Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50038843
Substrate
n/a
Meas. Tech.
ChEMBL_640041 (CHEMBL1174255)
IC50
6.7±n/a nM
Citation
 Endo, S; Matsunaga, T; Kuwata, K; Zhao, HT; El-Kabbani, O; Kitade, Y; Hara, A Chromene-3-carboxamide derivatives discovered from virtual screening as potent inhibitors of the tumour maker, AKR1B10. Bioorg Med Chem 18:2485-90 (2010) [PubMed]  Article 
Target
Name:
Aldo-keto reductase family 1 member A1
Synonyms:
AK1A1_HUMAN | AKR1A1 | ALDR1 | ALR | Alcohol dehydrogenase [NADP+] | Aldehyde Reductase (ALR1) | Aldehyde reductase | Aldo-keto reductase family 1 member A1
Type:
Enzyme
Mol. Mass.:
36574.11
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
325
Sequence:
MAASCVLLHTGQKMPLIGLGTWKSEPGQVKAAVKYALSVGYRHIDCAAIYGNEPEIGEALKEDVGPGKAVPREELFVTSKLWNTKHHPEDVEPALRKTLADLQLEYLDLYLMHWPYAFERGDNPFPKNADGTICYDSTHYKETWKALEALVAKGLVQALGLSNFNSRQIDDILSVASVRPAVLQVECHPYLAQNELIAHCQARGLEVTAYSPLGSSDRAWRDPDEPVLLEEPVVLALAEKYGRSPAQILLRWQVQRKVICIPKSITPSRILQNIKVFDFTFSPEEMKQLNALNKNWRYIVPMLTVDGKRVPRDAGHPLYPFNDPY
  
Inhibitor
Name:
BDBM50038843
Synonyms:
(4R)-2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | (4R)-2-[(4-bromo-2-fluorophenyl)methyl]-6-fluoro-2,3-dihydro-1H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'-tetrone | 2-(4-bromo-2-fluorobenzyl)-6-fluoro-1H,2'H,5'H-spiro[isoquinoline-4,3'-pyrrolidine]-1,2',3,5'(2H)-tetrone | 2-(4-bromo-2-fluorobenzyl)-6-fluorospiro[1,2,3,4-tetrahydroisoquinoline-4,3'-(tetrahydro-1'H-pyrrole)]-1,2',3,5'-tetraone | 2[4-BROMO-2-FLUOROPHENYL)METHYL]-6-FLUOROSPIRO[ISOQUINOLINE-4-(1H),3'-PYRROLIDINE]-1,2',3,5'(2H)-TETRONE | CHEMBL292963 | minalrestat
Type:
Small organic molecule
Emp. Form.:
C19H11BrF2N2O4
Mol. Mass.:
449.202
SMILES:
Fc1ccc2C(=O)N(Cc3ccc(Br)cc3F)C(=O)[C@]3(CC(=O)NC3=O)c2c1 |r|
Structure:
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