Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-3/beta-3/gamma-2' and Ligand = 'BDBM50110713'   

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-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110713 (3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...) Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	16	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-amino butyric-acid A receptor alpha3beta3gamma2, using a [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-3/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50110713 (3-Ethylsulfanyl-6,6-dimethyl-1-(1H-pyrazol-3-yl)-6...) Show SMILES CCSc1sc(-c2cc[nH]n2)c2CC(C)(C)CC(=O)c12 Show InChI InChI=1S/C15H18N2OS2/c1-4-19-14-12-9(7-15(2,3)8-11(12)18)13(20-14)10-5-6-16-17-10/h5-6H,4,7-8H2,1-3H3,(H,16,17)	PDB UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	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 alpha3-beta3-gamma2 subunits				J Med Chem 45: 1176-9 (2002) BindingDB Entry DOI: 10.7270/Q26Q1WKG
					More data for this Ligand-Target Pair