Compile Data Set for Download or QSAR

Found 867 hits with Last Name = 'reeve' and Initial = 'aj'   

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-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149423 (5,6-dimethyl-2-pyridyl[6-(3-methyl-1,2,4-oxadiazol...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccc(C)c(C)n3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;2.46,-8.83,;3.79,-6.51,;5.12,-7.26,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H23N7O2/c1-11-4-9-16(23-12(11)2)10-30-21-18-15-7-5-14(6-8-15)17(18)19-25-26-20(29(19)27-21)22-24-13(3)28-31-22/h4,9,14-15H,5-8,10H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149428 (2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.440	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50067424 ((S)-9-Methoxy-7-oxo-3b,4,5,6-tetrahydro-7H-2,6a,11...) Show SMILES CCOC(=O)c1ncn-2c1[C@@H]1CCCN1C(=O)c1cc(OC)ccc-21 Show InChI InChI=1S/C18H19N3O4/c1-3-25-18(23)15-16-14-5-4-8-20(14)17(22)12-9-11(24-2)6-7-13(12)21(16)10-19-15/h6-7,9-10,14H,3-5,8H2,1-2H3/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1 Show InChI InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	0.5	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 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110705 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-pyridin...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1ccccn1 Show InChI InChI=1S/C17H19NO2S2/c1-17(2)9-11-14(13(20)10-17)16(21-8-7-19)22-15(11)12-5-3-4-6-18-12/h3-6,19H,7-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	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 to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144858 (3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144858 (3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144856 (3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.640	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144858 (3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149416 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro-15-1788 binding to human alpha5-beta3-gamma2 GABA-A receptor expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149414 (3-methyl-5-[9-(2-pyridylmethoxy)-4,5,7,8-tetraazat...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-12-5-7-13(8-6-12)16(15)19(25-27(17)18)28-10-14-4-2-3-9-21-14/h2-4,9,12-13H,5-8,10H2,1H3	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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144856 (3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144856 (3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144858 (3-(5-Methyl-isoxazol-3-yl)-6-(1-methyl-1H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cn(C)nn3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(22-27-10)16-20-19-15-12-5-3-4-6-13(12)17(21-25(15)16)26-9-11-8-24(2)23-18-11/h3-8H,9H2,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.880	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149426 (3-isoquinolyl[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cc4ccccc4cn3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.42,;1.41,4.26,;1.08,2.74,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;3.78,-4.98,;3.79,-6.51,;5.12,-7.26,;5.14,-8.8,;3.8,-9.59,;2.46,-8.83,;2.46,-7.29,;1.1,-6.52,;1.1,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C24H21N7O2/c1-13-26-24(33-30-13)22-28-27-21-19-14-6-8-15(9-7-14)20(19)23(29-31(21)22)32-12-18-10-16-4-2-3-5-17(16)11-25-18/h2-5,10-11,14-15H,6-9,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149412 (3-methyl-5-[9-(3-pyridylmethoxy)-4,5,7,8-tetraazat...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccnc3)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.09,1.52,;-1.3,.72,;-1.59,-.37,;-2.92,.4,;-2.92,1.94,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C20H19N7O2/c1-11-22-20(29-26-11)18-24-23-17-15-13-4-6-14(7-5-13)16(15)19(25-27(17)18)28-10-12-3-2-8-21-9-12/h2-3,8-9,13-14H,4-7,10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.960	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	PDB KEGG 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149420 (2-bromobenzyl 6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3Br)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.11,-4.2,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C21H19BrN6O2/c1-11-23-21(30-27-11)19-25-24-18-16-12-6-8-13(9-7-12)17(16)20(26-28(18)19)29-10-14-4-2-3-5-15(14)22/h2-5,12-13H,6-10H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha5-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha3-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50143105 (6-(6-Methyl-pyridin-2-ylmethoxy)-3-phenyl-[1,2,4]t...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3ccccc23)-c2ccccc2)n1 Show InChI InChI=1S/C22H17N5O/c1-15-8-7-11-17(23-15)14-28-22-19-13-6-5-12-18(19)21-25-24-20(27(21)26-22)16-9-3-2-4-10-16/h2-13H,14H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144856 (3-(5-Methyl-isoxazol-3-yl)-6-(2-methyl-2H-[1,2,3]t...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cnn(C)n3)nn12 Show InChI InChI=1S/C17H14N8O2/c1-10-7-14(23-27-10)16-20-19-15-12-5-3-4-6-13(12)17(22-25(15)16)26-9-11-8-18-24(2)21-11/h3-8H,9H2,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha1-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110708 (6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-yldi...) Show SMILES CC1(C)Cc2c(sc(SSc3nccs3)c2C(=O)C1)-c1ccn[nH]1 Show InChI InChI=1S/C16H15N3OS4/c1-16(2)7-9-12(11(20)8-16)14(23-24-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem	PubMed	1.40	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 Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144865 (3-methyl-5-[9-(6-methyl-2-pyridylmethoxy)-4,5,7,8-...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3cccc(C)n3)nn12 |(6.84,-9.64,;5.81,-8.5,;6.12,-6.98,;4.79,-6.23,;3.65,-7.26,;4.28,-8.66,;2.13,-6.94,;1.5,-5.54,;-.02,-5.7,;-.34,-7.22,;-1.67,-7.99,;-3,-7.22,;-3.78,-8.55,;-2.24,-8.96,;-3,-10.3,;-4.33,-9.53,;-4.33,-7.99,;-1.67,-9.53,;-.34,-10.3,;-.34,-11.84,;.99,-12.61,;.99,-14.15,;-.34,-14.91,;-.34,-16.45,;.99,-17.22,;2.32,-16.43,;3.66,-17.2,;2.32,-14.91,;.99,-9.53,;.99,-7.99,)| Show InChI InChI=1S/C21H21N7O2/c1-11-4-3-5-15(22-11)10-29-20-17-14-8-6-13(7-9-14)16(17)18-24-25-19(28(18)26-20)21-23-12(2)27-30-21/h3-5,13-14H,6-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50128245 (6,6-Dimethyl-1-(1H-pyrazol-3-yl)-3-(thiazol-2-ylsu...) Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1ccn[nH]1 Show InChI InChI=1S/C16H15N3OS3/c1-16(2)7-9-12(11(20)8-16)14(23-15-17-5-6-21-15)22-13(9)10-3-4-18-19-10/h3-6H,7-8H2,1-2H3,(H,18,19)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.40	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 to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha1-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50128250 (6,6-Dimethyl-1-thiazol-2-yl-3-(thiazol-2-ylsulfany...) Show SMILES CC1(C)Cc2c(sc(Sc3nccs3)c2C(=O)C1)-c1nccs1 Show InChI InChI=1S/C16H14N2OS4/c1-16(2)7-9-11(10(19)8-16)14(23-15-18-4-6-21-15)22-12(9)13-17-3-5-20-13/h3-6H,7-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	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 to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144861 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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 Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110704 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-thiazol...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1 Show InChI InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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 & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110713 (3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...) Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia 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 & Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149416 (3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...) Show SMILES Cc1cc(no1)-c1nnc2c3CCCCc3c(OCc3ccccn3)nn12 Show InChI InChI=1S/C19H18N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h4-6,9-10H,2-3,7-8,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110704 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-thiazol...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1nccs1 Show InChI InChI=1S/C15H17NO2S3/c1-15(2)7-9-11(10(18)8-15)14(20-6-4-17)21-12(9)13-16-3-5-19-13/h3,5,17H,4,6-8H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	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 Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110713 (3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...) Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	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 Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha2-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50144860 (3-(5-Methyl-isoxazol-3-yl)-6-(6-methyl-pyridin-2-y...) Show SMILES Cc1cc(no1)-c1nnc2c3ccccc3c(OCc3cccc(C)n3)nn12 Show InChI InChI=1S/C20H16N6O2/c1-12-6-5-7-14(21-12)11-27-20-16-9-4-3-8-15(16)18-22-23-19(26(18)24-20)17-10-13(2)28-25-17/h3-10H,11H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia 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 and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]-Ro- 15-1788 from human GABA-A alpha2-beta3-gamma2 receptor subunits expressed in Xenopus oocytes				J Med Chem 47: 2176-9 (2004) Article DOI: 10.1021/jm031076j BindingDB Entry DOI: 10.7270/Q2ST7P90
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110706 (6,6-Dimethyl-3-methylsulfanyl-1-pyridin-2-yl-6,7-d...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccccn1 Show InChI InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.70	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 Displacement of [3H]- Ro 15-1788 binding from human GABA-A receptor alpha5-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149428 (2-[6-(3-methyl-1,2,4-oxadiazol-5-yl)-4,5,7,8-tetra...) Show SMILES Cc1noc(n1)-c1nnc2c3C4CCC(CC4)c3c(OCc3ccccc3C#N)nn12 |(8.97,3.57,;7.56,2.94,;7.24,1.44,;5.7,1.28,;5.07,2.68,;6.21,3.71,;3.58,3,;2.95,4.43,;1.41,4.26,;1.08,2.75,;-.25,1.95,;-1.59,2.72,;-2.92,1.94,;-2.92,.4,;-1.59,-.37,;-1.3,.72,;-2.09,1.52,;-.25,.39,;1.1,-.37,;1.1,-1.9,;2.43,-2.67,;2.43,-4.21,;1.1,-4.98,;1.1,-6.52,;2.45,-7.29,;3.79,-6.51,;3.78,-4.98,;5.09,-4.18,;6.42,-3.41,;2.43,.41,;2.43,1.96,)| Show InChI InChI=1S/C22H19N7O2/c1-12-24-22(31-28-12)20-26-25-19-17-13-6-8-14(9-7-13)18(17)21(27-29(19)20)30-11-16-5-3-2-4-15(16)10-23/h2-5,13-14H,6-9,11H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human gamma-aminobutyric-acid A receptor alpha3-beta3-gamma2 using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110706 (6,6-Dimethyl-3-methylsulfanyl-1-pyridin-2-yl-6,7-d...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccccn1 Show InChI InChI=1S/C16H17NOS2/c1-16(2)8-10-13(12(18)9-16)15(19-3)20-14(10)11-6-4-5-7-17-11/h4-7H,8-9H2,1-3H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.70	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 to human GABA A alpha5-beta3-gamma2 receptor,using a [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50149418 (6-methyl-2-pyridyl[6-(2-pyrazinyl)-4,5,7,8-tetraaz...) Show SMILES Cc1cccc(COc2nn3c(nnc3c3C4CCC(CC4)c23)-c2cnccn2)n1 |(2.03,-7.1,;.68,-6.35,;-.65,-7.12,;-1.98,-6.35,;-1.98,-4.81,;-.65,-4.04,;-.65,-2.5,;-2,-1.73,;-2,-.21,;-.65,.58,;-.67,2.12,;.49,3.17,;-.16,4.59,;-1.7,4.43,;-2.02,2.91,;-3.35,2.12,;-4.68,2.89,;-5.2,1.68,;-4.39,.88,;-4.68,-.21,;-6.01,.56,;-6.01,2.1,;-3.34,.55,;1.98,2.85,;2.45,1.39,;3.94,1.07,;4.97,2.22,;4.49,3.68,;2.99,3.98,;.68,-4.81,)| Show InChI InChI=1S/C22H21N7O/c1-13-3-2-4-16(25-13)12-30-22-19-15-7-5-14(6-8-15)18(19)21-27-26-20(29(21)28-22)17-11-23-9-10-24-17/h2-4,9-11,14-15H,5-8,12H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards human alpha5-beta3-gamma2 GABA-A receptor using [3H]-Ro-15-1788 expressed in L(tk-) cells				J Med Chem 47: 3642-57 (2004) Article DOI: 10.1021/jm0407613 BindingDB Entry DOI: 10.7270/Q2RB7423
					More data for this Ligand-Target Pair

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