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 = 'BDBM50330612'   

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)	BDBM50330612 (CHEMBL1277298 | N-(3,5-Difluoro-4-hydroxyphenyl)-4...) Show SMILES CCNC(=O)Nc1ccc(cc1)S(=O)(=O)Nc1cc(F)c(O)c(F)c1 Show InChI InChI=1S/C15H15F2N3O4S/c1-2-18-15(22)19-9-3-5-11(6-4-9)25(23,24)20-10-7-12(16)14(21)13(17)8-10/h3-8,20-21H,2H2,1H3,(H2,18,19,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.78E+4	n/a	n/a	n/a	n/a	n/a	n/a
Aristotle University of Thessaloniki Curated by ChEMBL					Assay Description Inhibition of Fischer-344 rat lens ALR2 by least-square analysis				J Med Chem 53: 7756-66 (2010) Article DOI: 10.1021/jm101008m BindingDB Entry DOI: 10.7270/Q2ZS2WRM
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