Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Glucose-6-phosphate 1-dehydrogenase' and Ligand = 'BDBM70014'   

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))	BDBM70014 ((2Z)-2-benzal-3-keto-N-(3-pyrrolidinopropyl)-4H-1,...) Show SMILES O=C(NCCCN1CCCC1)c1ccc2S\C(=C/c3ccccc3)C(=O)Nc2c1 Show InChI InChI=1S/C23H25N3O2S/c27-22(24-11-6-14-26-12-4-5-13-26)18-9-10-20-19(16-18)25-23(28)21(29-20)15-17-7-2-1-3-8-17/h1-3,7-10,15-16H,4-6,11-14H2,(H,24,27)(H,25,28)/b21-15-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase 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
					More data for this Ligand-Target Pair