Compile Data Set for Download or QSAR

Found 199 hits with Last Name = 'benchekroun' and Initial = 'm'   

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-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526865 (CHEMBL4476044) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1cccc(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-Ro15-1788 from human GABAA alpha5beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillat...				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM144227 (US8952008, 4) Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation co...				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526870 (CHEMBL4303594) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F |(1.49,-6.17,;2.66,-5.15,;4.15,-5.47,;4.94,-4.14,;3.9,-2.99,;2.49,-3.61,;1.17,-2.84,;1.18,-1.3,;-.17,-.52,;-1.49,-1.33,;-2.81,-.53,;-4.3,-1.03,;-5.19,.24,;-4.33,1.49,;-2.85,1,;-1.5,1.75,;-.14,1.01,;1.17,1.78,;1.56,3.27,;3.05,2.86,;2.66,1.37,;-4.77,-2.46,;-3.76,-3.64,;-2.24,-3.33,;-4.22,-5.1,;-5.73,-5.38,;-6.78,-4.23,;-6.27,-2.79,;-7.3,-1.62,)| Show InChI InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526870 (CHEMBL4303594) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F |(1.49,-6.17,;2.66,-5.15,;4.15,-5.47,;4.94,-4.14,;3.9,-2.99,;2.49,-3.61,;1.17,-2.84,;1.18,-1.3,;-.17,-.52,;-1.49,-1.33,;-2.81,-.53,;-4.3,-1.03,;-5.19,.24,;-4.33,1.49,;-2.85,1,;-1.5,1.75,;-.14,1.01,;1.17,1.78,;1.56,3.27,;3.05,2.86,;2.66,1.37,;-4.77,-2.46,;-3.76,-3.64,;-2.24,-3.33,;-4.22,-5.1,;-5.73,-5.38,;-6.78,-4.23,;-6.27,-2.79,;-7.3,-1.62,)| Show InChI InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526870 (CHEMBL4303594) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C1CCC1)-c1c(F)cccc1F |(1.49,-6.17,;2.66,-5.15,;4.15,-5.47,;4.94,-4.14,;3.9,-2.99,;2.49,-3.61,;1.17,-2.84,;1.18,-1.3,;-.17,-.52,;-1.49,-1.33,;-2.81,-.53,;-4.3,-1.03,;-5.19,.24,;-4.33,1.49,;-2.85,1,;-1.5,1.75,;-.14,1.01,;1.17,1.78,;1.56,3.27,;3.05,2.86,;2.66,1.37,;-4.77,-2.46,;-3.76,-3.64,;-2.24,-3.33,;-4.22,-5.1,;-5.73,-5.38,;-6.78,-4.23,;-6.27,-2.79,;-7.3,-1.62,)| Show InChI InChI=1S/C19H17F2N7O/c1-27-16(22-10-23-27)9-29-19-12(11-4-2-5-11)8-15-24-25-18(28(15)26-19)17-13(20)6-3-7-14(17)21/h3,6-8,10-11H,2,4-5,9H2,1H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418481 (CHEMBL1783282) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)| Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418481 (CHEMBL1783282) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)| Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.309	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526865 (CHEMBL4476044) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1cccc(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-Ro15-1788 from human GABAA alpha1beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillat...				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50418481 (CHEMBL1783282) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)| Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50418456 (CHEMBL1783256) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC Show InChI InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50526865 (CHEMBL4476044) Show SMILES CC(C)(O)c1ccc2n(cnc2c1)-c1cccc(c1)-c1ccccc1C#N Show InChI InChI=1S/C23H19N3O/c1-23(2,27)18-10-11-22-21(13-18)25-15-26(22)19-8-5-7-16(12-19)20-9-4-3-6-17(20)14-24/h3-13,15,27H,1-2H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-Ro15-1788 from human GABAA alpha3beta3gamma2 expressed in HEK293 cell membranes incubated for 40 or 90 mins by liquid scintillat...				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-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 DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179998 (7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50179855 (6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...) Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)| Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.730	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179998 (7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha1beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM144227 (US8952008, 4) Show SMILES CCn1cnc2c(cnnc12)-c1ccc(F)c(c1)-c1ccc(cc1OC)S(=O)(=O)CC Show InChI InChI=1S/C22H21FN4O3S/c1-4-27-13-24-21-18(12-25-26-22(21)27)14-6-9-19(23)17(10-14)16-8-7-15(11-20(16)30-3)31(28,29)5-2/h6-13H,4-5H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha3beta3gamma2 expressed in HEK293 cell membranes measured after 2 hrs by liquid scintillation co...				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50179855 (6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...) Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)| Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50418481 (CHEMBL1783282) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1c(F)cccc1OC |(3.52,-21.84,;2.19,-22.61,;.85,-21.84,;-.48,-22.61,;-1.81,-21.84,;-1.81,-20.3,;-3.15,-22.61,;-3.16,-24.17,;-4.5,-24.95,;-5.84,-24.18,;-7.18,-24.95,;-8.51,-24.18,;-8.51,-22.63,;-7.18,-21.86,;-5.85,-22.63,;-4.51,-21.84,;-4.52,-20.3,;-7.18,-26.49,;-5.85,-27.25,;-4.52,-26.47,;-5.85,-28.78,;-7.19,-29.56,;-8.52,-28.78,;-8.52,-27.25,;-9.85,-26.47,;-9.84,-24.93,)| Show InChI InChI=1S/C19H19FN4O2/c1-3-10-22-19(25)18-16(21)12-7-4-6-11(17(12)23-24-18)15-13(20)8-5-9-14(15)26-2/h4-9H,3,10H2,1-2H3,(H2,21,23)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50179855 (6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...) Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)| Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50179855 (6,2'-Difluoro-5'-[3-(1-hydroxy-1-methyl-ethyl)-imi...) Show SMILES CC(C)(O)c1cnn2c(cnc2n1)-c1ccc(F)c(c1)-c1c(F)cccc1C#N |(-7.31,-29.47,;-5.97,-30.24,;-6.74,-31.58,;-5.2,-28.9,;-4.62,-31.01,;-4.63,-32.55,;-3.28,-33.32,;-1.96,-32.55,;-.49,-33.02,;.41,-31.78,;-.49,-30.53,;-1.96,-31.01,;-3.29,-30.24,;-.09,-34.51,;-1.17,-35.61,;-.77,-37.08,;.72,-37.47,;1.15,-38.97,;1.81,-36.39,;1.39,-34.9,;3.3,-36.77,;3.7,-38.25,;2.62,-39.34,;5.19,-38.63,;6.27,-37.54,;5.85,-36.06,;4.38,-35.67,;3.98,-34.17,;3.58,-32.67,)| Show InChI InChI=1S/C21H15F2N5O/c1-21(2,29)18-11-26-28-17(10-25-20(28)27-18)12-6-7-15(22)14(8-12)19-13(9-24)4-3-5-16(19)23/h3-8,10-11,29H,1-2H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418480 (CHEMBL1783280) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cnccc1OC Show InChI InChI=1S/C18H19N5O2/c1-3-8-21-18(24)17-15(19)12-6-4-5-11(16(12)22-23-17)13-10-20-9-7-14(13)25-2/h4-7,9-10H,3,8H2,1-2H3,(H2,19,22)(H,21,24)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50179998 (7-tert-butyl-3-(2,5-difluorophenyl)-6-((2-methyl-2...) Show SMILES Cn1ncnc1COc1nn2c(nnc2cc1C(C)(C)C)-c1cc(F)ccc1F Show InChI InChI=1S/C19H19F2N7O/c1-19(2,3)13-8-15-24-25-17(12-7-11(20)5-6-14(12)21)28(15)26-18(13)29-9-16-22-10-23-27(16)4/h5-8,10H,9H2,1-4H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from human GABAA alpha5beta3gamma2 expressed in Ltk cells				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50418456 (CHEMBL1783256) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC Show InChI InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50311045 (3-bromo-10-(difluoromethyl)-9H-benzo[f]imidazo[1,5...) Show SMILES FC(F)c1ncn-2c1Cn1ncnc1-c1cc(Br)ccc-21 Show InChI InChI=1S/C13H8BrF2N5/c14-7-1-2-9-8(3-7)13-17-5-19-21(13)4-10-11(12(15)16)18-6-20(9)10/h1-3,5-6,12H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM133427 (US8846719, 112) Show SMILES Cc1onc(c1COc1ccc(cn1)C(=O)N1CCS(=O)(=O)CC1)-c1ccc(F)cc1 Show InChI InChI=1S/C21H20FN3O5S/c1-14-18(20(24-30-14)15-2-5-17(22)6-3-15)13-29-19-7-4-16(12-23-19)21(26)25-8-10-31(27,28)11-9-25/h2-7,12H,8-11,13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418456 (CHEMBL1783256) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC Show InChI InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418456 (CHEMBL1783256) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(OC)ccc1OC Show InChI InChI=1S/C20H22N4O3/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(26-2)8-9-16(15)27-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418447 (CHEMBL1783247) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(C)ccc1C Show InChI InChI=1S/C20H22N4O/c1-4-10-22-20(25)19-17(21)15-7-5-6-14(18(15)23-24-19)16-11-12(2)8-9-13(16)3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50034820 (8-Chloro-3-methoxymethyl-5-methyl-4,5-dihydro-2,5,...) Show SMILES COCc1ncn-2c1CN(C)C(=O)c1cc(Cl)ccc-21 Show InChI InChI=1S/C14H14ClN3O2/c1-17-6-13-11(7-20-2)16-8-18(13)12-4-3-9(15)5-10(12)14(17)19/h3-5,8H,6-7H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418487 (CHEMBL1783281) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cc(C)ccc1OC Show InChI InChI=1S/C20H22N4O2/c1-4-10-22-20(25)19-17(21)14-7-5-6-13(18(14)23-24-19)15-11-12(2)8-9-16(15)26-3/h5-9,11H,4,10H2,1-3H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418479 (CHEMBL1783279) Show SMILES CCCNC(=O)c1nnc2c(cccc2c1N)-c1cnc(OC)nc1OC Show InChI InChI=1S/C18H20N6O3/c1-4-8-20-16(25)15-13(19)11-7-5-6-10(14(11)23-24-15)12-9-21-18(27-3)22-17(12)26-2/h5-7,9H,4,8H2,1-3H3,(H2,19,23)(H,20,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (Homo sapiens (Human))	BDBM50526866 (CHEMBL4581355) Show SMILES Cc1c(F)c(Nc2ccc(cn2)-c2cn(C)cn2)cc2n(CC3CC3)cnc12 Show InChI InChI=1S/C21H21FN6/c1-13-20(22)16(7-18-21(13)25-12-28(18)9-14-3-4-14)26-19-6-5-15(8-23-19)17-10-27(2)11-24-17/h5-8,10-12,14H,3-4,9H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-2 (Homo sapiens (Human))	BDBM50418453 (CHEMBL1783253) Show SMILES COc1ccc(OC)c(c1)-c1cccc2c(N)c(nnc12)C(=O)NC1CC1 Show InChI InChI=1S/C20H20N4O3/c1-26-12-8-9-16(27-2)15(10-12)13-4-3-5-14-17(21)19(24-23-18(13)14)20(25)22-11-6-7-11/h3-5,8-11H,6-7H2,1-2H3,(H2,21,23)(H,22,25)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50162235 (6-phenyl-4,5,7,8-tetraazatetracyclo[9.2.2.02,10.03...) Show SMILES C(Oc1nn2c(nnc2c2C3CCC(CC3)c12)-c1ccccc1)c1ccccn1 |(.38,-2.64,;-.97,-1.89,;-.97,-.33,;.37,.41,;.37,1.98,;1.5,2.99,;.89,4.4,;-.62,4.25,;-.97,2.73,;-2.28,1.95,;-3.63,2.65,;-2.98,1.21,;-4.57,1.21,;-3.61,-.36,;-4.96,.41,;-4.96,1.95,;-2.28,.41,;2.99,2.58,;3.39,1.12,;4.86,.72,;5.96,1.8,;5.54,3.29,;4.07,3.69,;.38,-4.18,;-.97,-4.95,;-.97,-6.49,;.37,-7.26,;1.71,-6.49,;1.69,-4.95,)| Show InChI InChI=1S/C23H21N5O/c1-2-6-17(7-3-1)21-25-26-22-19-15-9-11-16(12-10-15)20(19)23(27-28(21)22)29-14-18-8-4-5-13-24-18/h1-8,13,15-16H,9-12,14H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Homo sapiens (Human))	BDBM50311047 (3,10-dichloro-9H-benzo[f]imidazo[1,5-a][1,2,4]tria...) Show SMILES Clc1ncn-2c1Cn1ncnc1-c1cc(Cl)ccc-21 Show InChI InChI=1S/C12H7Cl2N5/c13-7-1-2-9-8(3-7)12-15-5-17-19(12)4-10-11(14)16-6-18(9)10/h1-3,5-6H,4H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-5 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha5 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha1 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-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 DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha2 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-3 (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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Sussex Curated by ChEMBL					Assay Description Binding affinity to GABA-A alpha3 (unknown origin)				J Med Chem 63: 3425-3446 (2020) Article DOI: 10.1021/acs.jmedchem.9b01312 BindingDB Entry DOI: 10.7270/Q2VD72WN
					More data for this Ligand-Target Pair

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