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 = 'BDBM50110709'   

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))	BDBM50110709 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-(1H-pyr...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	31	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))	BDBM50110709 (3-(2-Hydroxy-ethylsulfanyl)-6,6-dimethyl-1-(1H-pyr...) Show SMILES CC1(C)Cc2c(sc(SCCO)c2C(=O)C1)-c1cc[nH]n1 Show InChI InChI=1S/C15H18N2O2S2/c1-15(2)7-9-12(11(19)8-15)14(20-6-5-18)21-13(9)10-3-4-16-17-10/h3-4,18H,5-8H2,1-2H3,(H,16,17)	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	31	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