Reaction Details Report a problem with these data
Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM223466
Substrate
BDBM60952
Meas. Tech.
Inhibiton Assay
pH
7.5±n/a
IC50
10400±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 1A1
Synonyms:
AL1A1_HUMAN | ALDC | ALDH-E1 | ALDH1 | ALDH1A1 | ALHDII | Aldehyde dehydrogenase 1A1 (ALDH1A1) | Aldehyde dehydrogenase family 1 member A1 | Aldehyde dehydrogenase family 1 member A1 (ALDH1A1) | Aldehyde dehydrogenase, cytosolic | PUMB1 | RALDH 1 | RalDH1 | Retinal dehydrogenase 1
Type:
Protein
Mol. Mass.:
54862.21
Organism:
Homo sapiens (Human)
Description:
n/a
Residue:
501
Sequence:
MSSSGTPDLPVLLTDLKIQYTKIFINNEWHDSVSGKKFPVFNPATEEELCQVEEGDKEDVDKAVKAARQAFQIGSPWRTMDASERGRLLYKLADLIERDRLLLATMESMNGGKLYSNAYLNDLAGCIKTLRYCAGWADKIQGRTIPIDGNFFTYTRHEPIGVCGQIIPWNFPLVMLIWKIGPALSCGNTVVVKPAEQTPLTALHVASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDIDKVAFTGSTEVGKLIKEAAGKSNLKRVTLELGGKSPCIVLADADLDNAVEFAHHGVFYHQGQCCIAASRIFVEESIYDEFVRRSVERAKKYILGNPLTPGVTQGPQIDKEQYDKILDLIESGKKEGAKLECGGGPWGNKGYFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSLDDVIKRANNTFYGLSAGVFTKDIDKAITISSALQAGTVWVNCYGVVSAQCPFGGFKMSGNGRELGEYGFHEYTEVKTVTVKISQKNS
  
Inhibitor
Name:
BDBM223466
Synonyms:
US9320722, CD14
Type:
Small organic molecule
Emp. Form.:
C20H21BrN2O2S
Mol. Mass.:
433.362
SMILES:
CCCC1C(C#N)=C(NC(C)=C1C(C)=O)SCC(=O)c1ccc(Br)cc1 |c:6,10|
Structure:
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Substrate
Name:
BDBM60952
Synonyms:
propionaldehyde
Type:
n/a
Emp. Form.:
C3H6O
Mol. Mass.:
58.0791
SMILES:
CCC=O
Structure:
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