Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase family 1 member A3
Ligand
BDBM50572095
Substrate
n/a
Meas. Tech.
ChEMBL_2116258 (CHEMBL4825199)
IC50
590±n/a nM
Citation
 Ma, Z; Jiang, L; Li, B; Liang, D; Feng, Y; Liu, L; Jiang, C Discovery of benzimidazole derivatives as potent and selective aldehyde dehydrogenase 1A1 (ALDH1A1) inhibitors with glucose consumption improving activity. Bioorg Med Chem 46:0 (2021) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase family 1 member A3
Synonyms:
AL1A3_HUMAN | ALDH1A3 | ALDH6 | Aldehyde dehydrogenase 6 | Aldehyde dehydrogenase family 1 member A3 | RALDH-3 | RalDH3 | Retinaldehyde dehydrogenase 3
Type:
PROTEIN
Mol. Mass.:
56110.85
Organism:
Homo sapiens (Human)
Description:
ChEMBL_109700
Residue:
512
Sequence:
MATANGAVENGQPDRKPPALPRPIRNLEVKFTKIFINNEWHESKSGKKFATCNPSTREQICEVEEGDKPDVDKAVEAAQVAFQRGSPWRRLDALSRGRLLHQLADLVERDRATLAALETMDTGKPFLHAFFIDLEGCIRTLRYFAGWADKIQGKTIPTDDNVVCFTRHEPIGVCGAITPWNFPLLMLVWKLAPALCCGNTMVLKPAEQTPLTALYLGSLIKEAGFPPGVVNIVPGFGPTVGAAISSHPQINKIAFTGSTEVGKLVKEAASRSNLKRVTLELGGKNPCIVCADADLDLAVECAHQGVFFNQGQCCTAASRVFVEEQVYSEFVRRSVEYAKKRPVGDPFDVKTEQGPQIDQKQFDKILELIESGKKEGAKLECGGSAMEDKGLFIKPTVFSEVTDNMRIAKEEIFGPVQPILKFKSIEEVIKRANSTDYGLTAAVFTKNLDKALKLASALESGTVWINCYNALYAQAPFGGFKMSGNGRELGEYALAEYTEVKTVTIKLGDKNP
  
Inhibitor
Name:
BDBM50572095
Synonyms:
CHEMBL4862473
Type:
Small organic molecule
Emp. Form.:
C24H25F3N4O
Mol. Mass.:
442.4767
SMILES:
FC(F)(F)c1cccc(Cn2c(CN3CCN(CC3)C(=O)C3CC3)nc3ccccc23)c1
Structure:
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