Compile Data Set for Download or QSAR

Found 43 hits of ic50 data for polymerid = 49000543,50001801,5521   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337263 (3-(2-chlorobenzyloxy)-2-(2-fluorophenyl)-2H-pyrazo...) Show SMILES Fc1ccccc1-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15ClFN3O/c24-18-9-3-1-7-15(18)14-29-23-17-13-26-20-11-5-2-8-16(20)22(17)27-28(23)21-12-6-4-10-19(21)25/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM84957 (CGS 9896 | CHEMBL20042) Show SMILES Clc1ccc(cc1)-n1[nH]c2c(cnc3ccccc23)c1=O Show InChI InChI=1S/C16H10ClN3O/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/h1-9,19H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98558 (US8492408, 7a) Show SMILES COc1ncccc1-c1cc(ccn1)-n1cnc2cc(ccc12)C(C)(C)O Show InChI InChI=1S/C21H20N4O2/c1-21(2,26)14-6-7-19-18(11-14)24-13-25(19)15-8-10-22-17(12-15)16-5-4-9-23-20(16)27-3/h4-13,26H,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013) BindingDB Entry DOI: 10.7270/Q28K77QX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98560 (US8492408, 7c) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H17FN4O/c1-20(2,26)13-3-4-19-18(9-13)24-12-25(19)14-5-8-23-17(10-14)15-6-7-22-11-16(15)21/h3-12,26H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013) BindingDB Entry DOI: 10.7270/Q28K77QX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of [3H]-Flumazenil binding to recombinant GABA-A receptor alpha-1 subunit in cerebellum				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98561 (US8492408, 7d) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1ccncc1C#N Show InChI InChI=1S/C21H17N5O/c1-21(2,27)15-3-4-20-19(9-15)25-13-26(20)16-5-8-24-18(10-16)17-6-7-23-12-14(17)11-22/h3-10,12-13,27H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013) BindingDB Entry DOI: 10.7270/Q28K77QX
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106148 (5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...) Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001) Article DOI: 10.1016/s0960-894x(01)00604-7 BindingDB Entry DOI: 10.7270/Q2KS6QTJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50106149 (1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...) Show SMILES Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001) Article DOI: 10.1016/s0960-894x(01)00604-7 BindingDB Entry DOI: 10.7270/Q2KS6QTJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3 (Homo sapiens)	BDBM50106148 (5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]...) Show SMILES Nc1c(c(nn1-c1c(Cl)cc(cc1Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F Show InChI InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to drosophila GABA-A receptor (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001) Article DOI: 10.1016/s0960-894x(01)00604-7 BindingDB Entry DOI: 10.7270/Q2KS6QTJ
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3 (Homo sapiens)	BDBM50106149 (1-(2,6-Dichloro-4-trifluoromethyl-phenyl)-4-(3-tri...) Show SMILES Show InChI InChI=1S/C12H4Cl2F6N4/c13-7-1-5(11(15,16)17)2-8(14)9(7)24-4-6(3-21-24)10(22-23-10)12(18,19)20/h1-4H	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of [3H]-EBOB binding to human GABA-A receptor beta3 subunit (range 1-28)				Bioorg Med Chem Lett 11: 2979-81 (2001) Article DOI: 10.1016/s0960-894x(01)00604-7 BindingDB Entry DOI: 10.7270/Q2KS6QTJ
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM98559 (US8492408, 7b) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1ccnc(c1)-c1cccnc1Cl Show InChI InChI=1S/C20H17ClN4O/c1-20(2,26)13-5-6-18-17(10-13)24-12-25(18)14-7-9-22-16(11-14)15-4-3-8-23-19(15)21/h3-12,26H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Aniona APS US Patent					Assay Description In vitro inhibition assay using GABA receptor.				US Patent US8492408 (2013) BindingDB Entry DOI: 10.7270/Q28K77QX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337265 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C23H19Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337271 (2-(4-chlorophenyl)-3-(4-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-7-11-18(12-8-16)28-23(29-14-15-5-9-17(25)10-6-15)20-13-26-21-4-2-1-3-19(21)22(20)27-28/h5-13H,1-4,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337264 (2-(benzo[d][1,3]dioxol-5-yl)-3-(2-chlorobenzyloxy)...) Show SMILES Clc1ccccc1COc1n(nc2c1cnc1ccccc21)-c1ccc2OCOc2c1 Show InChI InChI=1S/C24H16ClN3O3/c25-19-7-3-1-5-15(19)13-29-24-18-12-26-20-8-4-2-6-17(20)23(18)27-28(24)16-9-10-21-22(11-16)31-14-30-21/h1-12H,13-14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337270 (2-(4-chlorophenyl)-3-(2-fluorobenzyloxy)-6,7,8,9-t...) Show SMILES Fc1ccccc1COc1n(nc2c3CCCCc3ncc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H19ClFN3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1,3,5,7,9-13H,2,4,6,8,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337274 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2H-pyrazo...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCc1ccccc1Cl Show InChI InChI=1S/C23H15Cl2N3O/c24-16-9-11-17(12-10-16)28-23(29-14-15-5-1-3-7-20(15)25)19-13-26-21-8-4-2-6-18(21)22(19)27-28/h1-13H,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337268 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-8,8-dimet...) Show SMILES CC1(C)CCc2ncc3c(OCc4ccccc4Cl)n(nc3c2C1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H23Cl2N3O/c1-25(2)12-11-22-19(13-25)23-20(14-28-22)24(31-15-16-5-3-4-6-21(16)27)30(29-23)18-9-7-17(26)8-10-18/h3-10,14H,11-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337272 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-2H-pyraz...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccccc23)c1OCC1CC1 Show InChI InChI=1S/C20H16ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h1-4,7-11,13H,5-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	74	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337275 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-6,7,8,9-...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1OCC1CC1 Show InChI InChI=1S/C20H20ClN3O/c21-14-7-9-15(10-8-14)24-20(25-12-13-5-6-13)17-11-22-18-4-2-1-3-16(18)19(17)23-24/h7-11,13H,1-6,12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	94	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/ beta-1 (Homo sapiens (Human))	BDBM26266 (Ambien | CHEMBL911 | Dalparan | N,N-dimethyl-2-[6-...) Show SMILES CN(C)C(=O)Cc1c(nc2ccc(C)cn12)-c1ccc(C)cc1 Show InChI InChI=1S/C19H21N3O/c1-13-5-8-15(9-6-13)19-16(11-18(23)21(3)4)22-12-14(2)7-10-17(22)20-19/h5-10,12H,11H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was evaluated for in vitro functional inhibitory potency for prevention of sarafotoxin S6c induced constriction of rat tracheal rings (ETB r...				Bioorg Med Chem Lett 7: 2277-2282 (1997) Article DOI: 10.1016/S0960-894X(97)00404-6 BindingDB Entry DOI: 10.7270/Q2BK1CB0
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337277 (2-(4-chlorophenyl)-3-(cyclopropylmethoxy)-8-(1H-im...) Show SMILES Clc1ccc(cc1)-n1nc2c(cnc3ccc(cc23)-n2ccnc2)c1OCC1CC1 Show InChI InChI=1S/C23H18ClN5O/c24-16-3-5-17(6-4-16)29-23(30-13-15-1-2-15)20-12-26-21-8-7-18(28-10-9-25-14-28)11-19(21)22(20)27-29/h3-12,14-15H,1-2,13H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	134	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50097413 (CHEMBL3586473) Show SMILES COc1cccc(F)c1C1=NCc2cnc(Nc3ccc(cc3)C(O)=O)nc2-c2ccc(Cl)cc12 Show InChI InChI=1S/C26H18ClFN4O3/c1-35-21-4-2-3-20(28)22(21)24-19-11-16(27)7-10-18(19)23-15(12-29-24)13-30-26(32-23)31-17-8-5-14(6-9-17)25(33)34/h2-11,13H,12H2,1H3,(H,33,34)(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337269 (3-(4-chlorobenzyloxy)-2-(4-chlorophenyl)-6,7,8,9-t...) Show SMILES Clc1ccc(COc2n(nc3c4CCCCc4ncc23)-c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C23H19Cl2N3O/c24-16-7-5-15(6-8-16)14-29-23-20-13-26-21-4-2-1-3-19(21)22(20)27-28(23)18-11-9-17(25)10-12-18/h5-13H,1-4,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337266 (3-(2-chlorobenzyloxy)-2-(4-chlorophenyl)-2,6,7,8,9...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCCc3ncc2c1OCc1ccccc1Cl Show InChI InChI=1S/C24H21Cl2N3O/c25-17-10-12-18(13-11-17)29-24(30-15-16-6-4-5-8-21(16)26)20-14-27-22-9-3-1-2-7-19(22)23(20)28-29/h4-6,8,10-14H,1-3,7,9,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	242	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM31093 (4-[[7-[2,6-bis(fluoranyl)phenyl]-9-chloranyl-5H-py...) Show SMILES OC(=O)c1ccc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2F)cc1 Show InChI InChI=1S/C25H15ClF2N4O2/c26-15-6-9-17-18(10-15)23(21-19(27)2-1-3-20(21)28)29-11-14-12-30-25(32-22(14)17)31-16-7-4-13(5-8-16)24(33)34/h1-10,12H,11H2,(H,33,34)(H,30,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244157 (CHEMBL458317 | N-(4-chlorophenyl)-5-(2-(methylthio...) Show SMILES CSc1nccc(n1)-c1ccc(s1)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C15H12ClN3O2S3/c1-22-15-17-9-8-12(18-15)13-6-7-14(23-13)24(20,21)19-11-4-2-10(16)3-5-11/h2-9,19H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	470	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50277545 (4-(9-chloro-7-(2-fluoro-6-methoxyphenyl)-5H-benzo[...) Show SMILES COc1cc(Nc2ncc3CN=C(c4cc(Cl)ccc4-c3n2)c2c(F)cccc2OC)ccc1C(O)=O Show InChI InChI=1S/C27H20ClFN4O4/c1-36-21-5-3-4-20(29)23(21)25-19-10-15(28)6-8-17(19)24-14(12-30-25)13-31-27(33-24)32-16-7-9-18(26(34)35)22(11-16)37-2/h3-11,13H,12H2,1-2H3,(H,34,35)(H,31,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceuticals International Co. , 40 Landsdowne Street, Cambridge, Massachusetts 02139, United States. Curated by ChEMBL					Assay Description Binding affinity to GABAA alpha-1 benzodiazepine binding site (unknown origin)				ACS Med Chem Lett 6: 630-4 (2015) Article DOI: 10.1021/ml500409n BindingDB Entry DOI: 10.7270/Q2WS8W1V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244155 (1-(4-chlorobenzoyl)-3-(methylthio)-hexahydrobenzo[...) Show SMILES CSC1SC(C2CCCC(=O)C12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C16H17ClO2S2/c1-20-16-13-11(3-2-4-12(13)18)15(21-16)14(19)9-5-7-10(17)8-6-9/h5-8,11,13,15-16H,2-4H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244154 (1-(4-chlorobenzoyl)-6,6-dimethyl-3-(methylthio)-he...) Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C18H21ClO2S2/c1-18(2)8-12-14(13(20)9-18)17(22-3)23-16(12)15(21)10-4-6-11(19)7-5-10/h4-7,12,14,16-17H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244192 ((3-aminobenzo[b]thiophen-2-yl)(4-chlorophenyl)meth...) Show SMILES Nc1c(sc2ccccc12)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C15H10ClNOS/c16-10-7-5-9(6-8-10)14(18)15-13(17)11-3-1-2-4-12(11)19-15/h1-8H,17H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50337276 (3-(2-chlorophenoxy)-2-(4-chlorophenyl)-6,7,8,9-tet...) Show SMILES Clc1ccc(cc1)-n1nc2c3CCCCc3ncc2c1Oc1ccccc1Cl Show InChI InChI=1S/C22H17Cl2N3O/c23-14-9-11-15(12-10-14)27-22(28-20-8-4-2-6-18(20)24)17-13-25-19-7-3-1-5-16(19)21(17)26-27/h2,4,6,8-13H,1,3,5,7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Displacement of [3H]flumazenil from GABAA receptor subunit alpha-1 expressed in CHO cells				Bioorg Med Chem Lett 21: 1523-6 (2011) Article DOI: 10.1016/j.bmcl.2010.12.107 BindingDB Entry DOI: 10.7270/Q289164V
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50395121 (CHEMBL2163548) Show SMILES CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50395121 (CHEMBL2163548) Show SMILES CN1C(=O)NC(=O)[C@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50184953 (A-33903 | CHEMBL204738 | N-(2-oxo-5-phenyl-2,3-dih...) Show SMILES CC(=O)NC1N=C(c2ccccc2)c2ccccc2NC1=O Show InChI InChI=1S/C17H15N3O2/c1-11(21)18-16-17(22)19-14-10-6-5-9-13(14)15(20-16)12-7-3-2-4-8-12/h2-10,16H,1H3,(H,18,21)(H,19,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244156 (6,6-dimethyl-3-(methylthio)-1-(3-nitrobenzoyl)-hex...) Show SMILES CSC1SC(C2CC(C)(C)CC(=O)C12)C(=O)c1cccc(c1)[N+]([O-])=O Show InChI InChI=1S/C18H21NO4S2/c1-18(2)8-12-14(13(20)9-18)17(24-3)25-16(12)15(21)10-5-4-6-11(7-10)19(22)23/h4-7,12,14,16-17H,8-9H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50244193 (4-bromo-3,5-dimethyl-1-((4-(3-nitrophenyl)thiazol-...) Show SMILES Cc1nn(Cc2nc(cs2)-c2cccc(c2)[N+]([O-])=O)c(C)c1Br Show InChI InChI=1S/C15H13BrN4O2S/c1-9-15(16)10(2)19(18-9)7-14-17-13(8-23-14)11-4-3-5-12(6-11)20(21)22/h3-6,8H,7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50019266 (1-Methyl-5-phenyl-1,3-dihydro-benzo[e][1,4]diazepi...) Show SMILES CN1c2ccccc2C(=NCC1=O)c1ccccc1 Show InChI InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(17-11-15(18)19)12-7-3-2-4-8-12/h2-10H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Moltech Corporation Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-4513 from GABAA alpha-1-beta-2-gamma-2 receptor expressed in Sf9 baculovirus system				J Med Chem 51: 3788-803 (2008) Article DOI: 10.1021/jm701433b BindingDB Entry DOI: 10.7270/Q2FQ9XH6
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM225230 (EED226) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cnc(NCc2ccco2)n2cnnc12 Show InChI InChI=1S/C17H15N5O3S/c1-26(23,24)14-6-4-12(5-7-14)15-10-19-17(22-11-20-21-16(15)22)18-9-13-3-2-8-25-13/h2-8,10-11H,9H2,1H3,(H,18,19)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research					Assay Description All HMT reactions were performed as described previously [Nasveschuk et al., ACS Med. Chem. Lett., 5:378-383].				Nat Chem Biol 13: 381-388 (2017) Article DOI: 10.1038/nchembio.2304 BindingDB Entry DOI: 10.7270/Q2S75F64
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	8.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM255474 (US9481688, 1 | US9481688, 3) Show SMILES Cc1ccc2N=C(N3CCN(CC(C)(C)C(O)=O)CC3)c3cc(Cl)sc3Oc2c1 Show InChI InChI=1S/C21H24ClN3O3S/c1-13-4-5-15-16(10-13)28-19-14(11-17(22)29-19)18(23-15)25-8-6-24(7-9-25)12-21(2,3)20(26)27/h4-5,10-11H,6-9,12H2,1-3H3,(H,26,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Activity of compounds on native GABAA receptors is evaluated by monitoring calcium fluxes using a 96 well format FLIPR system (Fluorometric Imaging P...				US Patent US9481688 (2016) BindingDB Entry DOI: 10.7270/Q25D8QRW
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50395120 (CHEMBL2163549) Show SMILES CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair
GABA A receptor alpha-4/beta-3/gamma-2 (Homo sapiens)	BDBM50395120 (CHEMBL2163549) Show SMILES CN1C(=O)NC(=O)[C@@](CC=C)(C1=O)c1cccc(c1)C1(N=N1)C(F)(F)F Show InChI InChI=1S/C16H13F3N4O3/c1-3-7-14(11(24)20-13(26)23(2)12(14)25)9-5-4-6-10(8-9)15(21-22-15)16(17,18)19/h3-6,8H,1,7H2,2H3,(H,20,24,26)/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged beta3 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair
GABA A receptor alpha-1/beta-1/gamma-2 (Homo sapiens (Human))	BDBM50055935 (5-Ethyl-5-(1-methylbutyl)-2,4,6(1H,3H,5H)-pyrimidi...) Show SMILES CCCC(C)C1(CC)C(=O)NC(=O)NC1=O Show InChI InChI=1S/C11H18N2O3/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
Massachusetts General Hospital Curated by ChEMBL					Assay Description Displacement of [3H]R-(-)-14 from human FLAG-tagged alpha1 GABA A receptor expressed in HEK293S cells				J Med Chem 55: 6554-65 (2012) Article DOI: 10.1021/jm300631e BindingDB Entry DOI: 10.7270/Q25B03MX
					More data for this Ligand-Target Pair