Compile Data Set for Download or QSAR

Found 1743 hits with Last Name = 'tu' and Initial = 'w'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-2/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-3-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161518 (1-(oxazolo[4,5-b]pyridin-2-yl)-6-phenylhexan-1-one...) Show SMILES O=C(CCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C18H18N2O2/c21-15(18-20-17-16(22-18)12-7-13-19-17)11-6-2-5-10-14-8-3-1-4-9-14/h1,3-4,7-9,12-13H,2,5-6,10-11H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50181745 (3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...) Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membranes				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM23316 (7-phenyl-1-{pyrido[2,3-d][1,3]oxazol-2-yl}heptan-1...) Show SMILES O=C(CCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C19H20N2O2/c22-16(19-21-18-17(23-19)13-8-14-20-18)12-7-2-1-4-9-15-10-5-3-6-11-15/h3,5-6,8,10-11,13-14H,1-2,4,7,9,12H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50275119 (1-(oxazolo[4,5-b]pyridin-2-yl)-5-phenylpentan-1-on...) Show SMILES O=C(CCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C17H16N2O2/c20-14(10-5-4-9-13-7-2-1-3-8-13)17-19-16-15(21-17)11-6-12-18-16/h1-3,6-8,11-12H,4-5,9-10H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181745 (3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...) Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161520 (1-(oxazolo[4,5-b]pyridin-2-yl)-8-phenyloctan-1-one...) Show SMILES O=C(CCCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C20H22N2O2/c23-17(20-22-19-18(24-20)14-9-15-21-19)13-8-3-1-2-5-10-16-11-6-4-7-12-16/h4,6-7,9,11-12,14-15H,1-3,5,8,10,13H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50161525 (1-(oxazolo[4,5-b]pyridin-2-yl)-9-phenylnonan-1-one...) Show SMILES O=C(CCCCCCCCc1ccccc1)c1nc2ncccc2o1 Show InChI InChI=1S/C21H24N2O2/c24-18(21-23-20-19(25-21)15-10-16-22-20)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h5,7-8,10,12-13,15-16H,1-4,6,9,11,14H2	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Rattus norvegicus (Rat))	BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) Show SMILES Clc1ccc(cn1)C1CC2CCC1N2 |TLB:4:7:11.10:13| Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha3beta4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350547 (CHEMBL257307) Show SMILES CCCCCCCCCCCC(=O)c1nc2ncccc2o1 Show InChI InChI=1S/C18H26N2O2/c1-2-3-4-5-6-7-8-9-10-12-15(21)18-20-17-16(22-18)13-11-14-19-17/h11,13-14H,2-10,12H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350545 (CHEMBL257305) Show SMILES CCCCCCCC(=O)c1nc2ncccc2o1 Show InChI InChI=1S/C14H18N2O2/c1-2-3-4-5-6-8-11(17)14-16-13-12(18-14)9-7-10-15-13/h7,9-10H,2-6,8H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.690	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2 (Rattus norvegicus (Rat))	BDBM50475816 (CHEMBL205644) Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Rattus norvegicus (Rat))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from mGluR5 in rat brain membranes				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475816 (CHEMBL205644) Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350546 (CHEMBL1812708) Show SMILES CCCCCCCCCC(=O)c1nc2ncccc2o1 Show InChI InChI=1S/C16H22N2O2/c1-2-3-4-5-6-7-8-10-13(19)16-18-15-14(20-16)11-9-12-17-15/h9,11-12H,2-8,10H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181753 (3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...) Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1 Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.00	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells				J Med Chem 49: 1080-100 (2006) Article DOI: 10.1021/jm050570f BindingDB Entry DOI: 10.7270/Q27S7NC5
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475815 (CHEMBL379303) Show SMILES Cc1cc2C3CNCC(C3)Cn2c(=O)c1 Show InChI InChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50100865 ((Z)-1-(oxazolo[4,5-b]pyridin-2-yl)octadec-9-en-1-o...) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ncccc2o1 Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-21(27)24-26-23-22(28-24)19-17-20-25-23/h9-10,17,19-20H,2-8,11-16,18H2,1H3/b10-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Rattus norvegicus (Rat))	BDBM50475816 (CHEMBL205644) Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302437 (3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM21281 ((11R)-2-methyl-11-(morpholin-4-ylmethyl)-3-(naphth...) Show SMILES Cc1c(C(=O)c2cccc3ccccc23)c2cccc3OC[C@@H](CN4CCOCC4)n1c23 |r| Show InChI InChI=1S/C27H26N2O3/c1-18-25(27(30)22-9-4-7-19-6-2-3-8-21(19)22)23-10-5-11-24-26(23)29(18)20(17-32-24)16-28-12-14-31-15-13-28/h2-11,20H,12-17H2,1H3/t20-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method				Eur J Med Chem 146: 68-78 (2018) Article DOI: 10.1016/j.ejmech.2018.01.034 BindingDB Entry DOI: 10.7270/Q2N58PXN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350554 (CHEMBL272770) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2ccncc2o1 Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)24-26-21-18-19-25-20-23(21)28-24/h9-10,18-20H,2-8,11-17H2,1H3/b10-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302449 ((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302452 ((2S,4S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1C[C@@H](O)C[C@H]1C(O)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C30H31N5O4S/c1-2-23-17-24-26(31-30(32-27(24)40-23)35-18-22(36)16-25(35)29(38)39)33-12-14-34(15-13-33)28(37)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,17,22,25,36H,2,12-16,18H2,1H3,(H,38,39)/t22-,25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475816 (CHEMBL205644) Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-4 (Rattus norvegicus (Rat))	BDBM50143282 ((-)-cytisine | (1R,5S)-1,2,3,4,5,6-Hexahydro-1,5-m...) Show SMILES O=c1cccc2[C@H]3CNC[C@H](C3)Cn12 Show InChI InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8?,9-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350555 (CHEMBL1812590) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2cnccc2o1 Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(27)24-26-21-20-25-19-18-23(21)28-24/h9-10,18-20H,2-8,11-17H2,1H3/b10-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-2 (Rattus norvegicus (Rat))	BDBM50475815 (CHEMBL379303) Show SMILES Cc1cc2C3CNCC(C3)Cn2c(=O)c1 Show InChI InChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302457 (3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-ethylt...) Show SMILES CCc1cc2c(nc(NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O3S/c1-2-22-18-23-25(30-28(31-26(23)37-22)29-13-12-24(34)35)32-14-16-33(17-15-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,34,35)(H,29,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-2/beta-4 (Rattus norvegicus (Rat))	BDBM50475816 (CHEMBL205644) Show SMILES C=Cc1ccc2C3CNCC(C3)Cn2c1=O Show InChI InChI=1S/C13H16N2O/c1-2-10-3-4-12-11-5-9(6-14-7-11)8-15(12)13(10)16/h2-4,9,11,14H,1,5-8H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-2-beta-4 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302437 (3-(3-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-6-eth...) Show SMILES CCc1cc2c(nc(NC(=O)NCCC(O)=O)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C29H30N6O4S/c1-2-22-18-23-25(31-28(32-26(23)40-22)33-29(39)30-13-12-24(36)37)34-14-16-35(17-15-34)27(38)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18H,2,12-17H2,1H3,(H,36,37)(H2,30,31,32,33,39)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Fatty-acid amide hydrolase 1 [30-579] (Rattus norvegicus (rat))	BDBM50350556 (CHEMBL1812591) Show SMILES CCCCCCCC\C=C/CCCCCCCC(=O)c1nc2cccnc2o1 Show InChI InChI=1S/C24H36N2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(27)24-26-21-18-17-20-25-23(21)28-24/h9-10,17-18,20H,2-8,11-16,19H2,1H3/b10-9-	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lille Curated by ChEMBL					Assay Description Inhibition of rat FAAH assessed as reduction in [14C]oleamide conversion to oleic acid by Lineweaver-Burk plot analysis				J Med Chem 60: 4-46 (2017) Article DOI: 10.1021/acs.jmedchem.6b00538 BindingDB Entry DOI: 10.7270/Q2348NZC
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475814 (CHEMBL208438) Show SMILES OCc1cc2C3CNCC(C3)Cn2c(=O)c1 Show InChI InChI=1S/C12H16N2O2/c15-7-8-2-11-10-1-9(4-13-5-10)6-14(11)12(16)3-8/h2-3,9-10,13,15H,1,4-7H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat alpha-4-beta-2 nACHR expressed in human HEK293 cells				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076372 (1-[(S)-2-Oxo-1-pentafluorophenylmethyl-2-(4-pyridi...) Show SMILES Fc1c(F)c(F)c(C[C@H](NC(=O)Nc2nnc(S)s2)C(=O)N2CCN(CC2)c2ccccn2)c(F)c1F Show InChI InChI=1S/C21H18F5N7O2S2/c22-13-10(14(23)16(25)17(26)15(13)24)9-11(28-19(35)29-20-30-31-21(36)37-20)18(34)33-7-5-32(6-8-33)12-3-1-2-4-27-12/h1-4,11H,5-9H2,(H,31,36)(H2,28,29,30,35)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50076341 ((S)-N-Methyl-3-pentafluorophenyl-2-[3-(5-thioxo-4,...) Show SMILES CNC(=O)[C@H](Cc1c(F)c(F)c(F)c(F)c1F)NC(=O)Nc1nnc(S)s1 Show InChI InChI=1S/C13H10F5N5O2S2/c1-19-10(24)4(20-11(25)21-12-22-23-13(26)27-12)2-3-5(14)7(16)9(18)8(17)6(3)15/h4H,2H2,1H3,(H,19,24)(H,23,26)(H2,20,21,22,25)/t4-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pharmacia and Upjohn Curated by ChEMBL					Assay Description Binding affinity for matrix metalloproteinase-3				J Med Chem 42: 1525-36 (1999) Article DOI: 10.1021/jm9803222 BindingDB Entry DOI: 10.7270/Q2C828G4
					More data for this Ligand-Target Pair				3D Structure (crystal)
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302459 ((R)-biphenyl-4-yl(4-(2-(2,3-dihydroxypropylamino)-...) Show SMILES CCc1cc2c(nc(NC[C@@H](O)CO)nc2s1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C28H31N5O3S/c1-2-23-16-24-25(30-28(31-26(24)37-23)29-17-22(35)18-34)32-12-14-33(15-13-32)27(36)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34-35H,2,12-15,17-18H2,1H3,(H,29,30,31)/t22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
ATP-dependent translocase ABCB1 (Homo sapiens (Human))	BDBM50201796 (CHEBI:5677 | Hernandezine) Show SMILES [H][C@]12Cc3ccc(Oc4cc(C[C@]5([H])N(C)CCc6c(OC)c(OC)c(OC)c(Oc7cc1c(CCN2C)cc7OC)c56)ccc4OC)cc3 |r| Show InChI InChI=1S/C39H44N2O7/c1-40-16-14-25-21-32(43-4)34-22-28(25)29(40)18-23-8-11-26(12-9-23)47-33-20-24(10-13-31(33)42-3)19-30-35-27(15-17-41(30)2)36(44-5)38(45-6)39(46-7)37(35)48-34/h8-13,20-22,29-30H,14-19H2,1-7H3/t29-,30-/m0/s1	PDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chang Gung Memorial Hospital Curated by ChEMBL					Assay Description Binding affinity to Vanadate-sensitive ABCB1 (unknown origin)				J Nat Prod 79: 2135-42 (2016) Article DOI: 10.1021/acs.jnatprod.6b00597 BindingDB Entry DOI: 10.7270/Q29G5PSQ
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50475815 (CHEMBL379303) Show SMILES Cc1cc2C3CNCC(C3)Cn2c(=O)c1 Show InChI InChI=1S/C12H16N2O/c1-8-2-11-10-4-9(5-13-6-10)7-14(11)12(15)3-8/h2-3,9-10,13H,4-7H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from rat forebrain alpha4beta2 nACHR				J Med Chem 49: 2673-6 (2006) Article DOI: 10.1021/jm051196m BindingDB Entry DOI: 10.7270/Q2GX4F96
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302449 ((2R,5S)-1-(4-(4-(biphenylcarbonyl)piperazin-1-yl)-...) Show SMILES CCc1cc2c(nc(nc2s1)N1[C@H](CC[C@H]1C(N)=O)C(N)=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 |r| Show InChI InChI=1S/C31H33N7O3S/c1-2-22-18-23-28(34-31(35-29(23)42-22)38-24(26(32)39)12-13-25(38)27(33)40)36-14-16-37(17-15-36)30(41)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,18,24-25H,2,12-17H2,1H3,(H2,32,39)(H2,33,40)/t24-,25+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed in CHO cell membrane in presence of HSA and human AGP				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50292278 (CHEMBL4174271) Show SMILES CCN1CCN(CC1)c1nc(C)nc2oc(nc12)-c1ccccc1Cl Show InChI InChI=1S/C18H20ClN5O/c1-3-23-8-10-24(11-9-23)16-15-18(21-12(2)20-16)25-17(22-15)13-6-4-5-7-14(13)19/h4-7H,3,8-11H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Curated by ChEMBL					Assay Description Displacement of [3H]-CP-55940 from human CB2 expressed in CHO cells after 90 mins by TopCount scintillation counting method				Eur J Med Chem 146: 68-78 (2018) Article DOI: 10.1016/j.ejmech.2018.01.034 BindingDB Entry DOI: 10.7270/Q2N58PXN
					More data for this Ligand-Target Pair
P2Y purinoceptor 12 (Homo sapiens (Human))	BDBM50302451 (CHEMBL568566 | biphenyl-4-yl(4-(6-ethyl-2-(3-hydro...) Show SMILES CCc1cc2c(nc(nc2s1)N1CC(O)C1)N1CCN(CC1)C(=O)c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C28H29N5O2S/c1-2-23-16-24-25(29-28(30-26(24)36-23)33-17-22(34)18-33)31-12-14-32(15-13-31)27(35)21-10-8-20(9-11-21)19-6-4-3-5-7-19/h3-11,16,22,34H,2,12-15,17-18H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Global Research and Development Curated by ChEMBL					Assay Description Binding affinity to human recombinant P2Y12 receptor expressed on CHO cell membrane				Bioorg Med Chem Lett 19: 5919-23 (2009) Article DOI: 10.1016/j.bmcl.2009.08.059 BindingDB Entry DOI: 10.7270/Q2GT5N8K
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 1743 total )  |  Next  |  Last  >>

Jump to: