Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1' and Ligand = 'BDBM50126786'   

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 B1 (Rattus norvegicus)	BDBM50126786 ((1-Benzyl-2-oxo-2,3-dihydro-1H-indol-3-yl)-cyano-a...) Show SMILES OC(=O)C(C#N)C1C(=O)N(Cc2ccccc2)c2ccccc12 Show InChI InChI=1S/C18H14N2O3/c19-10-14(18(22)23)16-13-8-4-5-9-15(13)20(17(16)21)11-12-6-2-1-3-7-12/h1-9,14,16H,11H2,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Università di Pisa Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase (ALR2) from rat lens extraction.				J Med Chem 46: 1419-28 (2003) Article DOI: 10.1021/jm030762f BindingDB Entry DOI: 10.7270/Q21G0KN9
					More data for this Ligand-Target Pair