Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B7' and Ligand = 'BDBM50080465'   

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 B7 (Rattus norvegicus)	BDBM50080465 (CHEMBL3422329) Show SMILES CC(C)Sc1nnc2c3ccccc3n(CC(O)=O)c2n1 Show InChI InChI=1S/C14H14N4O2S/c1-8(2)21-14-15-13-12(16-17-14)9-5-3-4-6-10(9)18(13)7-11(19)20/h3-6,8H,7H2,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.41E+4	n/a	n/a	n/a	n/a	n/a	n/a
Slovak Academy of Sciences Curated by ChEMBL					Assay Description Inhibition of Wistar rat kidney aldehyde reductase using D-glucuronate as substrate by spectrophotometry				J Med Chem 58: 2649-57 (2015) Article DOI: 10.1021/jm5015814 BindingDB Entry DOI: 10.7270/Q2WS8VZJ
					More data for this Ligand-Target Pair