Compile Data Set for Download or QSAR

Found 31 hits Enz. Inhib. hit(s) with all data for entry = 50014851   

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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148325 (2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26| Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148320 (2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148330 (2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.290	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148323 (2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...) Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.310	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148331 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148324 (2-(4-Chloro-phenyl)-2,5a,6,7,8,8a-hexahydro-5H-cyc...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCC3N=Cc2c1=O |c:17| Show InChI InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,18H,1-3H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.440	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148327 (2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(CC4CC4)CCC3N=Cc2c1=O |c:23| Show InChI InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,22H,1-2,7-8,10-11H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148325 (2-(4-Chloro-phenyl)-8-pyridin-4-ylmethyl-2,5,5a,6,...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(Cc4ccncc4)CCC3N=Cc2c1=O |c:26| Show InChI InChI=1S/C21H20ClN5O/c22-15-1-3-16(4-2-15)27-21(28)17-11-24-19-7-10-26(13-18(19)20(17)25-27)12-14-5-8-23-9-6-14/h1-6,8-9,11,18-19,25H,7,10,12-13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.560	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148317 (2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccccn1 Show InChI InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,18H,1-2,5-6H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.570	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148323 (2-(4-Methoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...) Show SMILES COc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H17N3O2/c1-22-12-8-6-11(7-9-12)20-17(21)14-10-18-15-5-3-2-4-13(15)16(14)19-20/h6-10,19H,2-5H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.610	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148330 (2-(4-Fluoro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Fc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14FN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148320 (2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.770	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148331 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3CSCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O2S/c17-16(18)23-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-24-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.890	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 In vitro displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha2-beta3-gamma2 subunits expressed in L(tk-) cells				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148320 (2-(4-Chloro-phenyl)-2,5,6,7,8,9-hexahydro-pyrazolo...) Show SMILES Clc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C16H14ClN3O/c17-10-5-7-11(8-6-10)20-16(21)13-9-18-14-4-2-1-3-12(14)15(13)19-20/h5-9,19H,1-4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia 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 & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148322 (2-(4-Difluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydro...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,21H,1-4H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148321 (2-(4-Chloro-phenyl)-2,5a,6,7,8,9,10,10a-octahydro-...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCCCC3N=Cc2c1=O |c:19| Show InChI InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,20H,1-5H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148317 (2-(4-Hydroxy-phenyl)-2,5,6,7,8,9-hexahydro-pyrazol...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccccn1 Show InChI InChI=1S/C15H14N4O/c20-15-11-9-17-12-6-2-1-5-10(12)14(11)18-19(15)13-7-3-4-8-16-13/h3-4,7-9,18H,1-2,5-6H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article 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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148328 (2-(4-Cyclopropoxy-phenyl)-2,5,6,7,8,9-hexahydro-py...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,21H,1-4,9-10H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148324 (2-(4-Chloro-phenyl)-2,5a,6,7,8,8a-hexahydro-5H-cyc...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCC3N=Cc2c1=O |c:17| Show InChI InChI=1S/C15H14ClN3O/c16-9-4-6-10(7-5-9)19-15(20)12-8-17-13-3-1-2-11(13)14(12)18-19/h4-8,11,13,18H,1-3H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148319 (2-(4-Cyclobutoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyr...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CCC2)cc1 Show InChI InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,22H,1-7H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148318 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148328 (2-(4-Cyclopropoxy-phenyl)-2,5,6,7,8,9-hexahydro-py...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CC2)cc1 Show InChI InChI=1S/C19H19N3O2/c23-19-16-11-20-17-4-2-1-3-15(17)18(16)21-22(19)12-5-7-13(8-6-12)24-14-9-10-14/h5-8,11,14,21H,1-4,9-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148322 (2-(4-Difluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydro...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H15F2N3O2/c18-17(19)24-11-7-5-10(6-8-11)22-16(23)13-9-20-14-4-2-1-3-12(14)15(13)21-22/h5-9,17,21H,1-4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148319 (2-(4-Cyclobutoxy-phenyl)-2,5,6,7,8,9-hexahydro-pyr...) Show SMILES O=c1n([nH]c2c3CCCCc3ncc12)-c1ccc(OC2CCC2)cc1 Show InChI InChI=1S/C20H21N3O2/c24-20-17-12-21-18-7-2-1-6-16(18)19(17)22-23(20)13-8-10-15(11-9-13)25-14-4-3-5-14/h8-12,14,22H,1-7H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	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 In vitro displacement of [3H]-Ro-15-1788 from human GABA-A receptor alpha3-beta3-gamma2 subunits expressed in L(tk-) cells				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148329 (2-(4-Chloro-phenyl)-8-(pyridine-3-carbonyl)-2,5,5a...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(CCC3N=Cc2c1=O)C(=O)Cc1cccnc1 |c:18| Show InChI InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,26H,7,9-10,13H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148321 (2-(4-Chloro-phenyl)-2,5a,6,7,8,9,10,10a-octahydro-...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CCCCCC3N=Cc2c1=O |c:19| Show InChI InChI=1S/C17H18ClN3O/c18-11-6-8-12(9-7-11)21-17(22)14-10-19-15-5-3-1-2-4-13(15)16(14)20-21/h6-10,13,15,20H,1-5H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.30	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148326 (2-(4-Trifluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydr...) Show SMILES FC(F)(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,22H,1-4H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148329 (2-(4-Chloro-phenyl)-8-(pyridine-3-carbonyl)-2,5,5a...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(CCC3N=Cc2c1=O)C(=O)Cc1cccnc1 |c:18| Show InChI InChI=1S/C22H20ClN5O2/c23-15-3-5-16(6-4-15)28-22(30)17-12-25-19-7-9-27(13-18(19)21(17)26-28)20(29)10-14-2-1-8-24-11-14/h1-6,8,11-12,18-19,26H,7,9-10,13H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.40	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148318 (2-(4-Difluoromethoxy-phenyl)-5,5a,6,7,9,9a-hexahyd...) Show SMILES FC(F)Oc1ccc(cc1)-n1[nH]c2C3COCCC3N=Cc2c1=O |c:21| Show InChI InChI=1S/C16H15F2N3O3/c17-16(18)24-10-3-1-9(2-4-10)21-15(22)11-7-19-13-5-6-23-8-12(13)14(11)20-21/h1-4,7,12-13,16,20H,5-6,8H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	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 In vitro binding affinity against gamma-aminobutyric acid A receptor, alpha 1 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148326 (2-(4-Trifluoromethoxy-phenyl)-2,5,6,7,8,9-hexahydr...) Show SMILES FC(F)(F)Oc1ccc(cc1)-n1[nH]c2c3CCCCc3ncc2c1=O Show InChI InChI=1S/C17H14F3N3O2/c18-17(19,20)25-11-7-5-10(6-8-11)23-16(24)13-9-21-14-4-2-1-3-12(14)15(13)22-23/h5-9,22H,1-4H2	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article 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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50148327 (2-(4-Chloro-phenyl)-8-cyclopropylmethyl-2,5,5a,6,7...) Show SMILES Clc1ccc(cc1)-n1[nH]c2C3CN(CC4CC4)CCC3N=Cc2c1=O |c:23| Show InChI InChI=1S/C19H21ClN4O/c20-13-3-5-14(6-4-13)24-19(25)15-9-21-17-7-8-23(10-12-1-2-12)11-16(17)18(15)22-24/h3-6,9,12,16-17,22H,1-2,7-8,10-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	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 In vitro binding affinity against Gamma-aminobutyric acid A receptor, alpha 3 expressed in L(tk) cells by displacement of [3H]-Ro-15-1788				Bioorg Med Chem Lett 14: 3441-4 (2004) Article DOI: 10.1016/j.bmcl.2004.04.085 BindingDB Entry DOI: 10.7270/Q2NP23VM
					More data for this Ligand-Target Pair