Compile Data Set for Download or QSAR

Found 15 hits of ec50 for UniProtKB: P62813   

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
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3 (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Modulation of rat eGFP-fused GABA-A receptor alpha1beta3 expressed in HEK293 cells in presence of GABA by patch-clamp assay				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/delta (Rattus norvegicus (Rat))	BDBM50457445 (CHEMBL4212818) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2ccccn12)-c1cccs1 Show InChI InChI=1S/C18H12ClN3OS/c19-13-8-6-12(7-9-13)18(23)21-17-16(14-4-3-11-24-14)20-15-5-1-2-10-22(15)17/h1-11H,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	860	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Modulation of rat eGFP-fused GABA-A receptor alpha1beta3delta expressed in HEK293 cells in presence of GABA by patch-clamp assay				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Rattus norvegicus (Rat))	BDBM50457439 (CHEMBL4213357) Show SMILES Clc1ccc(cc1)C(=O)Nc1c(nc2c(Br)cc(Br)cn12)-c1cccs1 Show InChI InChI=1S/C18H10Br2ClN3OS/c19-11-8-13(20)16-22-15(14-2-1-7-26-14)17(24(16)9-11)23-18(25)10-3-5-12(21)6-4-10/h1-9H,(H,23,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.01E+3	n/a	n/a	n/a	n/a
Johannes Gutenberg University Mainz Curated by ChEMBL					Assay Description Modulation of rat eGFP-fused GABA-A receptor alpha1beta3gamma2 expressed in HEK293 cells in presence of GABA by patch-clamp assay				J Med Chem 61: 1951-1968 (2018) Article DOI: 10.1021/acs.jmedchem.7b01484 BindingDB Entry DOI: 10.7270/Q2P271Q0
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM24183 (4-amino-n-[2,3-3H]butyric acid | 4-aminobutanoic a...) Show SMILES NCCCC(O)=O Show InChI InChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50459891 (CHEMBL4229086) Show SMILES CCCCNC(=O)c1cc(ccc1O)-c1ccc(F)cc1F Show InChI InChI=1S/C17H17F2NO2/c1-2-3-8-20-17(22)14-9-11(4-7-16(14)21)13-6-5-12(18)10-15(13)19/h4-7,9-10,21H,2-3,8H2,1H3,(H,20,22)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Agonist activity at GABAA receptor in Sprague-Dawley rat forebrain membranes assessed as enhancement of [3H]muscimol binding after 2 hrs by radiometr...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50452383 (CHEMBL4218339) Show SMILES CC(C)[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=S |r,t:4| Show InChI InChI=1S/C18H17ClN2S/c1-11(2)16-18(22)20-15-9-8-13(19)10-14(15)17(21-16)12-6-4-3-5-7-12/h3-11,16H,1-2H3,(H,20,22)/t16-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>2.40E+4	n/a	n/a	n/a	n/a
Roche Pharma Research and Early Development Curated by ChEMBL					Assay Description Displacement of [3H]-flumazenil from rat GABA-A receptor alpha1beta2gamma2 expressed in HEK293 cells by electrophysiology assay				Bioorg Med Chem Lett 27: 5415-5419 (2017) Article DOI: 10.1016/j.bmcl.2017.11.008 BindingDB Entry DOI: 10.7270/Q27D2XQ8
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Mus musculus-Rattus norvegicus (Rat))	BDBM50229715 (CHEMBL4070615) Show SMILES [H][C@]12CN([C@@H](C)[C@@]1([H])C(=O)N(C)c1ccncc21)S(=O)(=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C19H19N3O5S/c1-11-18-14(13-8-20-6-5-15(13)21(2)19(18)23)9-22(11)28(24,25)12-3-4-16-17(7-12)27-10-26-16/h3-8,11,14,18H,9-10H2,1-2H3/t11-,14+,18+/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
Amgen Inc. Curated by ChEMBL					Assay Description Positive allosteric modulation of C57BL/6 mouse GABAA receptor alpha1beta3gamma2 assessed as increase in GABA-induced current response at -60 mV hold...				Bioorg Med Chem Lett 27: 3207-3218 (2017) Article DOI: 10.1016/j.bmcl.2017.04.073 BindingDB Entry DOI: 10.7270/Q2MC92NR
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50462450 (CHEMBL4238712) Show SMILES FC(F)(C(NS(=O)(=O)c1ccccc1)c1ccccc1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C25H19F2NO3S/c26-25(27,24(29)21-16-15-18-9-7-8-12-20(18)17-21)23(19-10-3-1-4-11-19)28-32(30,31)22-13-5-2-6-14-22/h1-17,23,28H	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...				Bioorg Med Chem Lett 28: 2697-2700 (2018) Article DOI: 10.1016/j.bmcl.2018.04.003 BindingDB Entry DOI: 10.7270/Q20P12N7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50462446 (CHEMBL4238634) Show SMILES CC(C)(C)OC(=O)NC(c1ccccc1)C(F)(F)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C24H23F2NO3/c1-23(2,3)30-22(29)27-20(17-10-5-4-6-11-17)24(25,26)21(28)19-14-13-16-9-7-8-12-18(16)15-19/h4-15,20H,1-3H3,(H,27,29)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...				Bioorg Med Chem Lett 28: 2697-2700 (2018) Article DOI: 10.1016/j.bmcl.2018.04.003 BindingDB Entry DOI: 10.7270/Q20P12N7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50427613 (CHEMBL2322935) Show SMILES OC(\C=C\c1ccccc1)C(F)(F)C(=O)C12CC3CC(CC(C3)C1)C2 |THB:20:19:16:22.21.23,20:21:18.19.24:16,23:21:18:24.15.16,23:15:18:22.20.21,13:15:18:22.20.21| Show InChI InChI=1S/C21H24F2O2/c22-21(23,18(24)7-6-14-4-2-1-3-5-14)19(25)20-11-15-8-16(12-20)10-17(9-15)13-20/h1-7,15-18,24H,8-13H2/b7-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...				Bioorg Med Chem Lett 28: 2697-2700 (2018) Article DOI: 10.1016/j.bmcl.2018.04.003 BindingDB Entry DOI: 10.7270/Q20P12N7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50462443 (CHEMBL4238315) Show SMILES FC(F)(C(NCc1ccccc1)c1ccccc1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C22H18ClF2NO/c23-19-13-11-18(12-14-19)21(27)22(24,25)20(17-9-5-2-6-10-17)26-15-16-7-3-1-4-8-16/h1-14,20,26H,15H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...				Bioorg Med Chem Lett 28: 2697-2700 (2018) Article DOI: 10.1016/j.bmcl.2018.04.003 BindingDB Entry DOI: 10.7270/Q20P12N7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-2/gamma-2 (Rattus norvegicus (Rat))	BDBM50462444 (CHEMBL4244129) Show SMILES FC(F)(C(NCc1ccccc1)c1ccccc1)C(=O)c1ccc2ccccc2c1 Show InChI InChI=1S/C26H21F2NO/c27-26(28,25(30)23-16-15-20-11-7-8-14-22(20)17-23)24(21-12-5-2-6-13-21)29-18-19-9-3-1-4-10-19/h1-17,24,29H,18H2	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
University of Mississippi Curated by ChEMBL					Assay Description Agonist activity at rat GFP-fused GABA-A alpha1/beta2/gamma2 receptor expressed in human tsA201 cells at -60 mV holding potential by whole-cell volta...				Bioorg Med Chem Lett 28: 2697-2700 (2018) Article DOI: 10.1016/j.bmcl.2018.04.003 BindingDB Entry DOI: 10.7270/Q20P12N7
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50273002 (5-Aminomethyl-3H-[1,3,4]oxadiazol-2-one Hydrochlor...) Show SMILES NCc1n[nH]c(=O)o1 Show InChI InChI=1S/C3H5N3O2/c4-1-2-5-6-3(7)8-2/h1,4H2,(H,6,7)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	2.80E+5	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat recombinant GABAAalpha1beta3gamma2 receptor expressed in HEK293 cells assessed as normalization of GABA-induced current by wh...				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1 (Rattus norvegicus (Rat))	BDBM50273004 (5-Piperidin-4-yl-3H-[1,3,4]oxadiazol-2-thione Hydr...) Show SMILES Sc1nnc(o1)C1CCNCC1 Show InChI InChI=1S/C7H11N3OS/c12-7-10-9-6(11-7)5-1-3-8-4-2-5/h5,8H,1-4H2,(H,10,12)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	9.50E+6	n/a	n/a	n/a	n/a
Johannes Gutenberg-UniVersity Curated by ChEMBL					Assay Description Agonist activity at rat wild type GABAAalpha1beta2 receptor expressed in Xenopus laevis oocytes at -60 mV by Two-Electrode voltage clamp method				J Med Chem 51: 4430-48 (2008) Article DOI: 10.1021/jm701562x BindingDB Entry DOI: 10.7270/Q2FF3S6G
					More data for this Ligand-Target Pair