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 = 'BDBM50427641'   

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))	BDBM50427641 (CHEMBL2323497) Show SMILES COc1ccc2n(cc(CC(=O)NS(=O)(=O)c3ccc(cc3)C(C)=O)c2c1)C(=O)c1ccc(Cl)cc1 Show InChI InChI=1S/C26H21ClN2O6S/c1-16(30)17-5-10-22(11-6-17)36(33,34)28-25(31)13-19-15-29(24-12-9-21(35-2)14-23(19)24)26(32)18-3-7-20(27)8-4-18/h3-12,14-15H,13H2,1-2H3,(H,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.09E+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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