]:[#6]:3-[#7])-[#6](=,-[#8,#7])-,=[#7,#8]):[#6]:[#6]:[#6]:1 Row: 2599 Displacement of [125I]]-alpha-bungarotoxin from alpha7 nAChR in rat hippocampus membranes by liquid scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 15.0, mcs nAts: 9 [#6,#7]1:[#6]:[#6,#7]:[#6]:[#6](:[#6]:1)-[#8]-[#6]-[#6] Row: 2600 Binding affinity to F11A (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 42.8, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#7]:[#6]:3-[#7])-[#6](=,-[#8,#7])-,=[#7,#8]):[#6]:[#6]:[#6]:1 Row: 2601 Inhibition of human POP expressed in Escherichia coli BL21 pre-incubated for 30 mins before ZGP-pNA substrate addition * postgresql://localhost/chembl_23 Mean nAts 27.2, mcs nAts: 19 [#8]=[#6]1-[#6]2-,:[#6](-,:[#6]=,:[#6]-,:[#6]-,:[#6]-,:2-[#6](=[#8])-[#7]2-[#6]-[#6]-[#6]-[#6]-2)-[#6]-[#7]-1-[#6,#7,#8]-[#6] Row: 2602 Binding affinity to thrombin (unknown origin) assessed as p-nitroaniline release by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 42.8, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6]:[#6](-[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2):[#6]:[#6]:[#7]:[#6]:3-[#7])-[#6](=,-[#8,#7])-,=[#7,#8]):[#6]:[#6]:[#6]:1 Row: 2603 Inhibition of [3H]WIN-35428 uptake in human DAT transfected HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 20.3, mcs nAts: 18 [#6]-[#7]-[#6]-[#6]1:[#6]:[#7]:[#6](:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6,#8,#16])-[#6] Row: 2604 Displacement of [125I]-TARC from human recombinant CCR4 expressed in CHO cell membranes by scintillation counting method * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 26 [#17,#9]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#17,#9])-[#6]-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6](:[#7]:1)-[#7]1-[#6]-[#6]-[#6]2(-[#6]-[#6]-1)-[#6]-[#6]-[#7]-[#6]-2 Row: 2605 Inhibition of [3H]Nisoxetine uptake in human noradrenaline transporter transfected HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 20.3, mcs nAts: 18 [#6]-[#7]-[#6]-[#6]1:[#6]:[#7]:[#6](:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6,#8,#16])-[#6] Row: 2606 Inhibition of [3H]Citalopram uptake in human 5HTT transfected HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 20.3, mcs nAts: 18 [#6]-[#7]-[#6]-[#6]1:[#6]:[#7]:[#6](:[#6]:[#6]:1-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17,#6,#8,#16])-[#6] Row: 2607 Displacement of [3H]diprenorphine from human cloned kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 36.6, mcs nAts: 25 [#6]-[#6](-[#7]-[#6](=[#8])-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6](-[#6]-1)-[#6])(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8])-[#6](=[#8])-[#8] Row: 2608 Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 12.1, mcs nAts: 6 [#6]1:,-[#6]:,-[#8,#6]:,-[#6](:,-[#6,#7,#8]:,-1)-[#6] Row: 2609 Displacement of [3H]NMS from human muscarinic M2 receptor expressed in CHO cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 12.1, mcs nAts: 6 [#6]1:,-[#6]:,-[#8,#6]:,-[#6](:,-[#6,#7,#8]:,-1)-[#6] Row: 2610 Displacement of [3H]NMS from human muscarinic M3 receptor expressed in CHO cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 12.1, mcs nAts: 6 [#6]1:,-[#6]:,-[#8,#6]:,-[#6](:,-[#6,#7,#8]:,-1)-[#6] Row: 2611 Displacement of [3H]NMS from human muscarinic M4 receptor expressed in CHO cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 12.1, mcs nAts: 6 [#6]1:,-[#6]:,-[#8,#6]:,-[#6](:,-[#6,#7,#8]:,-1)-[#6] Row: 2612 Displacement of [3H]NMS from human muscarinic M5 receptor expressed in CHO cells by liquid scintillation counter * postgresql://localhost/chembl_23 Mean nAts 12.1, mcs nAts: 6 [#6]1:,-[#6]:,-[#8,#6]:,-[#6](:,-[#6,#7,#8]:,-1)-[#6] Row: 2613 Displacement of [3H]-CP55940 from human CB1 receptor transfected in HEK293EBNA cell membranes after 90 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.0, mcs nAts: 23 [#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1:[#6]:[#6](-[#6]-,=[#7,#8]):[#6]:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6])-[#17] Row: 2614 Displacement of [3H]WAY-100635 from human 5HT1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 25 [#6,#7]1:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#8]-3):[#6]:[#6]:[#6]:[#6]:1 Row: 2615 Binding inhibition towards human serotonin transporter * postgresql://localhost/chembl_23 Mean nAts 18.0, mcs nAts: 10 [#6]-[#6,#7]1:[#6]:[#7,#6]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2616 Displacement of [3H]5HT from human 5HT1B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 25 [#6,#7]1:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#8]-3):[#6]:[#6]:[#6]:[#6]:1 Row: 2617 Displacement of [3H]5HT from human 5HT1D receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 25 [#6,#7]1:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#8]-3):[#6]:[#6]:[#6]:[#6]:1 Row: 2618 Displacement of [3H]citalopram from human SerT expressed pig LLCPK cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 25 [#6,#7]1:[#6](-[#7]2-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]2:[#6]:[#6]:[#6]3:[#6](:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#8]-3):[#6]:[#6]:[#6]:[#6]:1 Row: 2619 Inhibition of recombinant human FLAG-tagged ITK using biotinylated GST-SAM68 as substrate after 30 mins * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 23 [#6]-[#7]-[#6]1:[#6,#7]:[#6](-[#6,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-2):[#7,#6]:[#6](:[#7,#6]:1)-[#7,#6]-[#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#8,#9] Row: 2620 Inhibition of LCK (unknown origin) using tamra-p34cdc-derived peptide as substrate after 30 mins * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 23 [#6]-[#7]-[#6]1:[#6,#7]:[#6](-[#6,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-2):[#7,#6]:[#6](:[#7,#6]:1)-[#7,#6]-[#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#8,#9] Row: 2621 Inhibition of Aurora-B (unknown origin) using 5FAM-PKAtide as substrate after 120 mins * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 23 [#6]-[#7]-[#6]1:[#6,#7]:[#6](-[#6,#7]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6,#7]:,-2):[#7,#6]:[#6](:[#7,#6]:1)-[#7,#6]-[#6]1-,:[#6]-,:[#6]-,:[#6](-,:[#6]-,:[#6]-,:1)-[#8,#9] Row: 2622 Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2623 Binding affinity towards kappa-opioid receptor by displacement of [3H]-EKC at from guinea pig cortical tissue * postgresql://localhost/chembl_23 Mean nAts 22.9, mcs nAts: 16 [#6]-[#6]1-[#6]-[#7](-[#6])-[#6]-[#6]-[#6]-1(-[#6])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8] Row: 2624 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from human GPR40 receptor expressed in CHO cell membrane after 90 mins by liquid scintillation counting in the presence of 0.2% BSA * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 27 [#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6](=[#8])-[#8])-[#6] Row: 2625 Inhibition of human recombinant carbonic anhydrase 4 preincubated for 15 mins at room temperature/6 hrs at 4 deg C by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 30.1, mcs nAts: 8 [#8,#6]=,-[#6]1:,-[#6,#8]:,-[#6](-,=[#6,#8]):,-[#8,#6]:,-[#6]:,-[#6,#8]:,-1 Row: 2626 Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2627 Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2628 Displacement of [3H]spiperone form human cloned dopamine D2L receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 17 [#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#8]-[#6]2-[#6]-1-[#6]-[#6]-[#6]1:[#6]-2:[#6]:[#6]:[#6]:[#6]:1 Row: 2629 Binding affinity to displace [3H]spiperone from cloned human dopamine receptor D4 was determined * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 20 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2630 Inhibition of WNV recombinant NS2B-NS3 protease * postgresql://localhost/chembl_23 Mean nAts 39.8, mcs nAts: 31 [#7]=[#6](-[#7])-[#7]-[#6]-[#6]-[#6]-[#6](-[#6]=[#8])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]-[#7,#6])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]-[#6,#7]-[#7,#6])-[#7]-[#6](=,-[#8,#6])-,=[#6,#7,#8] Row: 2631 Binding affinity against hERG Voltage-gated potassium channel subunit Kv11.1 * postgresql://localhost/chembl_23 Mean nAts 44.8, mcs nAts: 40 [#6]-[#6]-[#7]1:[#7]:[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]:[#6]:1-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]1-[#6]-[#7](-[#6](-[#6](=,-[#8,#6])-[#8,#6])-[#6](-,=[#6,#8])-[#6,#8])-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#9] Row: 2632 Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2633 Displacement of [3H]LSD from human recombinant 5HT5A receptor expressed in Flp-In CHO cells * postgresql://localhost/chembl_23 Mean nAts 19.3, mcs nAts: 17 [#7,#6]=,-[#6,#7]1-[#7,#6]-[#6,#7](=,-[#8,#6])-[#6](-[#7,#6]-1)=[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2634 Displacement of [3H]LSD from human recombinant 5HT6 receptor * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 22 [#8]=[#16](=[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):,-[#8]:,-[#6]1:,-[#6]:,-2-[#6]-[#6]-[#7]-[#6]-1 Row: 2635 Inhibition of human recombinant carbonic anhydrase 1 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 6 [#6]1:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2636 Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2637 Inhibition of human recombinant carbonic anhydrase 2 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 6 [#6]1:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2638 Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2639 Antagonist activity at human OX1 receptor expressed in CHO cells assessed as inhibition of orexin A-induced Ca2+ accumulation after 1 hr by Fluo-4-AM staining-based FLIPR assay * postgresql://localhost/chembl_23 Mean nAts 30.7, mcs nAts: 19 [#8,#6]=,-[#6,#7]1-[#7,#6](-,=[#6,#8])-[#6]-[#6]-[#6]-[#6]-12-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]1:[#7,#6]:[#6,#7]:[#6]:[#6]:[#7]:1 Row: 2640 Displacement of 2-[125I]iodomelatonin from human MT1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 2641 Displacement of 2-[125I]iodomelatonin from human MT2 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.9, mcs nAts: 24 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]-[#6]-[#7]-[#6](-,=[#6,#8])=,-[#8,#6] Row: 2642 Inhibition of muscarinic M5 receptor (unknown origin) by PDSP assay * postgresql://localhost/chembl_23 Mean nAts 21.6, mcs nAts: 12 [#7,#8]-[#6]1-[#6]2-[#6]3-[#6]-[#6]4-[#6]-1-[#6]1-[#6]-2-[#6]-[#6]-3-[#6]-1-4 Row: 2643 Inhibition of [3H]NBTI binding to equilibrative nucleoside transport protein 1 (ENT1) in human erythrocyte membranes * postgresql://localhost/chembl_23 Mean nAts 30.6, mcs nAts: 18 [#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#16]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2644 Binding affinity to glucocorticoid receptor (unknown origin) by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 33.6, mcs nAts: 25 [#6]-[#6](-[#6]-[#7]-[#16,#6](=,-[#8,#6,#7])=,-[#8,#6,#7])-[#6](-[#6])-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6]:[#7]:[#7]:2-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#9] Row: 2645 Inhibition of human cytosolic carbonic anhydrase 1 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2646 Inhibition of [125I]sauvagine binding to corticotropin releasing factor receptor 1 expressed in LtK- cells * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 17 [#6,#8]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]2:[#6]3:[#6]-1:[#6]:[#6](:[#7]:[#6]:3:[#7](:[#6,#7]:2)-[#6])-[#6] Row: 2647 Inhibition constant against human Adenosine A2a receptor using [3H]-SCH- 58261 as radioligand expressed in HEK cell membranes * postgresql://localhost/chembl_23 Mean nAts 24.9, mcs nAts: 17 [#7]-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#8]:2):[#6]2:[#6](:[#7]:1):[#7](:[#6]:[#7]:2)-[#6]-[#6] Row: 2648 Inhibition of human cytosolic carbonic anhydrase 2 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2649 BindingDB_Patents: FLIPR Assay. The FLIPR protocol consists of 2 substance additions. First the compounds to be tested (10 µM) are pipetted onto the cells and the Ca2+ influx is compared with the control (capsaicin 10 µM). This provides the result in % activation based on the Ca2+ signal after the addition of 10 µM of capsaicin (CP). After 5 minutes incubation, 100 nM of capsaicin are applied and the Ca2+ influx is also determined. Desensitising agonists and antagonists lead to suppression of the Ca2+ influx. The % inhibition is calculated compared to the maximum achievable inhibition with 10 µM of capsazepine. Starting from the percentage displacement caused by different concentrations of the compounds to be tested of general formula I, IC50 inhibitory concentrations which cause a 50-percent displacement of capsaicin were calculated. K1 values for the test substances were obtained by conversion by means of the Cheng-Prusoff equation (Cheng, Prusoff; Biochem. Pharmacol. 22, 3099-3108, 1973). * postgresql://localhost/chembl_23 Mean nAts 34.4, mcs nAts: 28 [#6,#7]-[#16](=[#8])(=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7,#6]-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#7]:[#6]:1-[#7])-[#6](-[#9])(-[#9])-[#9] Row: 2650 Inhibition of human recombinant carbonic anhydrase 7 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.5, mcs nAts: 6 [#6]1:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6]:,-[#6]:,-1 Row: 2651 Inhibition of human cytosolic carbonic anhydrase 7 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2652 Inhibition of human membrane bound carbonic anhydrase 9 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2653 In vitro inhibition of [3H]8-OH-DPAT binding to 5-hydroxytryptamine 1A receptor in rat cerebral cortex membranes * postgresql://localhost/chembl_23 Mean nAts 29.2, mcs nAts: 14 [#7,#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2654 Inhibitory potency against catalytic domain of human Carbonic anhydrase IX expressed in Escherichia coli strain BL21 * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 5 [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6] Row: 2655 Displacement of [3H]-(R)-alpha-methylhistamine from rat H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.6, mcs nAts: 20 [#8]=[#6]1-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2-[#6]-[#6]-[#7]-1-[#6]-[#6]-[#7,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2656 Displacement of [3H]UR-MK114 from NPY1 receptor in human SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 51.8, mcs nAts: 41 [#7]=[#6](-[#7]-[#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8])-[#7]-[#6](=[#8])-[#6]-[#6,#8]-[#6]-,=[#7,#6,#8] Row: 2657 Inhibition of human membrane bound carbonic anhydrase 12 preincubated for 15 mins at room temperature followed by 72 hrs at 4 degC by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 23.3, mcs nAts: 6 [#7,#6,#16,#17]-,=[#6,#7]1:,-[#7,#6,#8,#16]:,-[#7,#6,#8]:,-[#6,#7]:,-[#16,#6,#7,#8]:,-1 Row: 2658 Inhibition of [3H]diprenorphine binding to human Opioid receptor kappa 1 expressed in chinese hamster ovary cells * postgresql://localhost/chembl_23 Mean nAts 31.3, mcs nAts: 29 [#6]-[#7,#8]-[#6]1-[#6]-[#6](-[#6](=[#8])-[#8]-[#6])-[#6]2(-[#6](-[#6]-1=[#8])-[#6]1(-[#6]-[#6](-[#8]-[#6](-[#6]-1-[#6]-[#6]-2)=[#8])-[#6]1:[#6]:[#6]:[#8]:[#6]:1)-[#6])-[#6] Row: 2659 Displacement of [3H]SCH23390 from dopamine D1 receptor in pig striatal membranes * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2660 BindingDB_Patents: In Vitro Inhibition Assay. In vitro inhibition assay using cathepsin. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 27 [#8]=[#6](-[#7]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2661 Displacement of [125I]-ghrelin from human GHS-R1a expressed in tetracycline inducible HEK293 cells after 8 hrs by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 34.7, mcs nAts: 20 [#6,#8]-[#6]1:[#6]:[#6]:[#6](:[#7,#6]:[#6]:1)-[#6]-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2(-[#6]-[#6]-1)-[#6]-[#7](-[#6]-2)-[#6] Row: 2662 Binding constant measured against Alpha-1A adrenergic receptor in human prostate; ++:moderately active * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 10 [#8,#6,#9]-[#6,#7]1:,-,=[#6]:,-[#6]:,-[#6,#7](:,-,=[#6]:,-[#6,#7]:,-1)-[#6]-[#6,#7]-[#7,#6,#8] Row: 2663 Displacement of [3H]Spiperone from human dopamine D2 long receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2664 Displacement of [3H]Spiperone from human dopamine D2 short receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2665 Displacement of [3H]Spiperone from human dopamine D3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2666 BindingDB_Patents: Inhibition Assay. Inhibition of human C1s was determined by the method described in [0092]-[0098] using native human activated C1s complement component from Calbiochem at 29 nM and Val-Ser-Arg-pNA (S2314) at 8 mM, 6 mM, and 4 mM as substrate; results are reported as Ki values (nanomolar). * postgresql://localhost/chembl_23 Mean nAts 48.1, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2667 Displacement of [3H]N-alpha-methylhistamine from recombinant human histamine H3 receptor expressed in HEK cell membranes after 30 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 27.8, mcs nAts: 23 [#6]1:[#6]:[#6,#7]:[#6,#7]:[#6](:[#6,#7]:1)-[#6]1:[#7]:[#7]:[#6](:[#16]:1)-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2668 BindingDB_Patents: Inhibition Assay. Inhibition of human FIIa was determined by the method described in [0092]-[0098] using human alpha-thrombin from Enzyme Research Laboratories at 0.1 NIH U/mL and Mes-d-Cha-Gly-Arg-pNA (Pefachrome tPA) at 2 mM, 1 mM, and 0.5 mM as substrate; results are reported as Ki values (nanomolar). * postgresql://localhost/chembl_23 Mean nAts 47.8, mcs nAts: 40 [#7]=[#6](-[#7])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]1-[#6]-[#6]-[#7]-[#6]-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6])-[#7]-[#16](=[#8])(=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2669 Displacement of [3H]spiperone from human dopamine D2 receptor * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 2670 Binding affinity to human dopamine D3 receptor by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 2671 Inhibitory potency against human cloned Carbonic anhydrase II expressed in Escherichia coli strain BL21 * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 5 [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6] Row: 2672 Binding affinity to human dopamine D4 receptor by radioligand binding assay * postgresql://localhost/chembl_23 Mean nAts 21.5, mcs nAts: 14 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6] Row: 2673 Displacement of [3H]prazosin from human cloned alpha1A adrenoceptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#7]-[#6]-[#6]1-[#6]-[#8]-[#6]-,:[#6]-[#8]-1 Row: 2674 Displacement of [3H]prazosin from human cloned Alpha-1B adrenoceptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#7]-[#6]-[#6]1-[#6]-[#8]-[#6]-,:[#6]-[#8]-1 Row: 2675 Displacement of [3H]Spiperone from human dopamine D4.4 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2676 Inhibitory potency against human cloned Carbonic anhydrase I expressed in Escherichia coli strain BL21 * postgresql://localhost/chembl_23 Mean nAts 19.7, mcs nAts: 5 [#6,#7]-[#16](-,=[#7,#8])(=[#8])=,-[#8,#6] Row: 2677 Displacement of [3H]Ketanserin from 5-HT2 receptor in pig cortex membranes * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 17 [#8,#6,#7]=,-[#6]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7,#6](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2678 Displacement of [3H]prazosin from human cloned alpha1D adrenoceptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#7]-[#6]-[#6]1-[#6]-[#8]-[#6]-,:[#6]-[#8]-1 Row: 2679 Displacement of [3H]CP55940 from human CB1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 50.7, mcs nAts: 32 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#6]-,=[#7,#6,#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17] Row: 2680 Displacement of [3H]8-OH-DPAT from human cloned 5HT1A receptor expressed in human HeLa cells * postgresql://localhost/chembl_23 Mean nAts 26.5, mcs nAts: 17 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#8]-[#6]-[#6]-[#7]-[#6]-[#6]1-[#6]-[#8]-[#6]-,:[#6]-[#8]-1 Row: 2681 Inhibition of human carbonic anhydrase-2 at 20 degC preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 4.7, mcs nAts: 0 Row: 2682 Inhibition of rat Ecto-5'-nucleotidase transfected in COS7 cells preincubated for 10 mins followed by AMP addition measured after 10 mins * postgresql://localhost/chembl_23 Mean nAts 27.1, mcs nAts: 21 [#6]-[#8]-[#6]1-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6]-1=[#6]-[#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8] Row: 2683 Displacement of [3H]SR141716 from human CB1 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 50.7, mcs nAts: 32 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#6]-,=[#7,#6,#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17] Row: 2684 BindingDB_Patents: Binding Assay. The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethylsulfonyl fluoride (PMSF), 0.01% (w/v) NaN3, pH 7.4, 4 C.) at 600 rpm in a glass homogenizer. The homogenate is centrifuged (1000xg, 4 C., 10 min) and the supernatant is removed. The pellet is resuspended (20% w/v) and the suspension is centrifuged (1000xg, 4 C., 10 min). The two supernatants are combined and centrifuged (15 000xg, 4 C., 30 min). The pellet obtained in this way is referred to as the P2 fraction.The P2 pellet is washed with binding buffer (50 mM Tris-HCl, 1 mM MgCl2, 120 mM NaCl, 5 mM KCl, 2 mM CaCl2, pH 7.4), and centrifuged (15 000x g, 4 C., 30 min), twice.The P2 membranes are resuspended in binding buffer and incubated in a volume of 250 ul (amount of membrane protein 0.1-0.5 mg). * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 21 [#7,#6,#8,#9,#35]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1):[#8,#6,#16]:[#6](:[#6,#8,#16])-[#6](=[#8])-[#7]-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#6]-1-[#6]-[#6]-2 Row: 2685 Inhibition of bovine intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 12 [#8]=[#6]1:,-[#6](-,=[#6]):,-[#6]:,-[#8]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2686 Inhibition of bovine kidney intestinal alkaline phosphatase using p-NPP as substrate treated 10 mins before substrate addition measured after 30 mins by spectrophotometric assay * postgresql://localhost/chembl_23 Mean nAts 28.5, mcs nAts: 12 [#8]=[#6]1:,-[#6](-,=[#6]):,-[#6]:,-[#8]:,-[#6]2:[#6]:,-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2687 In vitro inhibition of Neutral endopeptidase. * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 29 [#8]=[#6](-[#8])-[#6](-[#6]-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#16])-[#6]1-[#6]-[#6]-[#6]2:[#6]-1:[#6]:[#6]:[#6]:[#6]:2 Row: 2688 Binding affinity to human histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 21 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]1(-[#8]-2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6]-1 Row: 2689 Binding affinity to human recombinant 5HT4 receptor * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 17 [#6,#7]-[#6,#16]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]-[#7,#6]-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 2690 Inhibition of [125I]AB-MECA binding to rat Adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 20 [#6]-[#7]-[#6]1:[#7]:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8,#6]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2691 Binding affinity to human recombinant 5HT3 receptor * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 17 [#6,#7]-[#6,#16]-[#7,#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#6]-[#7,#6]-[#6]-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 2692 Displacement of [beta-33P]-2MeS-ADP from human P2Y1 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 27 [#6]-[#6]1:[#16,#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#7]:[#6]:2-[#8]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2-[#6](-[#6])(-[#6])-[#6]):[#7,#16]:[#6]:1-[#6](-[#9,#6,#7])-,=[#9,#6,#8] Row: 2693 Binding affinity to rat histamine H3 receptor * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 21 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1)-[#6]-[#6]-[#6]1(-[#8]-2)-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1-[#6]-[#6]-[#6]-1 Row: 2694 Displacement of [3H]nisoxetine from Sprague-dawley rat NET by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6](-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2695 Displacement of [3H]CP55940 from human CB2 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 50.7, mcs nAts: 32 [#6]-[#6]1:[#6](-[#6](=[#8])-[#7]-[#6]-[#6]-[#6,#7]-[#7,#6]-[#6]-[#6,#7]-[#6]-,=[#7,#6,#8]):[#7]:[#7](:[#6]:1-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1-[#17])-[#17] Row: 2696 Displacement of [3H]citalopram from SERT in Sprague-dawley rat frontal cortex by liquid scintillation spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 12 [#6,#7]-[#7,#6]-[#6]-[#6]-[#6](-[#8,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2697 Displacement of [3H]CP-55940 from human recombinant CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 8 [#6,#7,#8]-,=[#6,#7,#8,#16]-[#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#8]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 2698 Displacement of [3H]CP-55940 from human recombinant CB2 receptor * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 8 [#6,#7,#8]-,=[#6,#7,#8,#16]-[#6,#7]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#8]:,-[#6,#7]:,-[#6,#7]:,-1 Row: 2699 Displacement of [3H]Spiperone from rat dopamine D2L receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 9 [#6,#7]-[#6]-[#7,#6]-[#6,#7]1-[#6]-[#6]-,:[#6,#7]:,-[#6]-[#6]-1 Row: 2700 Displacement of [125I]ABN from human dopamine D4.4 receptor expressed in HEK293 cells after 60 mins by gamma counting analysis * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 23 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#7]1-[#6]-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=,-[#8,#6])-,=[#6,#8] Row: 2701 Displacement of [3H]Spiperone from rat dopamine D3 receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 27.5, mcs nAts: 9 [#6,#7]-[#6]-[#7,#6]-[#6,#7]1-[#6]-[#6]-,:[#6,#7]:,-[#6]-[#6]-1 Row: 2702 Displacement of [3H]-citalopram in human SERT expressed in LLCPK cells by filtration assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-,:[#8,#6]-,:[#6]-,:[#6](-,:[#7]-,:2)=[#8] Row: 2703 Displacement of [3H]CCPA from recombinant human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 21 [#6]-[#7]-[#6]1:[#7]:[#6](-[#6,#7,#17]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2704 Displacement of [3H]LSD from human recombinant 5HT7 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 28.1, mcs nAts: 13 [#8]=[#6]1-[#6]-,:[#6](:[#6]:[#6]:[#6]:[#6]):,-[#6]-[#7]-1-[#6]-[#6]-,=,#[#7,#6] Row: 2705 Displacement of [3H]MDL from rat 5HT2A receptor expressed in GF62 cells by liquid scintillation analyser * postgresql://localhost/chembl_23 Mean nAts 28.4, mcs nAts: 25 [#6]-[#8]-[#6]1:[#6](-[#8]):[#6]:[#6]:[#6]:[#6]:1-[#6](-,=[#8])-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2706 Inhibition of recombinant human CA1 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 12.3, mcs nAts: 5 [#6,#8]-[#8,#6,#7,#16]-[#6,#7](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2707 Inhibition of recombinant human CA2 cytosolic isoform preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 12.3, mcs nAts: 5 [#6,#8]-[#8,#6,#7,#16]-[#6,#7](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2708 Inhibition of recombinant human CA9 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 12.3, mcs nAts: 5 [#6,#8]-[#8,#6,#7,#16]-[#6,#7](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2709 Displacement of [3H]CP55940 from recombinant human CB2 receptor expressed in human HEK293 cell membrane after 90 mins * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 11 [#8]=[#6](-[#7]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1-,=[#8] Row: 2710 Inhibition of recombinant human CA12 transmembrane isoform preincubated for 15 mins by stopped-flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 12.3, mcs nAts: 5 [#6,#8]-[#8,#6,#7,#16]-[#6,#7](=,-[#16,#6,#8])-,=[#16,#6,#7,#8] Row: 2711 Displacement of [3H]-dofetilide in human ERG expressed in CHO cells by proximity assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 30 [#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#7]:1):[#6]:[#6]:[#6]:[#6]:2-[#7,#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]2:[#6]:1-,:[#8,#6]-,:[#6]-,:[#6](-,:[#7]-,:2)=[#8] Row: 2712 BindingDB_Patents: In Vitro Inhibition Assay. In vitro inhibition assay using cathepsin. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 27 [#8]=[#6](-[#7]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2713 Inhibition of MMP-2 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 10 [#8,#6]=,-[#16,#6](-[#7,#16]-[#6]1-[#6]-[#6,#7]-[#6]-[#6]-1-[#16,#8])-,=[#6,#8] Row: 2714 Inhibition of human recombinant PTP1B expressed in Escherichia coli using para-nitrophenyl phosphate as substrate preincubated for 30 mins followed by substrate addition measured by fluorescence analysis * postgresql://localhost/chembl_23 Mean nAts 32.2, mcs nAts: 23 [#8]=[#6](-[#8])-[#6]1:,-[#6,#7]:,-[#6,#7](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6](-[#6])-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):,-[#7,#6,#8,#16]:,-[#8,#6,#7]:,-1 Row: 2715 BindingDB_Patents: In Vitro Inhibition Assay. In vitro inhibition assay using cathepsin. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 27 [#8]=[#6](-[#7]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2716 Inhibition of MMP-9 (unknown origin) using Mca-PLGLDpa-AR-NH2 as substrate preincubated for 30 mins by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 10 [#8,#6]=,-[#16,#6](-[#7,#16]-[#6]1-[#6]-[#6,#7]-[#6]-[#6]-1-[#16,#8])-,=[#6,#8] Row: 2717 BindingDB_Patents: In Vitro Inhibition Assay. In vitro inhibition assay using cathepsin. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 27 [#8]=[#6](-[#7]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2718 Binding affinity to human adenosine A2b receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.0, mcs nAts: 19 [#6]-[#6]-[#7]1:[#6](=[#8]):[#6]2:[#7]:[#6](-[#6]):[#7]:[#6]:2:[#7](:[#6]:1=[#8])-[#6]-[#6]-[#6]-[#8]-[#6] Row: 2719 BindingDB_Patents: In Vitro Inhibition Assay. In vitro inhibition assay using cathepsin. * postgresql://localhost/chembl_23 Mean nAts 31.2, mcs nAts: 27 [#8]=[#6](-[#7]-[#6](-[#6](=[#8])-[#7]1-[#6]-[#6]-[#6]2-[#6]-1-[#6](-[#6]-[#8]-2)=[#8])-[#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2720 Displacement of [3H]histamine from human histamine H3 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 20.4, mcs nAts: 13 [#7]-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6]2:[#6]:1:[#7,#6]:[#6]:[#6](:[#6]:2)-[#6] Row: 2721 Displacement of [3H]CP-55940 from rat CB1 receptor expressed in rat brain membrane by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 29.3, mcs nAts: 28 [#6]-[#6]1(-[#6])-[#8]-[#6]2:[#6]:[#6](-[#6]34-[#6]-[#6]5-[#6]-[#6](-[#6]-3)-[#6]-[#6](-[#6]-4)-[#6]-5):[#6]:[#6](:[#6]:2-[#6]2:,-[#6]-1:,-[#6]:,-[#6]:,-,=[#6](:,-[#6]:,-2)-,=[#8,#6])-[#8] Row: 2722 Displacement of [3H]CP-55940 from mouse CB2 receptor expressed in mouse spleen membrane by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 29.3, mcs nAts: 28 [#6]-[#6]1(-[#6])-[#8]-[#6]2:[#6]:[#6](-[#6]34-[#6]-[#6]5-[#6]-[#6](-[#6]-3)-[#6]-[#6](-[#6]-4)-[#6]-5):[#6]:[#6](:[#6]:2-[#6]2:,-[#6]-1:,-[#6]:,-[#6]:,-,=[#6](:,-[#6]:,-2)-,=[#8,#6])-[#8] Row: 2723 Displacement of [3H]LSD from human 5HT6 receptor expressed in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6](:[#7]:[#6]1:[#6]:[#6](-[#7]2-[#6]-[#6]-[#7]-[#6]-[#6]-2):[#6]:[#6]:[#6]:1):[#7] Row: 2724 Displacement of [125I]human CGRP from human CLR expressed in HEK 293 cells coexpressing human RAMP1 after 3 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 38.2, mcs nAts: 30 [#8]=[#6](-[#7]-[#6]1-[#6]-[#6]-[#6](-[#6]2:[#6]:[#6]:[#6]:[#6](:[#6]:2-[#9])-[#9])-[#6]-[#7](-[#6]-1=[#8])-[#6]-[#6](-[#9])(-[#9])-[#9])-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2725 Displacement of [3H]GR113808 from human 5HT4 receptor expressed in HEK293 cells by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 26 [#8,#6,#15]=,-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]2:[#7](:[#6]3:[#6]:1:[#6]:[#6]:[#6]:[#6]:3)-[#6]-[#6]-[#6]-[#8]-2 Row: 2726 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2727 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2728 Displacement of [3H]5-CT from rat recombinant 5HT7 receptor expressed in HEK293 cells after 60 mins * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 22 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#7]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6]:1-[#6]-[#6]-[#7]-[#6]-2 Row: 2729 BindingDB_Patents: Radioligand Binding Assay. Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors were homogenized in ice-cold buffer with 10 mM Tris-HCl, 5 mM EDTA, 3 mM EGTA, 1 mM phenylmethylsuphonyl fluoride, pH 7.6, using Polytron PT10-35GT (Kinematica) at 18,000 rpm for 30 seconds and centrifuged at 500xg for 10 minutes. The supernatant containing the plasma membranes was centrifuged at 100,000xg for 30 minutes and the pellet was resuspended in buffer containing 20 mM glycine-glycine, 1 mM MgCl2, 250 mM sucrose, pH 7.2, for storage at -80 C.For the SSTR1, 2 and 5 assays, membranes and various concentrations of test compounds were incubated in 96-well plates for 60 minutes at 25 C. with 0.05 nM [125I-Tyr11]-SRIF-14 (for hSSTR1; PerkinElmer Life Science), 0.05 nM [125I-Tyr]-seglitide (for hSSTR2; PerkinElmer Life Science) or 0.05 nM [125I-Tyr]-[DPhe-cyclo(Cys-Tyr-DTrp-Lys-Val-Cys)-Thr-NH2] (for hSSTR5. * postgresql://localhost/chembl_23 Mean nAts 115.0, mcs nAts: 88 [#6]-[#6](-[#8])-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#7]:[#6]3:[#6]:2:[#6]:[#6]:[#6]:[#6]:3)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#7,#6]:[#6]:[#6]:2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2)-[#7]-[#6](-[#6](-[#7]-[#6](-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)=[#8])-[#7]-[#6]-[#6]-[#16,#6,#7]-[#6]-,=[#6,#8])=[#8])-[#6]-[#6]-[#6]-[#7]-[#6](=[#7])-[#7])=[#8] Row: 2730 Inhibitory constant against reuptake of [3H]5-HT at serotonin transporter of rat midbrain cortex * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 16 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]2-[#6]-[#6]3-[#7](-[#6]-1-[#6]-[#6]-3)-[#6]-[#6]-2=[#6]-[#6] Row: 2731 Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2732 Inhibitory constant against reuptake of [3H]-DA at dopamine transporter of rat striatal membranes * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 16 [#6]-[#8]-[#6](=[#8])-[#6]1-[#6]2-[#6]-[#6]3-[#7](-[#6]-1-[#6]-[#6]-3)-[#6]-[#6]-2=[#6]-[#6] Row: 2733 Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2734 Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2735 Displacement of [3H]AVP from rat V1A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 24 [#6]-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#8,#9])-[#7]-[#6](=[#8])-[#6]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17,#9] Row: 2736 Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2737 Inhibition of human wild type EGFR using Fl-EEPLYWSFPAKKK-CONH2 as substrate preincubated for 30 mins followed by addition of substrate measured after 30 mins by Morrison plot analysis * postgresql://localhost/chembl_23 Mean nAts 29.0, mcs nAts: 21 [#6]-[#6]1:[#7]:[#6]2:[#6]:[#7]:[#6](:[#6]:[#6]:2:[#7]:1-[#6](-[#6])-[#6])-[#7]-[#6]1:[#6]:[#6]:[#7]:[#6](:[#7]:1)-[#6,#7,#8,#16] Row: 2738 Inhibition of human carbonic anhydrase 6 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2739 Displacement of [3H]WIN35428 from DAT in Sprague-Dawley rat brain membranes * postgresql://localhost/chembl_23 Mean nAts 21.7, mcs nAts: 17 [#7,#8]-,=[#6]-[#6]-[#16]-[#6](-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2740 Displacement of [3H]CP55940 from recombinant human CB1 receptor expressed in human HEK293 cell membrane after 90 mins * postgresql://localhost/chembl_23 Mean nAts 26.9, mcs nAts: 11 [#8]=[#6](-[#7]-[#6])-[#6]1:[#6]:[#6]:[#6]:[#7]:[#6]:1-,=[#8] Row: 2741 Inhibition of human IMPDH2 by Spectrophotometer * postgresql://localhost/chembl_23 Mean nAts 42.0, mcs nAts: 11 [#6,#7]1:[#6](-[#6,#7]):[#6]2:[#6](:[#6,#7]:[#6]:1)-,:[#6,#7](=,-[#8,#6])-,:[#8,#6]-,:[#6,#7]-,:2 Row: 2742 Inhibition of human IMPDH1 by Spectrophotometry * postgresql://localhost/chembl_23 Mean nAts 42.0, mcs nAts: 11 [#6,#7]1:[#6](-[#6,#7]):[#6]2:[#6](:[#6,#7]:[#6]:1)-,:[#6,#7](=,-[#8,#6])-,:[#8,#6]-,:[#6,#7]-,:2 Row: 2743 Inhibition of human carbonic anhydrase 7 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#7,#6,#8]-,=[#6,#8]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#6,#8]:[#6]:[#6]:[#8,#6]:2 Row: 2744 Displacement of [3H]-4-(2,6-Difluoro-4-methoxybenzyl)-2-(5,6-dimethoxypyridin-3-yl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide from orexin receptor-1 (unknown origin) after 90 mins * postgresql://localhost/chembl_23 Mean nAts 32.7, mcs nAts: 29 [#6]-[#8,#7]-[#6]1:[#6,#7]:[#6](-[#7]2-[#6](=[#8])-[#7](-[#6]-[#6]3:[#6]:[#6]:[#6]:[#6]:[#6]:3-[#9,#8,#17])-[#6]3:[#6](-[#16]-2(=[#8])=[#8]):[#6]:[#6]:[#6]:[#6,#7]:3):[#6]:[#6,#7]:[#7,#6]:1 Row: 2745 Inhibition of human carbonic anhydrase 9 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2 Row: 2746 Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7] Row: 2747 Displacement of [3H]NECA from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7] Row: 2748 Antagonist activity at human adenosine A2B receptor expressed in CHO cells assessed as inhibition of NECA-stimulated adenylyl cyclase activity * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7] Row: 2749 Displacement of [3H]HEMADO from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 22.3, mcs nAts: 13 [#6]-[#6]-[#6]-[#7]1:[#6]:[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:[#6]:2-[#7] Row: 2750 Inhibition of ATX (unknown origin) using bis-(p-nitrophenyl)phosphate as substrate * postgresql://localhost/chembl_23 Mean nAts 25.0, mcs nAts: 8 [#7,#6]-[#6,#7]-[#6]1:,-[#6]:,-[#6]:,-[#6,#8]:,-[#6]:,-[#6,#7]:,-1 Row: 2751 Displacement of [3H]-5-carboxyamidotryptamine from human serotonin 5-HT7B receptor expressed in HEK293 cells after 1 hr by microplate reader based assay * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 21 [#6,#8]-,=[#16](=[#8])(=,-[#8,#6])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6] Row: 2752 Displacement of [3H]-8-OH-DPAT from human serotonin 5-HT1A receptor expressed in HEK293 cells after 1 hr by microplate reader based assay * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 21 [#6,#8]-,=[#16](=[#8])(=,-[#8,#6])-[#7]-[#6]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]-[#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6] Row: 2753 Displacement of [125I]-2-iodomelatonin from human MT1 receptor expressed on CHO cells by microscintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 19 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]-[#6]-[#6]1=[#6](-[#35,#6])-[#6]-[#6]2:[#6]-1:[#6]1:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6]-1 Row: 2754 Inhibitory activity against bovine carbonic anhydrase IV (bCAIV) * postgresql://localhost/chembl_23 Mean nAts 15.3, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 2755 Inhibitory activity against human carbonic anhydrase IV (hCAIV) * postgresql://localhost/chembl_23 Mean nAts 15.3, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 2756 Inhibitory activity against human carbonic anhydrase II (hCAII) * postgresql://localhost/chembl_23 Mean nAts 15.3, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 2757 Binding affinity towards rat 5-HT7 receptor expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 25.6, mcs nAts: 8 [#6,#7,#8]-,=,#[#8,#6,#16]-[#6,#7]1:,-,=[#6]:,-,=[#6]:,-,=[#6]:,-,=[#6]:,-[#6]:,-1 Row: 2758 Inhibition of human carbonic anhydrase 12 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2 Row: 2759 Displacement of [125I]-2-iodomelatonin from human MT2 receptor expressed on CHO cells microscintillation counting * postgresql://localhost/chembl_23 Mean nAts 23.8, mcs nAts: 19 [#6,#7,#8]-,=[#6](=,-[#8,#6])-[#7]-[#6]-[#6]-[#6]1=[#6](-[#35,#6])-[#6]-[#6]2:[#6]-1:[#6]1:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6]-1 Row: 2760 Inhibition of mouse carbonic anhydrase 13 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2 Row: 2761 Inhibition of human carbonic anhydrase 14 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2 Row: 2762 Inhibition of mouse carbonic anhydrase 15 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 16.0, mcs nAts: 12 [#6,#7,#8]-,=[#8,#6]-[#6]1:[#6]:[#6,#8,#16]:[#6]2:[#6](:[#6]:1):[#8,#6]:[#6]:[#6]:[#6,#8]:2 Row: 2763 Inhibitory activity against human carbonic anhydrase I (hCAI) * postgresql://localhost/chembl_23 Mean nAts 15.3, mcs nAts: 5 [#6,#7,#8]-[#16,#6](-,=[#7,#8,#9])(=,-[#8,#9])=,-[#8,#6,#7,#9] Row: 2764 Displacement of [3H]mepyramine from human histamine H1 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 20.0, mcs nAts: 6 [#6,#7]1:,-,=[#6,#7]:,-[#6,#7]:,-[#6,#7]:,-[#6]:,-[#6,#7]:,-1 Row: 2765 Displacement of [3H]histamine from human H4 receptor expressed in HEK293 cells after 1 to 1.5 hrs by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 7 [#6,#7]-,=[#6,#7]-[#6]1:,-[#6,#7]:,-[#7,#6]:,-[#6,#7]:,-[#7,#6]:,-1 Row: 2766 Displacement of [3H]mepyramine from human histamine 1 receptor expressed in Sf9 cell membranes by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 13 [#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#7,#6]:[#6](-[#7,#6]):[#7,#6]:[#6]:[#6,#7]:1 Row: 2767 Displacement of [3H]histamine from human histamine 4 receptor expressed in Sf9 cell membranes by liquid scintillation counting * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 13 [#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#7,#6]:[#6](-[#7,#6]):[#7,#6]:[#6]:[#6,#7]:1 Row: 2768 Inhibition of human recombinant heparanase after 2 to 24 hrs by WST1 dye based fondaparinux assay * postgresql://localhost/chembl_23 Mean nAts 116.1, mcs nAts: 34 [#6,#8]1-[#6]-[#6](-[#8]-[#6]2-[#8]-[#6](-[#6]-[#8]-[#16,#15](=[#8])(=,-[#8])-[#8])-[#6](-[#6](-[#6]-2-[#8]-[#16](=[#8])(=[#8])-[#8])-[#8]-[#16](=[#8])(=[#8])-[#8])-[#8]-[#16](=[#8])(=[#8])-[#8])-[#6]-[#6]-[#6,#8]-1 Row: 2769 Binding affinity to human Erg * postgresql://localhost/chembl_23 Mean nAts 32.1, mcs nAts: 25 [#8,#6]-[#6]1(-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#9,#6])-[#6]-[#6]-[#7]-[#6]-[#6]-1-[#6]1:[#6]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7,#8]:[#8,#7]:1 Row: 2770 Displacement of [125I]adrenomedullin form CGRP receptor in human SK-N-MC cell membrane by competitive binding assay * postgresql://localhost/chembl_23 Mean nAts 31.9, mcs nAts: 13 [#6]1:,-[#7,#6]:,-[#6](-[#7,#6]2-[#6]-[#6,#7]-,:[#6]-[#6,#7]-[#16,#6,#7]-2=,-[#8,#6]):,-[#6,#7]:,-[#6]:,-[#6,#7]:,-1 Row: 2771 Displacement of [33P]ATP from human recombinant c-KIT domain after 20 mins by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 26.2, mcs nAts: 19 [#7]-[#6]1:[#7]:[#6](-[#7]-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#7]:1-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#7]:1 Row: 2772 Inhibition of human cloned glutamate carboxypeptidase 2 * postgresql://localhost/chembl_23 Mean nAts 30.3, mcs nAts: 26 [#8]=[#6](-[#8])-[#6]-[#7]-[#6](=[#8])-[#7]-[#6](-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#53])-[#6](=[#8])-[#8] Row: 2773 Displacement of [3H]CP-55940 from human CB1 receptor * postgresql://localhost/chembl_23 Mean nAts 25.8, mcs nAts: 17 [#6]1:[#6]:[#6](-[#7]-[#6](=[#8])-[#6](-[#6])(-[#6])-[#6,#8]):[#6]:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7] Row: 2774 Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex membrane * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 12 [#6]1:,-[#7,#6]:,-[#6,#7]:,-[#6](:,-[#16,#6]:,-1)-[#6,#7]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1 Row: 2775 Displacement of [3H]MSX2 from adenosine A2A receptor in rat brain striatum membrane * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 12 [#6]1:,-[#7,#6]:,-[#6,#7]:,-[#6](:,-[#16,#6]:,-1)-[#6,#7]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1 Row: 2776 Displacement of [3H]dofetilide from human ERG expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 32.5, mcs nAts: 27 [#7]-[#6]1=[#7]-[#6]2(-[#6]-[#8]-1)-[#6]1:[#6]:[#6](-[#6]3:[#6]:[#6]:[#6]:[#7]:[#6]:3-[#9]):[#6]:[#6]:[#6]:1-[#8]-[#6]1:[#6]-2:[#6]:[#6](:[#7,#6]:[#6]:1)-[#6,#7] Row: 2777 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (unknown origin) in presence of nuclear membrane mimetic lipid mixture * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 14 [#6,#8]=[#6]1-[#6,#8]-[#6](-[#6]-[#8])(-[#6]-[#8]-[#6](=[#8])-[#6]-[#6])-[#8,#6]-[#6]-1 Row: 2778 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of nuclear membrane mimetic lipid mixture * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 14 [#6,#8]=[#6]1-[#6,#8]-[#6](-[#6]-[#8])(-[#6]-[#8]-[#6](=[#8])-[#6]-[#6])-[#8,#6]-[#6]-1 Row: 2779 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCepsilon (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 14 [#6,#8]=[#6]1-[#6,#8]-[#6](-[#6]-[#8])(-[#6]-[#8]-[#6](=[#8])-[#6]-[#6])-[#8,#6]-[#6]-1 Row: 2780 Inhibition of full length human recombinant CA1 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 11 [#8,#7,#16]=,-[#6,#16]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#8,#6]:,-1):,-[#6,#8]:,=[#6]:,-[#6,#16]:,-[#6,#8]:,-2 Row: 2781 Displacement of [20-3H] phorbol 12, 13-dibutylate from recombinant PKCalpha (unknown origin) in presence of 100 ug/ml 100% phosphatidylserine * postgresql://localhost/chembl_23 Mean nAts 33.7, mcs nAts: 14 [#6,#8]=[#6]1-[#6,#8]-[#6](-[#6]-[#8])(-[#6]-[#8]-[#6](=[#8])-[#6]-[#6])-[#8,#6]-[#6]-1 Row: 2782 Displacement of [3H]DAMGO from human MOR expressed in CHO cell membranes after 60 mins * postgresql://localhost/chembl_23 Mean nAts 29.9, mcs nAts: 28 [#6]-[#7](-[#6])-[#6]-[#6]1-[#6]-[#6]-[#6]2:[#6](-[#6]-1(-[#8])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#8]):[#6]:[#6]:[#6](:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2783 Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 14 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1-[#6])-[#6])-[#16](=,-[#8,#7])(=[#8])-,=[#7,#8] Row: 2784 Displacement of [3H]LSD from human cloned 5-HT6R expressed in HEK293 cells at 0.1 and 1 uM * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 9 [#6](:,-[#6,#7]:,-,=[#7,#6])-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,=,:[#7,#6,#16]-,=[#6,#7,#8,#9,#16,#17] Row: 2785 Displacement of [3H]-8-OH-DPAT from human cloned 5-HT1A receptor expressed in HEK293 cells at 0.1 and 1 uM * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 9 [#6](:,-[#6,#7]:,-,=[#7,#6])-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,=,:[#7,#6,#16]-,=[#6,#7,#8,#9,#16,#17] Row: 2786 Displacement of [3H]-ketanserin from human cloned 5-HT2A receptor expressed in CHO-K1 cells at 0.1 and 1 uM * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 9 [#6](:,-[#6,#7]:,-,=[#7,#6])-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,=,:[#7,#6,#16]-,=[#6,#7,#8,#9,#16,#17] Row: 2787 Displacement of [3H]-5-CT from human cloned 5-HT7R expressed in HEK293 cells at 0.1 and 1 uM * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 9 [#6](:,-[#6,#7]:,-,=[#7,#6])-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,:[#6,#7]-,=,:[#7,#6,#16]-,=[#6,#7,#8,#9,#16,#17] Row: 2788 Displacement of [3H]DPCPX from adenosine A1 receptor in rat cerebral cortex * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 22 [#6]-[#6]-[#6]-[#7]1-,:[#6](=[#8])-,:[#7]-,:[#6]-,:[#6]2:[#6]-,:1:[#7]:[#6](:[#7]:2)-[#6]12-[#6]-[#6]-[#6](-[#6]-[#6]-1)(-[#6]-[#6]-2)-[#8,#6] Row: 2789 Displacement of [3H]CCPA from human Adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 30.8, mcs nAts: 21 [#6]-[#7]-[#6]1:[#7]:[#6](-[#7,#6]):[#7]:[#6]2:[#6]:1:[#7]:[#6]:[#7]:2-[#6]1-[#8]-[#6](-[#6]-,=[#8,#7])-[#6](-[#6]-1-[#8])-[#8] Row: 2790 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 14 [#7,#6,#8]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-[#6,#7,#8]-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2791 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration assay * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 14 [#7,#6,#8]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-[#6,#7,#8]-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2792 Displacement of [3H]NECA from human recombinant adenosine 2A receptor expressed in CHO cells after 3 hrs * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 23 [#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#7])-,=[#7,#6,#8] Row: 2793 Displacement of labeled MK499 from cloned hERG potassium channel expressed in HEK cells * postgresql://localhost/chembl_23 Mean nAts 41.2, mcs nAts: 37 [#6]-[#8]-[#6](=[#8])-[#7](-[#7]-[#6](=[#8])-[#6]1:[#6](-[#6,#8]-[#6,#7]2-[#6]-[#6]-[#7,#6]-[#6]-[#6]-2):[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2794 Binding affinity to Anthrax lethal factor-substrate complex * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 8 [#6,#7,#8]=,-,#[#6,#8,#16]-,=[#6]1:,-,=[#6,#16]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#16]:,-1 Row: 2795 Binding affinity to Anthrax lethal factor * postgresql://localhost/chembl_23 Mean nAts 25.1, mcs nAts: 8 [#6,#7,#8]=,-,#[#6,#8,#16]-,=[#6]1:,-,=[#6,#16]:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6,#16]:,-1 Row: 2796 Inhibition of human liver cathepsin B * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#8,#6]=,-[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6,#16]-[#6]-[#7]-1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2797 Inhibition of porcine erythrocyte mu calpain * postgresql://localhost/chembl_23 Mean nAts 29.8, mcs nAts: 27 [#8,#6]=,-[#6]-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]1-[#6]-[#6,#16]-[#6]-[#7]-1-[#16](=[#8])(=[#8])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2798 Inhibition of full length human recombinant CA2 cytosolic isoform after 6 hrs by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 11 [#8,#7,#16]=,-[#6,#16]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#8,#6]:,-1):,-[#6,#8]:,=[#6]:,-[#6,#16]:,-[#6,#8]:,-2 Row: 2799 Inhibition of human recombinant transmembrane CA9 catalytic domain after 6 hrs by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 11 [#8,#7,#16]=,-[#6,#16]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#8,#6]:,-1):,-[#6,#8]:,=[#6]:,-[#6,#16]:,-[#6,#8]:,-2 Row: 2800 Displacement of [3H]CCPA from human recombinant adenosine A1 receptor expressed in CHO cells after 3 hrs * postgresql://localhost/chembl_23 Mean nAts 33.4, mcs nAts: 23 [#6]-[#7]1:[#6]:[#6]2:[#6](:[#7]:1):[#7]:[#6](:[#7]1:[#6]:2:[#7]:[#6](:[#7]:1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=,-[#8,#7])-,=[#7,#6,#8] Row: 2801 Inhibition of human recombinant transmembrane CA12 catalytic domain after 6 hrs by stopped-flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 19.0, mcs nAts: 11 [#8,#7,#16]=,-[#6,#16]1:,-[#6]:,=[#6]:,-[#6]2:[#6](:,-[#8,#6]:,-1):,-[#6,#8]:,=[#6]:,-[#6,#16]:,-[#6,#8]:,-2 Row: 2802 Inhibition of human carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 14 [#7,#6,#8]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-[#6,#7,#8]-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2803 Displacement of [3H]PSB-603 from human adenosine A2B receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 12 [#6]1:,-[#7,#6]:,-[#6,#7]:,-[#6](:,-[#16,#6]:,-1)-[#6,#7]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1 Row: 2804 Inhibition of human carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 14 [#7,#6,#8]-[#6,#7]-[#6,#7]-[#6]-[#6,#7]-[#7,#6]-[#6,#7,#8]-[#6,#7]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2805 Inhibition of MMP3 (unknown origin) catalytic domain using Mca-Arg-Pro-Lys-Pro-Val-Glu-Nva-Trp-Arg-Lys(Dnp)-NH2 as substrate preincubated for 60 mins followed by substrate addition by fluorescence assay * postgresql://localhost/chembl_23 Mean nAts 32.8, mcs nAts: 31 [#6]-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#7]-[#6](=[#8])-[#6]1:[#6]:[#6](-[#6]2:[#7]:[#7]:[#7](:[#7]:2)-[#6]-[#6]2-[#6]-[#8,#6]-[#6,#7]-[#6,#8]-[#8,#6]-2):[#6,#7]:[#6](:[#7]:1)-[#6] Row: 2806 Displacement of [3H]AVP from rat vasopressin V1b receptor expressed in At-T20 cells * postgresql://localhost/chembl_23 Mean nAts 72.4, mcs nAts: 43 [#6,#7]-[#6]-[#6]-[#6]1-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-[#6]:,-2)-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]2:[#6]:[#6]:[#6]:[#6,#7]:[#6]:2)-[#7]-[#6](=[#8])-[#6]-[#6,#7]-[#16,#6]-[#16,#6]-[#6]-[#6,#16]-[#7,#16]-[#6]-[#6](-[#7]-[#6]-1=[#8])-[#6]-[#6,#7] Row: 2807 Displacement of [125I]alpha-BTX from alpha-7 nAChR in rat hippocampus membrane * postgresql://localhost/chembl_23 Mean nAts 22.7, mcs nAts: 19 [#8]=[#6]1-[#8]-[#6]2(-[#6]-[#7]3-[#6]-[#6]-[#6]-2-[#6]-[#6]-3)-[#6]-[#7]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2808 Binding affinity to human His-tagged MDM2 (1 to 118 residues) using FAM tagged p53-based peptide by fluorescence prolarization based protein binding assay * postgresql://localhost/chembl_23 Mean nAts 36.7, mcs nAts: 27 [#6]1-[#7]-[#6](-[#6](=[#8])-[#7]-[#6])-[#6](-[#6]-12-[#6](=[#8])-[#7]-[#6]1:[#6]-2:[#6]:[#6]:[#6](:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#9])-[#17] Row: 2809 Displacement of [3H]-(+)-pentazocine from sigma1 receptor in guinea pig brain membrane after 150 mins by scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 27.6, mcs nAts: 23 [#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7](:,-[#6]:,-[#6]:,-1)-[#6]-[#6]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6,#8]-[#6]-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2810 Inhibition of porcine kidney leucine aminopeptidase M17 using Leu-AMC as substrate preincubated for 30 to 60 mins followed by substrate addition measured for 15 mins by spectrofluorimetric analysis * postgresql://localhost/chembl_23 Mean nAts 17.8, mcs nAts: 9 [#6]-[#7,#6]-[#6]-[#6](-[#7])-[#15](=[#8])(-[#8])-[#8,#6] Row: 2811 Inhibition of human alpha thrombin * postgresql://localhost/chembl_23 Mean nAts 34.2, mcs nAts: 26 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#16](=[#8])(=[#8])-[#7]-[#6](-[#6]-[#6]-[#6]-[#7]-,=[#6](=,-[#7])-[#7])-[#6](=[#8])-[#7]1-[#6]-[#6]-[#7,#6,#8]-[#6]-[#6]-1 Row: 2812 Displacement of [3H]PSB-11 from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 26.1, mcs nAts: 12 [#6]1:,-[#7,#6]:,-[#6,#7]:,-[#6](:,-[#16,#6]:,-1)-[#6,#7]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6,#7]:1 Row: 2813 Displacement of [3H]histamine from histamine H3 receptor in rat cerebral cortex * postgresql://localhost/chembl_23 Mean nAts 18.2, mcs nAts: 15 [#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2814 Inhibition of human recombinant carbonic anhydrase 1 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 8 [#8,#6,#7]-[#6,#8,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2815 Inhibition of human recombinant carbonic anhydrase 2 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 8 [#8,#6,#7]-[#6,#8,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2816 Inhibition of human recombinant carbonic anhydrase 9 by CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 21.2, mcs nAts: 8 [#8,#6,#7]-[#6,#8,#16]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2817 Displacement of [3H]CHA from human adenosine A1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 40.2, mcs nAts: 34 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6](=[#8])-[#7]-[#6])-[#6](-[#6]-1-[#8])-[#8] Row: 2818 Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 40.6, mcs nAts: 34 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6](=[#8])-[#7]-[#6])-[#6](-[#6]-1-[#8])-[#8] Row: 2819 Inhibition of human recombinant carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 22 [#6]1:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35]):[#6]:[#7](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2820 Inhibition of human recombinant carbonic anhydrase 9 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 22 [#6]1:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35]):[#6]:[#7](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2821 Inhibition of human recombinant carbonic anhydrase 2 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 22 [#6]1:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35]):[#6]:[#7](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2822 Inhibition of human recombinant carbonic anhydrase 1 preincubated for 15 mins by stopped-flow CO2 hydrase assay * postgresql://localhost/chembl_23 Mean nAts 32.4, mcs nAts: 22 [#6]1:[#6](-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#35]):[#6]:[#7](:[#6]:1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2823 Binding affinity to RXRgamma * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 17 [#6]-[#6](-[#6]=[#6]-[#6]-[#7]-[#6](:[#6]:[#6]:[#6]:,-[#6]-[#6]):[#6])=[#6]-[#6](=[#8])-[#8] Row: 2824 Displacement of [3H]histamine from human histamine H4 receptor expressed in SF9 cells coexpressing Galphai2, Gbeta1gamma2 * postgresql://localhost/chembl_23 Mean nAts 18.2, mcs nAts: 15 [#6]-[#6]-[#6]-[#7]-[#6](=[#8])-[#8]-[#6]-[#6]-[#6]-[#6]1:[#6]:[#7]:[#6]:[#7]:1 Row: 2825 Displacement of [125I]human CLR from human CGRP expressed in HEK293 cells coexpressing human RAMP1 * postgresql://localhost/chembl_23 Mean nAts 35.9, mcs nAts: 14 [#6,#8]-,=[#7,#6]1-[#6,#7]-[#7,#6]-,:[#6,#7]-[#6]-12-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#6]-2 Row: 2826 Binding affinity to RXRbeta * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 17 [#6]-[#6](-[#6]=[#6]-[#6]-[#7]-[#6](:[#6]:[#6]:[#6]:,-[#6]-[#6]):[#6])=[#6]-[#6](=[#8])-[#8] Row: 2827 Binding affinity to RXRalpha * postgresql://localhost/chembl_23 Mean nAts 27.9, mcs nAts: 17 [#6]-[#6](-[#6]=[#6]-[#6]-[#7]-[#6](:[#6]:[#6]:[#6]:,-[#6]-[#6]):[#6])=[#6]-[#6](=[#8])-[#8] Row: 2828 Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 40.2, mcs nAts: 34 [#6]-[#6]-[#7]-[#6](=[#8])-[#6]1-[#8]-[#6](-[#7]2:[#6]:[#7]:[#6]3:[#6]:2:[#7]:[#6]:[#7]:[#6]:3-[#7]-[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2)-[#8]-[#6]-[#6](=[#8])-[#7]-[#6])-[#6](-[#6]-1-[#8])-[#8] Row: 2829 Displacement of [3H]8-OH-DPAT from rat brain 5HT1A receptor * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 18 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6](:[#7]:2-[#6]-[#6]-[#6]-[#7,#6])=,-[#8] Row: 2830 Displacement of [3H]ketanserin from rat brain 5HT2A receptor * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 18 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6](:[#7]:2-[#6]-[#6]-[#6]-[#7,#6])=,-[#8] Row: 2831 Displacement of [3H]CGS21680 from adenosine A2A receptor in rat striatal membrane * postgresql://localhost/chembl_23 Mean nAts 27.7, mcs nAts: 17 [#6]-[#16,#7,#8]-[#6]1:[#7]:[#6](-[#7]):[#7]2:[#6](:[#7]:1):[#7]:[#6](:[#7]:2)-[#6]1:[#6]:[#6]:[#6]:[#8]:1 Row: 2832 Displacement of [3H]5CT from 5HT7 receptor in Wistar rat hyphalamic membrane * postgresql://localhost/chembl_23 Mean nAts 31.7, mcs nAts: 18 [#6]-[#7]1:[#6](=[#8]):[#6]2:[#6](:[#7](:[#6]:1=[#8])-[#6]):[#7]:[#6](:[#7]:2-[#6]-[#6]-[#6]-[#7,#6])=,-[#8] Row: 2833 Displacement of [3H]histamine from human recombinant histamine H4 receptor * postgresql://localhost/chembl_23 Mean nAts 17.7, mcs nAts: 8 [#6,#8,#9,#17]-,=[#6,#7,#8]-[#6,#7]1:,-[#6,#7]:,-[#6]:,-[#7,#6]:,-[#6]:,-[#7,#6]:,-1 Row: 2834 Displacement of [3H]-vasopressin from mouse vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay * postgresql://localhost/chembl_23 Mean nAts 28.9, mcs nAts: 18 [#8]=[#6](-[#6]1:[#6]:[#7]:[#6]2:[#6]:1:[#6]:[#6]:[#6](:[#6]:2)-[#17])-[#7]1-[#6]-[#6]-[#6,#7]-[#6]-[#6]-1 Row: 2835 Inhibition of human acetylcholinesterase 1 * postgresql://localhost/chembl_23 Mean nAts 17.4, mcs nAts: 6 [#6,#7]1:,-[#6]:,-,=[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 2836 Displacement of [3H]AF-DX 384 from Drosophila melanogaster mAChR by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 4 [#6,#7,#8]-,=,#[#6,#7,#8]-,#[#7,#6,#8]-,=,#[#6,#7,#8,#15] Row: 2837 Displacement of [3H]QNB from Drosophila melanogaster mAChR by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 22.0, mcs nAts: 4 [#6,#7,#8]-,=,#[#6,#7,#8]-,#[#7,#6,#8]-,=,#[#6,#7,#8,#15] Row: 2838 Inhibition of human butyrylcholinesterase * postgresql://localhost/chembl_23 Mean nAts 17.4, mcs nAts: 6 [#6,#7]1:,-[#6]:,-,=[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-1 Row: 2839 Inhibition of human HSD1 assessed as interconversion of cortisone to cortisol * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 27 [#6]-[#6](-[#6])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)(-[#16](-,=[#7,#6,#8])(=[#8])=,-[#8,#6])-[#6]-3 Row: 2840 Inhibition of mouse HSD1 assessed as interconversion of cortisone to cortisol * postgresql://localhost/chembl_23 Mean nAts 29.5, mcs nAts: 27 [#6]-[#6](-[#6])(-[#8]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#7]-[#6]1-[#6]2-[#6]-[#6]3-[#6]-[#6]-1-[#6]-[#6](-[#6]-2)(-[#16](-,=[#7,#6,#8])(=[#8])=,-[#8,#6])-[#6]-3 Row: 2841 Displacement of [3H]Citalopram from SERT in rat cerebral cortex after 1 hr by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 32.9, mcs nAts: 19 [#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6,#7]:[#6,#7]:,-[#6]:,-1-,:[#6,#7]-,:[#6]-,:[#7](-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6,#7]:,-[#6]-[#6]-1)-,:[#6] Row: 2842 Displacement of [125I]DOI from human recombinant 5HT2A receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#7,#6]:1-[#6,#17])-[#8]-[#6]-[#6]-[#7] Row: 2843 Displacement of [125I]DOI from human recombinant 5HT2C receptor expressed in HEK293 cells by scintillation counting * postgresql://localhost/chembl_23 Mean nAts 33.3, mcs nAts: 25 [#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6](=[#8])-[#7]-[#6]1:[#6]:[#6]:[#6](:[#6](:[#6]:1)-[#6]1:[#6,#7]:[#6,#7]:[#7,#6]:[#7,#6]:1-[#6,#17])-[#8]-[#6]-[#6]-[#7] Row: 2844 Displacement of [20-3H]PDBu from recombinant PKC alpha in presence of phosphatidylserine * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 12 [#6]-[#6](-[#6])-[#6]-[#6](-[#6]-[#6]=[#6])-[#6]-[#6](-[#6])-[#6] Row: 2845 Displacement of [3H]-histamine from human histamine H4 receptor expressed in insect Sf9 cell membrane co-expressing Galphai2/Gbeta1gamma2 subunits after 60 mins by liquid scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 21.8, mcs nAts: 20 [#6,#8]-[#7,#6]1-,:[#6]-,:[#6]-,:[#7,#6](-,:[#6]-,:[#6]-,:1)-[#6]1:[#7]:[#6](-[#7]):[#7]:[#6](:[#7]:1)-[#6,#7]1:,-[#6]:,-[#6]:,-[#6,#7]:,-[#6]:,-[#6]:,-1 Row: 2846 Inhibition of human carbonic anhydrase 1 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2847 Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells * postgresql://localhost/chembl_23 Mean nAts 49.0, mcs nAts: 31 [#6]-[#7]1-[#6](=[#8])-[#8]-[#6]2(-[#6]3:[#6]-1:[#6]:[#6]:[#6](:[#6]:3)-[#9])-[#6]-[#6]-[#7](-[#6]-[#6]-2)-[#6]-[#6]-[#6]-[#6](=,-[#8,#6])-[#7,#6]-[#6,#7]-[#6](=,-[#8,#6])-[#7,#6]-[#6,#7]-[#6]-[#7,#6,#8] Row: 2848 Reversible mixed-type inhibition of horse serum butyrylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 15 [#6]-[#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2849 Reversible mixed-type inhibition of electric eel acetylcholinesterase using acetylcholine bromide as substrate by Lineweaver-Burk plot analysis * postgresql://localhost/chembl_23 Mean nAts 23.2, mcs nAts: 15 [#6]-[#7]1:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2850 Displacement of 3-[4-({2',6'-dimethyl-6-[(4-[3H])phenylmethoxy]biphenyl-3-yl}methoxy)phenyl] propanoic acid from rat GPR40 receptor expressed in CHO cell membrane after 90 mins by liquid scintillation counting in the presence of 0.2% BSA * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 27 [#6]-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1-[#6]1:[#6]:[#6]:[#6]:[#6](:[#6]:1)-[#6]-[#8,#7]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]-[#6]-[#6](=[#8])-[#8])-[#6] Row: 2851 Inhibition of human carbonic anhydrase 2 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2852 Inhibition of rat recombinant FAAH expressed in Escherichia coli using [14C]oleamide as substrate assessed as oleic acid formation by Dixon plot analysis * postgresql://localhost/chembl_23 Mean nAts 28.3, mcs nAts: 18 [#8]=[#6](-[#6]1:[#7]:[#6]:[#6]:[#8]:1)-[#6]1-[#6]-[#8,#6]-[#6]2:[#6](-[#6,#8]-1):[#6]:[#6]:[#6](:[#6]:2)-[#6,#8] Row: 2853 Competitive inhibition of human aromatase using dibenzylfluorescein substrate after 10 mins preincubation measured every 10 sec for 5 mins by Michaelis-Menten and Dixon plot analysis * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 7 [#8,#6,#9,#17,#35]-[#6]1:[#6]:[#6,#7]:[#6]:[#6]:[#6,#7]:1 Row: 2854 Inhibition of human carbonic anhydrase 3 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2855 Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in CHO cell membranes * postgresql://localhost/chembl_23 Mean nAts 31.5, mcs nAts: 17 [#6]-[#6]-[#7,#8]-[#6](=[#8])-[#6]1:[#6]:[#6]:[#6](:[#6](:[#7]:1)-[#8]-[#6]-[#6]1-[#6]-[#6]-1)-[#7,#6] Row: 2856 Displacement of [3H]PK11195 from TSPO in rat kidney mitochondrial membranes * postgresql://localhost/chembl_23 Mean nAts 28.7, mcs nAts: 27 [#6]-[#7](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6](=[#8])-[#6]1:[#7]:[#6](-[#6]2:[#6]:[#6]:[#6]:[#6]:[#6]:2):[#6]2:[#6](:[#7,#6]:1):[#6]:[#6]:[#6]:[#6]:2 Row: 2857 Binding affinity to human CB2 receptor expressed in CHOK1 cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 25 [#6,#7]-[#7](:,-[#6,#7]:,=[#7,#6]):,-[#6](:,-[#6]1:,-[#7,#6]:,=[#7,#6](:,-[#6,#7](:,-[#6,#7]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])=[#8] Row: 2858 Displacement of [3H]SR-141716 from human CB1 receptor transfected in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 25 [#6,#7]-[#7](:,-[#6,#7]:,=[#7,#6]):,-[#6](:,-[#6]1:,-[#7,#6]:,=[#7,#6](:,-[#6,#7](:,-[#6,#7]:,-1)-[#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#17])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1-[#17])=[#8] Row: 2859 Displacement of [3H]NAMH from human histamine H3 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 25.4, mcs nAts: 21 [#6]-[#7]1-[#6]-[#6]-[#6](-[#6]-[#6]-1)-[#8]-[#6]1:[#6]:[#6]:[#6](:[#6]:[#7,#6]:1)-[#6]1:,-[#6,#7]:,-[#6,#7]:,-[#6](:,-[#7,#6]:,-[#7,#6]:,=1)=[#8] Row: 2860 Displacement of N-[3H]-alpha-methylhistamine from human histamine H3 receptor expressed in SK-N-MC cells * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 29 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6]-2-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2861 Displacement of [3H]citalopram from rat brain SERT * postgresql://localhost/chembl_23 Mean nAts 31.0, mcs nAts: 29 [#6]1:[#6]:[#6]:[#6](:[#6]:[#6]:1)-[#6]1-[#6]-[#7]2-[#6]-[#6]-[#6]-[#6]-2-[#6]2:[#6]-1:[#6]:[#6]:[#6](:[#6]:2)-[#8]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2862 Antagonist activity at androgen receptor (unknown origin) * postgresql://localhost/chembl_23 Mean nAts 34.3, mcs nAts: 13 [#7]-[#6]1:[#6]:[#6,#7]:[#6](:[#6](:[#6]:1)-[#6](-[#9])(-[#9])-[#9])-[#6]#[#7] Row: 2863 Displacement of [3H]diprenorphine from human cloned mu opioid receptor * postgresql://localhost/chembl_23 Mean nAts 44.2, mcs nAts: 38 [#16,#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1)-[#6](=,-[#8,#7])-,=[#8,#7] Row: 2864 Inhibition of N-terminally His6-tagged human beta-catenin (residues 138-686)/C-terminally biotinylated human Tcf4 (residues 7-51) interaction after 45 mins by AlphaScreen competitive inhibition assay * postgresql://localhost/chembl_23 Mean nAts 24.0, mcs nAts: 6 [#7,#6]1:[#7,#6]:[#6]:[#7,#6]:[#6]-,:[#6]:1 Row: 2865 Displacement of [3H]diprenorphine from human cloned delta opioid receptor * postgresql://localhost/chembl_23 Mean nAts 44.2, mcs nAts: 38 [#16,#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1)-[#6](=,-[#8,#7])-,=[#8,#7] Row: 2866 Displacement of [3H]diprenorphine from human cloned kappa opioid receptor * postgresql://localhost/chembl_23 Mean nAts 44.2, mcs nAts: 38 [#16,#6]-[#6]-[#6]-[#6](-[#7]-[#6](=[#8])-[#6](-[#6]-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6]-[#7]-[#6](=[#8])-[#6](-[#7])-[#6]-[#6]1:[#6]:[#6]:[#6,#7]:[#6]:[#6]:1)-[#6](=,-[#8,#7])-,=[#8,#7] Row: 2867 Competitive inhibition of esterase activity of human thrombin assessed as decrease in p-nitrophenol production using Nalpha-Z-L-Lys-ONp as substrate by spectrophotometric analysis * postgresql://localhost/chembl_23 Mean nAts 13.7, mcs nAts: 9 [#7,#6]=,-[#6,#7](-[#7,#6])-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2868 Displacement of [3H]-LSD from human recombinant 5-HT6 receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 35.4, mcs nAts: 16 [#6,#7]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2869 Inhibition of human carbonic anhydrase 4 by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2870 Displacement of [3H]-MLA from Sprague-Dawley rat brain alpha7 nicotine acetylcholine receptor after 90 mins by radioligand displacement assay * postgresql://localhost/chembl_23 Mean nAts 19.9, mcs nAts: 13 [#6]-[#7](-[#6])-[#6]-[#6]-[#8]-[#6]1:[#6]:[#7,#6]:[#6]:[#6](:[#6]:1)-[#7,#6,#9] Row: 2871 Displacement of [3H]-8-OH-DPAT from human recombinant 5-HT1A receptor expressed in HEK293 cell membrane after 1 hr by Microbeta scintillation counting analysis * postgresql://localhost/chembl_23 Mean nAts 35.7, mcs nAts: 16 [#6,#7]-[#6]-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7,#6]:[#6]:[#6]:[#6]:[#7,#6]:1 Row: 2872 Inhibition of human carbonic anhydrase 5A by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2873 Inhibition of human carbonic anhydrase 1 by by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 17 [#6,#8,#16]-,=[#6](=,-[#8,#6,#7])-,=[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2874 Inhibition of human carbonic anhydrase 2 by by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 17 [#6,#8,#16]-,=[#6](=,-[#8,#6,#7])-,=[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2875 Inhibition of human carbonic anhydrase 9 by by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 17 [#6,#8,#16]-,=[#6](=,-[#8,#6,#7])-,=[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2876 Inhibition of human carbonic anhydrase 12 by by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 29.6, mcs nAts: 17 [#6,#8,#16]-,=[#6](=,-[#8,#6,#7])-,=[#7]-[#6]1:[#7]:[#6]2:[#6]:[#6]:[#6](:[#6]:[#6]:2:[#16]:1)-[#16](-[#7])(=[#8])=[#8] Row: 2877 Inhibition of human carbonic anhydrase 5B by stopped flow CO2 hydration method * postgresql://localhost/chembl_23 Mean nAts 18.5, mcs nAts: 4 [#7,#6,#8]-,=[#6,#7]-[#6,#7,#8]-[#6,#7] Row: 2878 Displacement of [3H]N-methylscopolamine from muscarinic M3 receptor in rat submandibular gland * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 20 [#6]-[#6]-[#7]1-[#6]-[#6]2-[#6](-[#6]-2-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6] Row: 2879 Displacement of [3H]N-methylscopolamine from muscarinic M2 receptor in rat heart * postgresql://localhost/chembl_23 Mean nAts 30.4, mcs nAts: 20 [#6]-[#6]-[#7]1-[#6]-[#6]2-[#6](-[#6]-2-[#6]-1)-[#7]-[#6](=[#8])-[#6](-[#8])(-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1)-[#6] Row: 2880 Inhibition of human recombinant EGFR by fluorescence polarization assay * postgresql://localhost/chembl_23 Mean nAts 30.9, mcs nAts: 23 [#8,#6]-[#6]1:[#6]:[#6]:[#6]2:[#6](:[#6]:1):[#6](:[#6](:[#6]:[#7]:2)-[#6]#[#7])-[#7]-[#6]1-[#6]-[#6]-1-[#6]1:[#6]:[#6]:[#6]:[#6]:[#6]:1 Row: 2881 Displacement of [3H]spiperone from human D2L receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.2, mcs nAts: 26 [#6]1-[#6]-[#6,#7]-[#6]2:[#6]-1:[#6]:[#6](:[#6]:[#6]:2)-[#6]-[#6]-[#7]1-[#6]-[#6]-[#7](-[#6]-[#6]-1)-[#6]1:[#7]:[#16]:[#6]2:[#6]:1:[#6]:[#6]:[#6]:[#6]:2 Row: 2882 Binding affinity to human bradykinin B1 receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 29.1, mcs nAts: 21 [#6]-[#6]1:[#6](-[#9,#17]):[#6]:[#6]:[#6]:[#6]:1-[#6]1:[#6]:[#6,#7]:[#6](:[#6](:[#6]:1)-[#9,#17])-[#6]-[#7]-[#6](=[#8])-[#6]-[#8,#6,#7] Row: 2883 Displacement of [3H]naltrindole from human delta opioid receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 15 [#6,#7]-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2884 Displacement of [3H]diprenorphine from human kappa opioid receptor expressed in HEK293 cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 15 [#6,#7]-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Row: 2885 Displacement of [3H]diprenorphine from human mu opioid receptor expressed in CHO cells * postgresql://localhost/chembl_23 Mean nAts 33.5, mcs nAts: 15 [#6,#7]-[#6](-,=[#6,#8])-[#6]1-[#6]-[#6]-[#6,#7](-[#6]-[#6]-1)-[#7,#6]1-[#6]-[#6]-[#6]-[#6]-[#6]-1
for i,row in enumerate(results):
ms = list(row[1])
row = (row[0],ms,row[2],row[3])
results[i] = row
import pickle
pickle.dump(results,open('../data/scaffolds_revisited2.pkl','wb+'))
results[0]
((523462, 49, 'Displacement of [3H]PSB0413 from human platelet P2Y12 receptor'), [(501373, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2O)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501646, 'Cc1cc(C)c(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1N.[Na+]'), (217720, 'Cc1cc(C)c(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(C)c1.[Na+]'), (438601, 'CC(=O)Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]'), (438640, 'Nc1c(S(=O)(=O)[O-])cc(Nc2cccc([N+](=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501294, 'Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1.[Na+]'), (501293, 'Nc1ccccc1Nc1cc(S(=O)(=O)[O-])c(N)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501217, 'Nc1c(S(=O)(=O)[O-])cc(Nc2cccc3ccccc23)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501216, 'COc1ccc(CCNc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1OC.[Na+]'), (501215, 'Nc1c(S(=O)(=O)[O-])cc(NCCc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501214, 'Nc1c(S(=O)(=O)[O-])cc(NCc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501520, 'Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)c(S(=O)(=O)[O-])c1.[Na+].[Na+]'), (501371, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (438892, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccccc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (438641, 'Nc1c(S(=O)(=O)[O-])cc(Nc2cccc(Cl)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (438642, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cl)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501521, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cl)cc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501519, 'Nc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc(C(=O)O)c1.[Na+]'), (501647, 'Nc1c(S(=O)(=O)[O-])cc(Nc2cc(Nc3nc(Cl)nc(Cl)n3)cc(C(=O)O)c2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (218035, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'), (501459, 'Nc1ccc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)cc1S(=O)(=O)[O-].[Na+].[Na+]'), (438604, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501719, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Sc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501458, 'Nc1cc(Nc2cc(S(=O)(=O)[O-])c(N)c3c2C(=O)c2ccccc2C3=O)ccc1S(=O)(=O)[O-].[Na+].[Na+]'), (501372, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(S(=O)(=O)[O-])cc2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'), (501522, 'Nc1c(S(=O)(=O)[O-])cc(Nc2cc(Cl)ccc2C(=O)O)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501648, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3nc(Cl)nc(Cl)n3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501649, 'COc1nc(Cl)nc(Nc2ccc(Nc3cc(S(=O)(=O)[O-])c(N)c4c3C(=O)c3ccccc3C4=O)cc2S(=O)(=O)[O-])n1.[Na+].[Na+]'), (501651, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Cc3ccccc3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501721, 'Cc1cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c(c1N)C(=O)c1ccccc1C2=O.[Na+]'), (501789, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ncccn3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'), (501720, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Oc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'), (501650, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+].[Na+]'), (501788, 'Nc1c(C(=O)O)cc(Nc2ccc(Nc3ccccc3)c(S(=O)(=O)[O-])c2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501457, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(O)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (501790, 'Nc1c(S(=O)(=O)[O-])cc(Nc2ccc(Nc3ncccn3)cc2)c2c1C(=O)c1ccccc1C2=O.[Na+]'), (61756, 'O=C1c2cccc(O)c2C(=O)c2c(O)cc(CO)cc21'), (61469, 'Cc1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O'), (61174, 'Cc1cc(O)c2c(c1)C(=O)c1cc(O)cc(O)c1C2=O'), (649641, 'Cc1cc(O)c2c(c1)C(=O)c1cc(O[C@@H]3O[C@@H](C)[C@H](O)[C@@H](O)[C@H]3O)cc(O)c1C2=O'), (61248, 'COc1cc(O)c2c(c1)C(=O)c1cc(C)cc(O)c1C2=O'), (501859, 'COC(=O)c1cc(O)c2c(c1)C(=O)c1cccc(O)c1C2=O'), (501860, 'O=C1c2c(O)cccc2C(C2OC(CO)C(O)C(O)C2O)c2cc(CO)cc(O)c21'), (204788, 'Cc1cc(O)c2c(c1)Cc1cc(O)cc(O)c1C2=O'), (438486, 'CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)ccc(Cl)c4[C@@](C)(O)[C@H]3C[C@@H]12'), (373985, 'CN(C)[C@@H]1C(O)=C(C(N)=O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12'), (78759, 'COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@](O)(C(=O)CO)C[C@@H]3O[C@H]1C[C@H](N)[C@H](O)[C@H](C)O1'), (4504, 'O=C1c2c(O)ccc(O)c2C(=O)c2c(NCCNCCO)ccc(NCCNCCO)c21'), (501858, 'Cc1cc(O)c2c(c1)C(=O)c1cc(OC3OCC(O)(CO)C3O)cc(O)c1C2=O')], MCSRes(smarts='[#6,#8,#16]-[#6]1:,-[#6]:,-[#6](-[#8,#7]):,-[#6]2:[#6](:,-[#6]:,-1)-,:[#6](=,-[#8,#6])-,:[#6]1:,-[#6]:,-[#6]:[#6]:,-[#6]:,-[#6]:1-,:[#6]-,:2=,-[#8]', numAtoms=18, numMols=49, avgNumMolAtoms=array([30, 33, 32, 33, 32, 30, 30, 33, 35, 31, 30, 35, 32, 29, 30, 30, 33, 33, 41, 43, 35, 36, 36, 35, 34, 33, 38, 44, 36, 37, 41, 41, 41, 39, 30, 36, 20, 19, 20, 30, 21, 22, 30, 19, 33, 32, 39, 32, 29]), mcsTime=3.679499626159668), "<?xml version='1.0' encoding='iso-8859-1'?>\n<svg version='1.1' baseProfile='full'\n xmlns='http://www.w3.org/2000/svg'\n xmlns:rdkit='http://www.rdkit.org/xml'\n xmlns:xlink='http://www.w3.org/1999/xlink'\n 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style='font-size:16px;font-style:normal;font-weight:normal;fill-opacity:1;stroke:none;font-family:sans-serif;text-anchor:start;fill:#FF0000' ><tspan>O</tspan></text>\n</svg>\n")
There's a lot more we can do with this set of scaffolds. There are more posts to come...