Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member C3' and Ligand = 'BDBM50427637'   

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 C3 (Homo sapiens (Human))	BDBM50427637 (CHEMBL2323502) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(cc3)C#N)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C25H18ClN3O5S/c1-34-20-8-11-23-22(13-20)18(15-29(23)25(31)17-4-6-19(26)7-5-17)12-24(30)28-35(32,33)21-9-2-16(14-27)3-10-21/h2-11,13,15H,12H2,1H3,(H,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a
Vanderbilt University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3-mediated NADP+-dependent oxidation of S-(+)-1,2,3,4-tetrahydro-1-naphthol				J Med Chem 56: 2429-46 (2013) Article DOI: 10.1021/jm3017656 BindingDB Entry DOI: 10.7270/Q2X92CMG
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