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 = 'BDBM50120786'   

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))	BDBM50120786 (8-Benzyl-2-(3-methoxy-phenyl)-6,7,8,9-tetrahydro-5...) Show SMILES COc1cccc(c1)-c1cn2c(n1)c1CN(Cc3ccccc3)CCc1[nH]c2=O Show InChI InChI=1S/C23H22N4O2/c1-29-18-9-5-8-17(12-18)21-15-27-22(24-21)19-14-26(11-10-20(19)25-23(27)28)13-16-6-3-2-4-7-16/h2-9,12,15H,10-11,13-14H2,1H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	268	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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