Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM50412294
Substrate
n/a
Meas. Tech.
ChEMBL_490576 (CHEMBL981183)
IC50
159.96±n/a nM
Citation
 Mercader, AG; Duchowicz, PR; Fernández, FM; Castro, EA; Bennardi, DO; Autino, JC; Romanelli, GP QSAR prediction of inhibition of aldose reductase for flavonoids. Bioorg Med Chem 16:7470-6 (2008) [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:
BDBM50412294
Synonyms:
CHEMBL479077
Type:
Small organic molecule
Emp. Form.:
C19H18O7
Mol. Mass.:
358.342
SMILES:
COc1c(OC)c(OC)c2c(oc(cc2=O)-c2ccc(O)cc2)c1OC
Structure:
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