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 = 'BDBM50320788'   

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))	BDBM50320788 ((Z)-5-(4-hydroxybenzylidene)-3-(3,3,3-trifluoro-2,...) Show SMILES Oc1ccc(\C=C2/SC(=O)N(CC(O)(O)C(F)(F)F)C2=O)cc1 Show InChI InChI=1S/C13H10F3NO5S/c14-13(15,16)12(21,22)6-17-10(19)9(23-11(17)20)5-7-1-3-8(18)4-2-7/h1-5,18,21-22H,6H2/b9-5-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Messina Curated by ChEMBL					Assay Description Inhibition of bovine lens aldose reductase				Bioorg Med Chem 18: 4049-55 (2010) Article DOI: 10.1016/j.bmc.2010.04.016 BindingDB Entry DOI: 10.7270/Q2RN38VN
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