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 = 'BDBM50008436'   

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 (Homo sapiens (Human))	BDBM50008436 (CHEMBL141013 | {3-[(2-Bromo-5-trifluoromethyl-phen...) Show SMILES OC(=O)Cc1nn(CC(=S)Nc2cc(ccc2Br)C(F)(F)F)c(=O)c2ccccc12 Show InChI InChI=1S/C19H13BrF3N3O3S/c20-13-6-5-10(19(21,22)23)7-15(13)24-16(30)9-26-18(29)12-4-2-1-3-11(12)14(25-26)8-17(27)28/h1-7H,8-9H2,(H,24,30)(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc Curated by ChEMBL					Assay Description In vitro inhibitory activity against aldose reductase isolated from human placenta				J Med Chem 35: 457-65 (1992) BindingDB Entry DOI: 10.7270/Q28051K1
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