Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucose-6-phosphate 1-dehydrogenase' and Ligand = 'BDBM50396524'   

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
Glucose-6-phosphate 1-dehydrogenase (Homo sapiens (Human))	BDBM50396524 (CHEMBL2170933) Show SMILES CCN1CCCC1CNC(=O)c1ccc2S\C(=C/c3ccccc3C)C(=O)Nc2c1 Show InChI InChI=1S/C24H27N3O2S/c1-3-27-12-6-9-19(27)15-25-23(28)18-10-11-21-20(13-18)26-24(29)22(30-21)14-17-8-5-4-7-16(17)2/h4-5,7-8,10-11,13-14,19H,3,6,9,12,15H2,1-2H3,(H,25,28)(H,26,29)/b22-14-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>8.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of human glucose-6-phosphate dehydrogenase after 90 mins by resazurin/diaphorasecoupled assay				J Med Chem 55: 7262-72 (2012) Article DOI: 10.1021/jm300833h BindingDB Entry DOI: 10.7270/Q25T3MM3
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