Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Aldo-keto reductase family 1 member B1 [K65Q]' and Ligand = 'BDBM50226991'   

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 [K65Q] (Bos taurus (Cattle))	BDBM50226991 (CHEMBL419474) Show SMILES Clc1cc2c(OCCC22NC(=O)NC2=O)c2ccccc12 Show InChI InChI=1S/C15H11ClN2O3/c16-11-7-10-12(9-4-2-1-3-8(9)11)21-6-5-15(10)13(19)17-14(20)18-15/h1-4,7H,5-6H2,(H2,17,18,19,20)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Central Research Curated by ChEMBL					Assay Description In vitro inhibition of partially purified calf lens aldose reductase				J Med Chem 31: 230-43 (1988) BindingDB Entry DOI: 10.7270/Q27D2VQF
					More data for this Ligand-Target Pair