Compile Data Set for Download or QSAR

Found 366 hits with Last Name = 'davey' and Initial = 'wb'   

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
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059233 (4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-py...) Show SMILES Nc1nc(cc(n1)-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H23ClN4/c23-19-8-6-17(7-9-19)20-14-21(26-22(24)25-20)18-10-12-27(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50065229 (4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...) Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha5-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050474 (4-[5-(4-Chloro-phenyl)-4-methyl-1H-pyrazol-3-yl]-1...) Show SMILES Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H26ClN3/c1-17-22(19-7-9-21(24)10-8-19)25-26-23(17)20-12-15-27(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059230 (1-Benzyl-4-[5-(4-chloro-phenyl)-4-ethyl-1H-pyrazol...) Show SMILES CCc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C23H26ClN3/c1-2-21-22(18-8-10-20(24)11-9-18)25-26-23(21)19-12-14-27(15-13-19)16-17-6-4-3-5-7-17/h3-11,19H,2,12-16H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059228 (1-Benzyl-4-[5-(4-chloro-phenyl)-4-methyl-1H-pyrazo...) Show SMILES Cc1c([nH]nc1-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H24ClN3/c1-16-21(18-7-9-20(23)10-8-18)24-25-22(16)19-11-13-26(14-12-19)15-17-5-3-2-4-6-17/h2-10,19H,11-15H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D3 (hD3) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050471 (4-[3-(4-Chloro-phenyl)-4-methyl-isoxazol-5-yl]-1-p...) Show SMILES Cc1c(onc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H25ClN2O/c1-17-22(19-7-9-21(24)10-8-19)25-27-23(17)20-12-15-26(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059219 (4-(4-Methyl-5-phenyl-1H-pyrazol-3-yl)-1-phenethyl-...) Show SMILES Cc1c(n[nH]c1C1=CCN(CCc2ccccc2)CC1)-c1ccccc1 |t:7| Show InChI InChI=1S/C23H25N3/c1-18-22(20-10-6-3-7-11-20)24-25-23(18)21-13-16-26(17-14-21)15-12-19-8-4-2-5-9-19/h2-11,13H,12,14-17H2,1H3,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112233 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050476 (4-[5-(4-Chloro-phenyl)-4-methyl-isoxazol-3-yl]-1-p...) Show SMILES Cc1c(noc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C23H25ClN2O/c1-17-22(25-27-23(17)20-7-9-21(24)10-8-20)19-12-15-26(16-13-19)14-11-18-5-3-2-4-6-18/h2-10,19H,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112224 (3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...) Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050475 (1-(4-Chloro-benzyl)-4-[3-(4-chloro-phenyl)-isoxazo...) Show SMILES Clc1ccc(CN2CCC(CC2)c2cc(no2)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C21H20Cl2N2O/c22-18-5-1-15(2-6-18)14-25-11-9-17(10-12-25)21-13-20(24-26-21)16-3-7-19(23)8-4-16/h1-8,13,17H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112218 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50065229 (4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...) Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112232 (5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1 Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059240 (4-(4-Chloro-phenyl)-5-methyl-6-(1-phenethyl-piperi...) Show SMILES Cc1c(nc(N)nc1-c1ccc(Cl)cc1)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C24H27ClN4/c1-17-22(19-7-9-21(25)10-8-19)27-24(26)28-23(17)20-12-15-29(16-13-20)14-11-18-5-3-2-4-6-18/h2-10,20H,11-16H2,1H3,(H2,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112218 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50050472 (4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-phenethy...) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CCc2ccccc2)CC1 Show InChI InChI=1S/C22H24ClN3/c23-20-8-6-18(7-9-20)21-16-22(25-24-21)19-11-14-26(15-12-19)13-10-17-4-2-1-3-5-17/h1-9,16,19H,10-15H2,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50065229 (4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...) Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3	GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM25878 (5-(2-fluorophenyl)-1-methyl-7-nitro-2,3-dihydro-1H...) Show SMILES CN1c2ccc(cc2C(=NCC1=O)c1ccccc1F)[N+]([O-])=O |c:9| Show InChI InChI=1S/C16H12FN3O3/c1-19-14-7-6-10(20(22)23)8-12(14)16(18-9-15(19)21)11-4-2-3-5-13(11)17/h2-8H,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112220 (3-(4-Methoxy-phenyl)-1-methyl-5-thiazol-2-yl-1H-[2...) Show SMILES COc1ccc(cc1)-c1cc(-c2nccs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C21H17N3O2S/c1-24-19(15-7-9-22-10-8-15)17(14-3-5-16(26-2)6-4-14)13-18(21(24)25)20-23-11-12-27-20/h3-13H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112232 (5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1 Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112237 (1'-Methyl-5'-(4-methyl-thiazol-2-yl)-1'H-[4,2';3',...) Show SMILES Cc1csc(n1)-c1cc(-c2ccncc2)c(-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C20H16N4OS/c1-13-12-26-19(23-13)17-11-16(14-3-7-21-8-4-14)18(24(2)20(17)25)15-5-9-22-10-6-15/h3-12H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50089761 ((R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-...) Show SMILES CN(Cc1ccccc1)C(=O)[C@@H]1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112224 (3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...) Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50065229 (4-Ethyl-6,7-dimethoxy-9H-beta-carboline-3-carboxyl...) Show SMILES CCc1c([nH]cc2nc3cc(OC)c(OC)cc3c12)C(=O)OC Show InChI InChI=1S/C17H18N2O4/c1-5-9-15-10-6-13(21-2)14(22-3)7-11(10)19-12(15)8-18-16(9)17(20)23-4/h6-8,18H,5H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50059233 (4-(1-Benzyl-piperidin-4-yl)-6-(4-chloro-phenyl)-py...) Show SMILES Nc1nc(cc(n1)-c1ccc(Cl)cc1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C22H23ClN4/c23-19-8-6-17(7-9-19)20-14-21(26-22(24)25-20)18-10-12-27(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H2,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D2 stably expressed in CHO cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112233 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	8.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro-15-1788 from human Gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 stably expressed in L(tk-) cells				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059239 (1-Benzyl-4-[5-(4-chloro-phenyl)-1H-pyrazol-3-yl]-p...) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C21H22ClN3/c22-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-25(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18H,10-13,15H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059235 (4-(5-Cyclohexyl-1H-pyrazol-3-yl)-1-phenethyl-piper...) Show SMILES C(Cc1ccccc1)N1CCC(CC1)c1cc(n[nH]1)C1CCCCC1 Show InChI InChI=1S/C22H31N3/c1-3-7-18(8-4-1)11-14-25-15-12-20(13-16-25)22-17-21(23-24-22)19-9-5-2-6-10-19/h1,3-4,7-8,17,19-20H,2,5-6,9-16H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50001884 (2-[4-(4-Methyl-benzyl)-piperazin-1-yl]-1-(2-methyl...) Show SMILES CN1CCN(CC1)C1=Nc2cc(Cl)ccc2Nc2ccccc12 |t:8| Show InChI InChI=1S/C18H19ClN4/c1-22-8-10-23(11-9-22)18-14-4-2-3-5-15(14)20-16-7-6-13(19)12-17(16)21-18/h2-7,12,20H,8-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	DrugBank Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059227 (1-Benzyl-4-(5-phenyl-1H-pyrazol-3-yl)-piperidine |...) Show SMILES C(N1CCC(CC1)c1cc(n[nH]1)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C21H23N3/c1-3-7-17(8-4-1)16-24-13-11-19(12-14-24)21-15-20(22-23-21)18-9-5-2-6-10-18/h1-10,15,19H,11-14,16H2,(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112219 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-3-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2ccsc2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-7-10-23-11-8-16)19(15-3-5-18(26-2)6-4-15)13-20(22(24)25)17-9-12-27-14-17/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50454602 (CHEMBL2112285) Show SMILES O\C(=C/C(=O)C1CCN(Cc2ccccc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H22ClNO2/c22-19-8-6-17(7-9-19)20(24)14-21(25)18-10-12-23(13-11-18)15-16-4-2-1-3-5-16/h1-9,14,18,24H,10-13,15H2/b20-14-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50000766 (CHEMBL12 | DIAZEPAM | US9271961, Diazepam) Show SMILES CN1c2ccc(Cl)cc2C(=NCC1=O)c1ccccc1 |c:10| Show InChI InChI=1S/C16H13ClN2O/c1-19-14-8-7-12(17)9-13(14)16(18-10-15(19)20)11-5-3-2-4-6-11/h2-9H,10H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-1-beta-2-gamma-2 expr...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112223 (5-(4-Cyclopropyl-thiazol-2-yl)-3-(4-methoxy-phenyl...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(cs2)C2CC2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C24H21N3O2S/c1-27-22(17-9-11-25-12-10-17)19(15-5-7-18(29-2)8-6-15)13-20(24(27)28)23-26-21(14-30-23)16-3-4-16/h5-14,16H,3-4H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112218 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1cccnc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-11-18(15-6-8-17(27-3)9-7-15)20(25(2)22(19)26)16-5-4-10-23-12-16/h4-13H,1-3H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50059242 (4-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-1-cyclohex...) Show SMILES Clc1ccc(cc1)-c1cc([nH]n1)C1CCN(CC2CCCCC2)CC1 Show InChI InChI=1S/C21H28ClN3/c22-19-8-6-17(7-9-19)20-14-21(24-23-20)18-10-12-25(13-11-18)15-16-4-2-1-3-5-16/h6-9,14,16,18H,1-5,10-13,15H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Curated by ChEMBL					Assay Description Ability to displace [3H]-spiperone from human dopamine receptor D4 (hD4) receptor stably expressed in HEK-293 cells.				J Med Chem 40: 2374-85 (1997) Article DOI: 10.1021/jm970111h BindingDB Entry DOI: 10.7270/Q2PN94R9
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112224 (3-(4-Fluoro-phenyl)-1-methyl-5-(4-methyl-thiazol-2...) Show SMILES Cc1csc(n1)-c1cc(-c2ccc(F)cc2)c(-c2ccncc2)n(C)c1=O Show InChI InChI=1S/C21H16FN3OS/c1-13-12-27-20(24-13)18-11-17(14-3-5-16(22)6-4-14)19(25(2)21(18)26)15-7-9-23-10-8-15/h3-12H,1-2H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50089768 (1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperidine-3-ca...) Show SMILES CN(Cc1ccccc1)C(=O)C1CCCN(C1)C(=O)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C24H25N3O3/c1-26(15-17-8-3-2-4-9-17)23(29)18-10-7-13-27(16-18)24(30)22(28)20-14-25-21-12-6-5-11-19(20)21/h2-6,8-9,11-12,14,18,25H,7,10,13,15-16H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50089762 ((3S,5R)-1-[2-(1H-Indol-3-yl)-2-oxo-acetyl]-piperid...) Show SMILES CCOC(=O)[C@H]1C[C@H](CN(C1)C(=O)C(=O)c1c[nH]c2ccccc12)C(=O)OCC Show InChI InChI=1S/C21H24N2O6/c1-3-28-20(26)13-9-14(21(27)29-4-2)12-23(11-13)19(25)18(24)16-10-22-17-8-6-5-7-15(16)17/h5-8,10,13-14,22H,3-4,9,11-12H2,1-2H3/t13-,14+	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]-Ro-15-1788 from recombinant human Gamma-aminobutyric acid A receptor alpha-2-beta-3-gamma-2 ex...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112231 (3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[...) Show SMILES COc1ccc(cc1)-c1cc(-c2cccs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H18N2O2S/c1-24-21(16-9-11-23-12-10-16)18(15-5-7-17(26-2)8-6-15)14-19(22(24)25)20-4-3-13-27-20/h3-14H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity by displacement of [3H]-Ro-15-1788 from recombinant human gamma-aminobutyric-acid A receptor alpha3,beta3,gamma2 stably expressed in...				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112233 (3-(4-Methoxy-phenyl)-1-methyl-5-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccncc1 Show InChI InChI=1S/C22H19N3O2S/c1-14-13-28-21(24-14)19-12-18(15-4-6-17(27-3)7-5-15)20(25(2)22(19)26)16-8-10-23-11-9-16/h4-13H,1-3H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50112232 (5-(4-Methoxy-phenyl)-1-methyl-3-(4-methyl-thiazol-...) Show SMILES COc1ccc(cc1)-c1cc(-c2nc(C)cs2)c(=O)n(C)c1-c1ccnnc1 Show InChI InChI=1S/C21H18N4O2S/c1-13-12-28-20(24-13)18-10-17(14-4-6-16(27-3)7-5-14)19(25(2)21(18)26)15-8-9-22-23-11-15/h4-12H,1-3H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human GABA A receptor (alpha1-beta3-gamma2) stably expressed in L(tk-) cells.				J Med Chem 45: 1887-900 (2002) BindingDB Entry DOI: 10.7270/Q2KP81HZ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50089770 (1-(1,3-Dihydro-isoindol-2-yl)-2-(1H-indol-3-yl)-et...) Show SMILES O=C(N1Cc2ccccc2C1)C(=O)c1c[nH]c2ccccc12 Show InChI InChI=1S/C18H14N2O2/c21-17(15-9-19-16-8-4-3-7-14(15)16)18(22)20-10-12-5-1-2-6-13(12)11-20/h1-9,19H,10-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity evaluated by ability to displace [3H]Ro-151788 from recombinant human Gamma-aminobutyric acid A receptor alpha-3-beta-3-gamma-2 expr...				Bioorg Med Chem Lett 10: 1381-4 (2000) BindingDB Entry DOI: 10.7270/Q2KD1X5T
					More data for this Ligand-Target Pair

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