Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'GABA A receptor alpha-4/beta-3/gamma-2' and Ligand = 'BDBM50156083'   

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-4/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50156083 (3-tert-Butyl-7-(5-methyl-isoxazol-3-yl)-2-(2-methy...) Show SMILES Cc1cc(no1)-c1nncc2c(c(OCc3ncnn3C)nn12)C(C)(C)C Show InChI InChI=1S/C17H20N8O2/c1-10-6-11(23-27-10)15-21-19-7-12-14(17(2,3)4)16(22-25(12)15)26-8-13-18-9-20-24(13)5/h6-7,9H,8H2,1-5H3	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	395	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 towards gamma-aminobutyric-acid GABA-A receptor alpha4-beta3-gamma2				J Med Chem 47: 5829-32 (2004) Article DOI: 10.1021/jm040863t BindingDB Entry DOI: 10.7270/Q2CZ36MC
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