Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member B1
Ligand
BDBM193852
Substrate
n/a
Meas. Tech.
ChEBML_1715600
IC50
110±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:
BDBM193852
Synonyms:
(E)-3-(2-(2-(1-(4-bromophenyl)ethylidene)hydrazinyl)thiazol-4-yl)-2H-chromen-2-one (6e)
Type:
Small organic molecule
Emp. Form.:
C20H14BrN3O2S
Mol. Mass.:
440.313
SMILES:
C\C(=N/Nc1nc(cs1)-c1cc2ccccc2oc1=O)c1ccc(Br)cc1
Structure:
Search PDB for entries with ligand similarity: