Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50022181
Substrate
n/a
Meas. Tech.
ChEMBL_31926 (CHEMBL642969)
IC50
2100±n/a nM
Citation
 Brubaker, AN; DeRuiter, J; Whitmer, WL Synthesis and rat lens aldose reductase inhibitory activity of some benzopyran-2-ones. J Med Chem 29:1094-9 (1986) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
ALDR_RAT | Akr1b1 | Akr1b4 | Aldose reductase | Aldr1
Type:
PROTEIN
Mol. Mass.:
35797.87
Organism:
Rattus norvegicus
Description:
ChEMBL_1512484
Residue:
316
Sequence:
MASHLELNNGTKMPTLGLGTWKSPPGQVTEAVKVAIDMGYRHIDCAQVYQNEKEVGVALQEKLKEQVVKRQDLFIVSKLWCTFHDQSMVKGACQKTLSDLQLDYLDLYLIHWPTGFKPGPDYFPLDASGNVIPSDTDFVDTWTAMEQLVDEGLVKAIGVSNFNPLQIERILNKPGLKYKPAVNQIECHPYLTQEKLIEYCHCKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKEIAAKYNKTTAQVLIRFPIQRNLVVIPKSVTPARIAENFKVFDFELSNEDMATLLSYNRNWRVCALMSCAKHKDYPFHAEV
  
Inhibitor
Name:
BDBM50022181
Synonyms:
3-(7-Methoxy-2-oxo-2H-chromen-4-yl)-propionic acid | CHEMBL276641
Type:
Small organic molecule
Emp. Form.:
C13H12O5
Mol. Mass.:
248.2314
SMILES:
COc1ccc2c(CCC(O)=O)cc(=O)oc2c1
Structure:
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