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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM193869
Substrate
n/a
Meas. Tech.
ChEMBL_1715600 (CHEMBL4125649)
IC50
340±n/a nM
Citation
 Ibrar, A; Shehzadi, SA; Saeed, F; Khan, I Developing hybrid molecule therapeutics for diverse enzyme inhibitory action: Active role of coumarin-based structural leads in drug discovery. Bioorg Med Chem 26:3731-3762 (2018) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member B1
Synonyms:
1.1.1.21 | 1.1.1.300 | 1.1.1.372 | 1.1.1.54 | 20-alpha-HSD | 20-alpha-hydroxysteroid dehydrogenase | AKR1B1 | ALDR_BOVIN | Aldehyde reductase | Aldo-keto reductase family 1 member B1 | Aldose reductase
Type:
PROTEIN
Mol. Mass.:
35917.32
Organism:
Bos taurus
Description:
ChEMBL_17058
Residue:
315
Sequence:
AHNIVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLALQAKLQEKVVKREDLFIVSKLWCTYHDKDLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKDFFPLDEDGNVIPSEKDFVDTWTAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIECHPYLTQEKLIQYCNSKGIVVTAYSPLGSPDRPWAKPEDPSILEDPRIKAIADKYNKTTAQVLIRFPIQRNLIVIPKSVTPERIAENFQVFDFELDKEDMNTLLSYNRDWRACALVSCASHRDYPFHEEF
  
Inhibitor
Name:
BDBM193869
Synonyms:
3-(4-(Morpholinomethyl)-5-thioxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)-2H-chromen-2-one (11g)
Type:
Small organic molecule
Emp. Form.:
C16H15N3O4S
Mol. Mass.:
345.373
SMILES:
O=c1oc2ccccc2cc1-c1nn(CN2CCOCC2)c(=S)o1
Structure:
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