Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, mitochondrial
Ligand
BDBM50042986
Substrate
n/a
Meas. Tech.
ChEMBL_31176 (CHEMBL641141)
IC50
7000±n/a nM
Citation
 Gao, GY; Li, DJ; Keung, WM Synthesis of potential antidipsotropic isoflavones: inhibitors of the mitochondrial monoamine oxidase-aldehyde dehydrogenase pathway. J Med Chem 44:3320-8 (2001) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase, mitochondrial
Synonyms:
ALDH class 2 | ALDH-E2 | ALDH2 | ALDH2_HUMAN | ALDHI | ALDM | Aldehyde dehydrogenase (ALDH2)
Type:
Enzyme
Mol. Mass.:
56382.67
Organism:
Homo sapiens (Human)
Description:
P05091
Residue:
517
Sequence:
MLRAAARFGPRLGRRLLSAAATQAVPAPNQQPEVFCNQIFINNEWHDAVSRKTFPTVNPSTGEVICQVAEGDKEDVDKAVKAARAAFQLGSPWRRMDASHRGRLLNRLADLIERDRTYLAALETLDNGKPYVISYLVDLDMVLKCLRYYAGWADKYHGKTIPIDGDFFSYTRHEPVGVCGQIIPWNFPLLMQAWKLGPALATGNVVVMKVAEQTPLTALYVANLIKEAGFPPGVVNIVPGFGPTAGAAIASHEDVDKVAFTGSTEIGRVIQVAAGSSNLKRVTLELGGKSPNIIMSDADMDWAVEQAHFALFFNQGQCCCAGSRTFVQEDIYDEFVERSVARAKSRVVGNPFDSKTEQGPQVDETQFKKILGYINTGKQEGAKLLCGGGIAADRGYFIQPTVFGDVQDGMTIAKEEIFGPVMQILKFKTIEEVVGRANNSTYGLAAAVFTKDLDKANYLSQALQAGTVWVNCYDVFGAQSPFGGYKMSGSGRELGEYGLQAYTEVKTVTVKVPQKNS
  
Inhibitor
Name:
BDBM50042986
Synonyms:
(E)-1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4-Hydroxy-phenyl)-3-phenyl-propenone | 1-(4-hydroxyphenyl)-3-phenylprop-2-en-1-one | CHEMBL276473
Type:
Small organic molecule
Emp. Form.:
C15H12O2
Mol. Mass.:
224.2546
SMILES:
Oc1ccc(cc1)C(=O)\C=C\c1ccccc1
Structure:
Search PDB for entries with ligand similarity: