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 = 'BDBM50427646'   

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))	BDBM50427646 (CHEMBL2323492) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc4ccccc4c3)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C28H21ClN2O5S/c1-36-23-11-13-26-25(16-23)21(17-31(26)28(33)19-6-9-22(29)10-7-19)15-27(32)30-37(34,35)24-12-8-18-4-2-3-5-20(18)14-24/h2-14,16-17H,15H2,1H3,(H,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.19E+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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