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 = 'BDBM50320778'   

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))	BDBM50320778 ((Z)-5-[(4-Benzyloxyphenyl)methylidene]-3-(3,3,3-tr...) Show SMILES FC(F)(F)C(=O)CN1C(=O)S\C(=C/c2ccc(OCc3ccccc3)cc2)C1=O Show InChI InChI=1S/C20H14F3NO4S/c21-20(22,23)17(25)11-24-18(26)16(29-19(24)27)10-13-6-8-15(9-7-13)28-12-14-4-2-1-3-5-14/h1-10H,11-12H2/b16-10-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>9.00E+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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