Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM223468
Substrate
BDBM60953
Meas. Tech.
Inhibiton Assay
pH
7.5000±n/a
IC50
3700±n/a nM
Comments
extracted
Citation
 Hurley, TD Regulators of aldehyde dehydrogenase ALDH3A1 and related therapeutic methods US Patent  US9320722 Publication Date 4/26/2016 
Target
Name:
Aldehyde dehydrogenase, dimeric NADP-preferring
Synonyms:
Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | AL3A1_HUMAN | ALDH3A1 | ALDH3 | Aldehyde dehydrogenase 3A1 (ALDH3A1)
Type:
Protein
Mol. Mass.:
50394.38
Organism:
Human
Description:
n/a
Residue:
453
Sequence:
MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
  
Inhibitor
Name:
BDBM223468
Synonyms:
US9320722, CB1
Type:
Small organic molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
Clc1ccc(OCCCCSC#N)cc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM60953
Synonyms:
benzaldehyde | BDBM50139371
Type:
n/a
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
c1ccc(cc1)C=O
Structure:
Search PDB for entries with ligand similarity: