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 = 'BDBM50022343'   

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)	BDBM50022343 ((3-Benzoylamino-benzenesulfonylamino)-acetic acid ...) Show SMILES OC(=O)CNS(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1 Show InChI InChI=1S/C15H14N2O5S/c18-14(19)10-16-23(21,22)13-8-4-7-12(9-13)17-15(20)11-5-2-1-3-6-11/h1-9,16H,10H2,(H,17,20)(H,18,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7.12E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of rat aldose reductase enzyme.				J Med Chem 30: 1595-8 (1987) BindingDB Entry DOI: 10.7270/Q2G15ZTJ
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