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Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM193864
Substrate
n/a
Meas. Tech.
ChEMBL_1715599 (CHEMBL4125648)
IC50
3360±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:
BDBM193864
Synonyms:
3-(4-((Butylamino)methyl)-5-thioxo-4,5-dihydro-1,3,4-oxadiazol- 2-yl)-2H-chromen-2-one (11b)
Type:
Small organic molecule
Emp. Form.:
C16H17N3O3S
Mol. Mass.:
331.389
SMILES:
CCCCNCn1nc(oc1=S)-c1cc2ccccc2oc1=O
Structure:
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