Compile Data Set for Download or QSAR

Found 24 hits Enz. Inhib. hit(s) with all data for entry = 50032634   

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
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332377 (9-Amino-2-cyclobutyl-5-(pyrimidin-5-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1 Show InChI InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-10,12,23H,1,3-4,20H2	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
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332378 (4-Amino-7-fluoro-N-propyl-8-(pyrimidin-2-yl)cinnol...) Show SMILES CCCNC(=O)c1nnc2c(c(F)ccc2c1N)-c1ncccn1 Show InChI InChI=1S/C16H15FN6O/c1-2-6-21-16(24)14-12(18)9-4-5-10(17)11(13(9)22-23-14)15-19-7-3-8-20-15/h3-5,7-8H,2,6H2,1H3,(H2,18,22)(H,21,24)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332374 (9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1 Show InChI InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-11,23H,1,4-5,20H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332377 (9-Amino-2-cyclobutyl-5-(pyrimidin-5-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1cncnc1 Show InChI InChI=1S/C19H17N5O/c20-17-14-6-2-5-13(11-7-21-10-22-8-11)18(14)23-15-9-24(12-3-1-4-12)19(25)16(15)17/h2,5-10,12,23H,1,3-4,20H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia 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
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha5beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332374 (9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1 Show InChI InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-11,23H,1,4-5,20H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha5beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332376 (4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-car...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1ncccn1 Show InChI InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Displacement of [3H]flunitrazepam from human alpha2beta3gamma2 GABA receptor in Sf9 membranes after 1 hr by liquid scintillation counting				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	54	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332374 (9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1 Show InChI InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-11,23H,1,4-5,20H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	34	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					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 Article PubMed	n/a	n/a	n/a	n/a	85	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/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	Article PubMed	n/a	n/a	n/a	n/a	9	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	389	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha1beta2gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/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 Article PubMed	n/a	n/a	n/a	n/a	45	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332376 (4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-car...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1ncccn1 Show InChI InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.13E+3	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	455	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/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 UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	131	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair				3D Structure (crystal)
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332374 (9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1 Show InChI InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-11,23H,1,4-5,20H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	206	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha5beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332376 (4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-car...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1ncccn1 Show InChI InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	104	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					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	Article PubMed	n/a	n/a	n/a	n/a	14	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332376 (4-Amino-N-propyl-8-(pyrimidin-2-yl)cinnoline-3-car...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1ncccn1 Show InChI InChI=1S/C16H16N6O/c1-2-7-20-16(23)14-12(17)10-5-3-6-11(13(10)21-22-14)15-18-8-4-9-19-15/h3-6,8-9H,2,7H2,1H3,(H2,17,21)(H,20,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	379	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332375 (4-Amino-8-(5-(azetidine-1-carbonyl)pyridin-3-yl)-N...) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cncc(c1)C(=O)N1CCC1 Show InChI InChI=1S/C21H22N6O2/c1-2-7-24-20(28)19-17(22)16-6-3-5-15(18(16)25-26-19)13-10-14(12-23-11-13)21(29)27-8-4-9-27/h3,5-6,10-12H,2,4,7-9H2,1H3,(H2,22,25)(H,24,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	n/a	n/a	174	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50332374 (9-Amino-2-cyclobutyl-5-(pyrimidin-2-yl)-2,3-dihydr...) Show SMILES Nc1c2c(cn(C3CCC3)c2=O)[nH]c2c(cccc12)-c1ncccn1 Show InChI InChI=1S/C19H17N5O/c20-16-12-6-2-7-13(18-21-8-3-9-22-18)17(12)23-14-10-24(11-4-1-5-11)19(25)15(14)16/h2-3,6-11,23H,1,4-5,20H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	77	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					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	Article PubMed	n/a	n/a	n/a	n/a	10	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha3beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					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 Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
AstraZeneca Pharmaceuticals Curated by ChEMBL					Assay Description Binding affinity to human alpha2beta3gamma2 GABA receptor expressed in Xenopus laevis oocytes				Bioorg Med Chem 18: 8374-82 (2010) Article DOI: 10.1016/j.bmc.2010.09.058 BindingDB Entry DOI: 10.7270/Q2FB536X
					More data for this Ligand-Target Pair				3D Structure (crystal)