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 = 'BDBM50396750'   

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))	BDBM50396750 (CHEMBL2172259) Show SMILES O=C(NCc1cc(=O)[nH]cn1)c1cc2ccccn2n1 Show InChI InChI=1S/C13H11N5O2/c19-12-5-9(15-8-16-12)7-14-13(20)11-6-10-3-1-2-4-18(10)17-11/h1-6,8H,7H2,(H,14,20)(H,15,16,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.18E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Ljubljana Curated by ChEMBL					Assay Description Inhibition of human recombinant AKR1C3 assessed as 1-acenaphthenol oxidation by spectrophotometry				J Med Chem 55: 7417-24 (2012) Article DOI: 10.1021/jm300841n BindingDB Entry DOI: 10.7270/Q2125TR9
					More data for this Ligand-Target Pair