Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2' and Ligand = 'BDBM50110712'   

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))	BDBM50110712 (6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccncc1 Show InChI InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	172	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 Binding affinity to human gamma-aminobutyric-acid A receptor alpha1beta3gamma2, determined using [3H]-Ro- 15-1788 radioligand				J Med Chem 46: 2227-40 (2003) Article DOI: 10.1021/jm020582q BindingDB Entry DOI: 10.7270/Q2BK1BP2
					More data for this Ligand-Target Pair
Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110712 (6,6-Dimethyl-3-methylsulfanyl-1-pyridin-4-yl-6,7-d...) Show SMILES CSc1sc(c2CC(C)(C)CC(=O)c12)-c1ccncc1 Show InChI InChI=1S/C16H17NOS2/c1-16(2)8-11-13(12(18)9-16)15(19-3)20-14(11)10-4-6-17-7-5-10/h4-7H,8-9H2,1-3H3	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	172	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]- Ro 15-1788 binding from human GABA-A receptor alpha1-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair