Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase, dimeric NADP-preferring
Ligand
BDBM62170
Substrate
n/a
Meas. Tech.
Inhibiton Assay
pH
7.5±n/a
IC50
1200±200 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:
AL3A1_HUMAN | ALDH3 | ALDH3A1 | Aldehyde dehydrogenase 3A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) | Aldehyde dehydrogenase family 3 member A1 (ALDH3A1) (Q122A)
Type:
Protein
Mol. Mass.:
50394.38
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
453
Sequence:
MSKISEAVKRARAAFSSGRTRPLQFRIQQLEALQRLIQEQEQELVGALAADLHKNEWNAYYEEVVYVLEEIEYMIQKLPEWAADEPVEKTPQTQQDELYIHSEPLGVVLVIGTWNYPFNLTIQPMVGAIAAGNSVVLKPSELSENMASLLATIIPQYLDKDLYPVINGGVPETTELLKERFDHILYTGSTGVGKIIMTAAAKHLTPVTLELGGKSPCYVDKNCDLDVACRRIAWGKFMNSGQTCVAPDYILCDPSIQNQIVEKLKKSLKEFYGEDAKKSRDYGRIISARHFQRVMGLIEGQKVAYGGTGDAATRYIAPTILTDVDPQSPVMQEEIFGPVLPIVCVRSLEEAIQFINQREKPLALYMFSSNDKVIKKMIAETSSGGVAANDVIVHITLHSLPFGGVGNSGMGSYHGKKSFETFSHRRSCLVRPLMNDEGLKVRYPPSPAKMTQH
  
Inhibitor
Name:
BDBM62170
Synonyms:
1-(4-chlorophenyl)sulfonyl-2-benzimidazolamine | 1-(4-chlorophenyl)sulfonylbenzimidazol-2-amine | MLS-0425609.0001 | US9328112, B36 | [1-(4-chlorophenyl)sulfonylbenzimidazol-2-yl]amine | cid_1088439
Type:
Small organic molecule
Emp. Form.:
C13H10ClN3O2S
Mol. Mass.:
307.755
SMILES:
Nc1nc2ccccc2n1S(=O)(=O)c1ccc(Cl)cc1
Structure:
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