Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1 [K65Q]' and Ligand = 'BDBM50016240'   

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
Aldo-keto reductase family 1 member B1 [K65Q] (Bos taurus (Cattle))	BDBM50016240 (CHEMBL3262467) Show SMILES NC(=O)COc1cccc(\C=C2/SC(=S)NC2=O)c1 Show InChI InChI=1S/C12H10N2O3S2/c13-10(15)6-17-8-3-1-2-7(4-8)5-9-11(16)14-12(18)19-9/h1-5H,6H2,(H2,13,15)(H,14,16,18)/b9-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.65E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of bovine aldose reductase assessed as oxidation of NADPH				Eur J Med Chem 81: 1-14 (2014) Article DOI: 10.1016/j.ejmech.2014.05.003 BindingDB Entry DOI: 10.7270/Q2833TJC
					More data for this Ligand-Target Pair