Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-2' and Ligand = 'BDBM50120774'   

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-2 (Homo sapiens (Human))	BDBM50120774 (2-(2-Fluoro-phenyl)-8-(4-methoxy-benzoyl)-6,7,8,9-...) Show SMILES COc1ccc(cc1)C(=O)N1CCc2[nH]c(=O)n3cc(nc3c2C1)-c1ccccc1F Show InChI InChI=1S/C23H19FN4O3/c1-31-15-8-6-14(7-9-15)22(29)27-11-10-19-17(12-27)21-25-20(13-28(21)23(30)26-19)16-4-2-3-5-18(16)24/h2-9,13H,10-12H2,1H3,(H,26,30)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	383	n/a	n/a	n/a	n/a
Neurogen Corporation Curated by ChEMBL					Assay Description Effective concentration against gamma-aminobutyric acid (GABA) A receptor, alpha 2				J Med Chem 45: 5043-51 (2002) BindingDB Entry DOI: 10.7270/Q2DR2TTC
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