Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Gamma-aminobutyric acid receptor subunit alpha-1/beta-3/gamma-2' and Ligand = 'BDBM50105783'   

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-1/beta-3/gamma-2 (Homo sapiens (Human))	BDBM50105783 (2-(3,4-Dihydro-1H-isoquinolin-2-yl)-propionic acid...) Show SMILES COc1cccc(OC)c1OC(=O)[C@H](C)N1CCc2ccccc2C1 Show InChI InChI=1S/C20H23NO4/c1-14(21-12-11-15-7-4-5-8-16(15)13-21)20(22)25-19-17(23-2)9-6-10-18(19)24-3/h4-10,14H,11-13H2,1-3H3/t14-/m0/s1	UniProtKB/SwissProt antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a
Organon Research Curated by ChEMBL					Assay Description GABA-modulatory action compound was evaluated on Oocytes expressing recombinant human alpha-1-beta-3-gamma-2L GABA A receptor at concentrations of >=...				J Med Chem 44: 3582-91 (2001) BindingDB Entry DOI: 10.7270/Q2KW5GRD
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