Reaction Details Report a problem with these data
Target
Aldo-keto reductase family 1 member A1
Ligand
BDBM50241817
Substrate
n/a
Meas. Tech.
ChEMBL_1670543 (CHEMBL4020431)
IC50
1500±n/a nM
Citation
 Endo, S; Xia, S; Suyama, M; Morikawa, Y; Oguri, H; Hu, D; Ao, Y; Takahara, S; Horino, Y; Hayakawa, Y; Watanabe, Y; Gouda, H; Hara, A; Kuwata, K; Toyooka, N; Matsunaga, T; Ikari, A Synthesis of Potent and Selective Inhibitors of Aldo-Keto Reductase 1B10 and Their Efficacy against Proliferation, Metastasis, and Cisplatin Resistance of Lung Cancer Cells. J Med Chem 60:8441-8455 (2017) [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:
BDBM50241817
Synonyms:
CHEMBL4081954
Type:
Small organic molecule
Emp. Form.:
C19H17NO5
Mol. Mass.:
339.342
SMILES:
Oc1ccc(CCCNC(=O)c2cc3ccc(O)cc3oc2=O)cc1
Structure:
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