Compile Data Set for Download or QSAR

Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50017686   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185339 (3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185339 (3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185339 (3-(2,6-difluorophenyl)-5-[4-fluoro-3-(3-fluoropyri...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cccc1F Show InChI InChI=1S/C21H11F4N3/c22-15-7-6-12(9-14(15)21-18(25)5-2-8-26-21)13-10-19(28-27-11-13)20-16(23)3-1-4-17(20)24/h1-11H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185335 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185343 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3,...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H	GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185336 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-f...) Show SMILES Fc1ccccc1-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncccc1F Show InChI InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185340 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H	GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185337 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccccc1F Show InChI InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185332 (3-(3,5-difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluo...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185336 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)phenyl]-3-(2-f...) Show SMILES Fc1ccccc1-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncccc1F Show InChI InChI=1S/C21H12F3N3/c22-17-5-2-1-4-15(17)20-11-14(12-26-27-20)13-7-8-18(23)16(10-13)21-19(24)6-3-9-25-21/h1-12H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185342 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185334 (3-(2,4-difluorophenyl)-5-[3-(3,5-difluoropyridin-2...) Show SMILES Fc1ccc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185340 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185331 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185335 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185337 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccccc1F Show InChI InChI=1S/C21H11F4N3/c22-14-9-19(25)21(26-11-14)16-7-12(5-6-18(16)24)13-8-20(28-27-10-13)15-3-1-2-4-17(15)23/h1-11H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185338 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H	GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185343 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3,...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185340 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H11F3N4/c21-15-6-5-12(9-14(15)19-16(22)3-1-7-24-19)13-10-18(27-26-11-13)20-17(23)4-2-8-25-20/h1-11H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185333 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F Show InChI InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185343 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3,...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)20(26-10-13)18-7-12(9-27-28-18)11-3-4-15(22)14(6-11)19-16(23)2-1-5-25-19/h1-10H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185332 (3-(3,5-difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluo...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185334 (3-(2,4-difluorophenyl)-5-[3-(3,5-difluoropyridin-2...) Show SMILES Fc1ccc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C21H10F5N3/c22-13-2-3-15(18(25)7-13)20-6-12(9-28-29-20)11-1-4-17(24)16(5-11)21-19(26)8-14(23)10-27-21/h1-10H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185335 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ncccc1F Show InChI InChI=1S/C20H10F4N4/c21-13-8-17(24)19(26-10-13)14-6-11(3-4-15(14)22)12-7-18(28-27-9-12)20-16(23)2-1-5-25-20/h1-10H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185332 (3-(3,5-difluoropyridin-4-yl)-5-[4-fluoro-3-(3-fluo...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H10F4N4/c21-14-4-3-11(6-13(14)20-15(22)2-1-5-26-20)12-7-18(28-27-8-12)19-16(23)9-25-10-17(19)24/h1-10H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185344 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H	GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha1 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185341 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1ccc(cc1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185333 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F Show InChI InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha2 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185333 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F Show InChI InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185333 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cc(F)cc1F Show InChI InChI=1S/C21H9F6N3/c22-12-5-16(25)20(17(26)6-12)19-4-11(8-29-30-19)10-1-2-15(24)14(3-10)21-18(27)7-13(23)9-28-21/h1-9H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185341 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1ccc(cc1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C21H11F4N3/c22-15-4-1-12(2-5-15)20-8-14(10-27-28-20)13-3-6-18(24)17(7-13)21-19(25)9-16(23)11-26-21/h1-11H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185342 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185344 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185338 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H	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
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185338 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1c(F)cncc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-15(23)20(27-7-12)13-3-10(1-2-14(13)22)11-4-18(29-28-6-11)19-16(24)8-26-9-17(19)25/h1-9H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185342 (5-[4-fluoro-3-(3-fluoropyridin-2-yl)-phenyl]-3-(3-...) Show SMILES Fc1ccc(cc1-c1ncccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H11F3N4/c21-16-4-3-12(8-15(16)20-17(22)2-1-6-25-20)13-9-19(27-26-10-13)14-5-7-24-11-18(14)23/h1-11H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185344 (5-[3-(3,5-difluoropyridin-2-yl)-4-fluorophenyl]-3-...) Show SMILES Fc1cnc(c(F)c1)-c1cc(ccc1F)-c1cnnc(c1)-c1ccncc1F Show InChI InChI=1S/C20H10F4N4/c21-13-7-17(23)20(26-9-13)15-5-11(1-2-16(15)22)12-6-19(28-27-8-12)14-3-4-25-10-18(14)24/h1-10H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185331 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha3 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-2/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185331 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha2 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50185331 (5-[4-fluoro-3-(3,5-difluoropyridin-2-yl)-phenyl]-3...) Show SMILES Fc1cnc(c(F)c1)-c1cc(cnn1)-c1ccc(F)c(c1)-c1ncc(F)cc1F Show InChI InChI=1S/C20H9F5N4/c21-12-5-16(24)19(26-8-12)14-3-10(1-2-15(14)23)11-4-18(29-28-7-11)20-17(25)6-13(22)9-27-20/h1-9H	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]Ro15-1788 from recombinant human GABA-Aalpha5 receptor plus beta3gamma2				J Med Chem 49: 2600-10 (2006) Article DOI: 10.1021/jm051144x BindingDB Entry DOI: 10.7270/Q29Z94HV
					More data for this Ligand-Target Pair