Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA-A receptor; alpha-5/beta-3/gamma-2' and Ligand = 'BDBM50146443'   

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
GABA-A receptor; alpha-5/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50146443 (3-Methyl-8-(1-methyl-1H-[1,2,4]triazol-3-ylmethyls...) Show SMILES CC1CC(=O)c2c(SCc3ncn(C)n3)ccc(-c3nccs3)c2C1 Show InChI InChI=1S/C18H18N4OS2/c1-11-7-13-12(18-19-5-6-24-18)3-4-15(17(13)14(23)8-11)25-9-16-20-10-22(2)21-16/h3-6,10-11H,7-9H2,1-2H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Curated by ChEMBL					Assay Description Inhibition of [3H]-Ro- 15-1788 binding to human GABA-A receptor alpha-5-beta-3-gamma-2 subunits				Bioorg Med Chem Lett 14: 2871-5 (2004) Article DOI: 10.1016/j.bmcl.2004.03.054 BindingDB Entry DOI: 10.7270/Q2KW5GK5
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