Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with all data for entry = 50017472   

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))	BDBM50182527 (4-(3,3-diphenyl-1-propyl)-5-(4-piperidyl)isothiazo...) Show SMILES O=c1[nH]sc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26N2OS/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182520 (4-((1-bromo-2-naphthyl)methyl)-5-(4-piperidyl)isot...) Show SMILES Brc1c(Cc2c(s[nH]c2=O)C2CCNCC2)ccc2ccccc12 Show InChI InChI=1S/C19H19BrN2OS/c20-17-14(6-5-12-3-1-2-4-15(12)17)11-16-18(24-22-19(16)23)13-7-9-21-10-8-13/h1-6,13,21H,7-11H2,(H,22,23)	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
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50113806 (4-(3,3-Diphenyl-propyl)-5-piperidin-4-yl-isoxazol-...) Show SMILES O=c1[nH]oc(C2CCNCC2)c1CCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C23H26N2O2/c26-23-21(22(27-25-23)19-13-15-24-16-14-19)12-11-20(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19-20,24H,11-16H2,(H,25,26)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182524 (4-(2-naphthylmethyl)-5-(4-piperidyl)isothiazol-3-o...) Show SMILES O=c1[nH]sc(C2CCNCC2)c1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C19H20N2OS/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182521 (5-(4-piperidyl)-4-propylisothiazol-3-ol | CHEMBL38...) Show SMILES CCCc1c(s[nH]c1=O)C1CCNCC1 Show InChI InChI=1S/C11H18N2OS/c1-2-3-9-10(15-13-11(9)14)8-4-6-12-7-5-8/h8,12H,2-7H2,1H3,(H,13,14)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50001572 ((gabazine)4-[6-Imino-3-(4-methoxy-phenyl)-6H-pyrid...) Show SMILES COc1ccc(cc1)-c1ccc(=N)n(CCCC(O)=O)n1 Show InChI InChI=1S/C15H17N3O3/c1-21-12-6-4-11(5-7-12)13-8-9-14(16)18(17-13)10-2-3-15(19)20/h4-9,16H,2-3,10H2,1H3,(H,19,20)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50095533 (4-(naphthalen-2-ylmethyl)-5-(piperidin-4-yl)isoxaz...) Show SMILES O=c1[nH]oc(C2CCNCC2)c1Cc1ccc2ccccc2c1 Show InChI InChI=1S/C19H20N2O2/c22-19-17(18(23-21-19)15-7-9-20-10-8-15)12-13-5-6-14-3-1-2-4-16(14)11-13/h1-6,11,15,20H,7-10,12H2,(H,21,22)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182526 (4-benzyl-5-(4-piperidyl)isothiazol-3-ol | CHEMBL20...) Show SMILES O=c1[nH]sc(C2CCNCC2)c1Cc1ccccc1 Show InChI InChI=1S/C15H18N2OS/c18-15-13(10-11-4-2-1-3-5-11)14(19-17-15)12-6-8-16-9-7-12/h1-5,12,16H,6-10H2,(H,17,18)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	465	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182525 (4-(2,2-diphenyl-1-ethyl)-5-(4-piperidyl)isothiazol...) Show SMILES O=c1[nH]sc(C2CCNCC2)c1CC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C22H24N2OS/c25-22-20(21(26-24-22)18-11-13-23-14-12-18)15-19(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,18-19,23H,11-15H2,(H,24,25)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50182522 (4-Methyl-5-(4-piperidyl)isothiazol-3-ol | CHEMBL20...) Show SMILES Cc1c(s[nH]c1=O)C1CCNCC1 Show InChI InChI=1S/C9H14N2OS/c1-6-8(13-11-9(6)12)7-2-4-10-5-3-7/h7,10H,2-5H2,1H3,(H,11,12)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.88E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50032951 (5-(piperidin-4-yl)isothiazol-3-ol | 5-Piperidin-4-...) Show SMILES O=c1cc(s[nH]1)C1CCNCC1 Show InChI InChI=1S/C8H12N2OS/c11-8-5-7(12-10-8)6-1-3-9-4-2-6/h5-6,9H,1-4H2,(H,10,11)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.57E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Danish University of Pharmaceutical Sciences Curated by ChEMBL					Assay Description Binding affinity at human GABAA alpha1beta3gamma2S expressed in Xenopus oocytes by voltage-clamp electrophysiology				J Med Chem 49: 1388-96 (2006) Article DOI: 10.1021/jm050987l BindingDB Entry DOI: 10.7270/Q2VD6Z1T
					More data for this Ligand-Target Pair