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Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50081534
Substrate
n/a
Meas. Tech.
ChEMBL_31158 (CHEMBL646623)
IC50
169000±n/a nM
Citation
 Conway, TT; DeMaster, EG; Goon, DJ; Shirota, FN; Nagasawa, HT Diethylcarbamoylating/nitroxylating agents as dual action inhibitors of aldehyde dehydrogenase: a disulfiram-cyanamide merger. J Med Chem 42:4016-20 (1999) [PubMed]  Article 
Target
Name:
Aldehyde dehydrogenase 1A1
Synonyms:
AL1A1_RAT | Aldh | Aldh1a1
Type:
PROTEIN
Mol. Mass.:
54465.59
Organism:
Rattus norvegicus
Description:
ChEMBL_31158
Residue:
501
Sequence:
MSSPAQPAVPAPLANLKIQHTKIFINNEWHDSVSGKKFPVLNPATEEVICHVEEGDKADVDKAVKAARQAFQIGSPWRTMDASERGRLLNKLADLMERDRLLLATIEAINGGKVFANAYLSDLGGSIKALKYCAGWADKIHGQTIPSDGDIFTFTRREPIGVCGQIIPWNFPLLMFIWKIGPALSCGNTVVVKPAEQTPLTALHMASLIKEAGFPPGVVNIVPGYGPTAGAAISSHMDVDKVAFTGSTQVGKLIKEAAGKSNLKRVTLELGGKSPCIVFADADLDIAVEFAHHGVFYHQGQCCVAASRIFVEESVYDEFVRKSVERAKKYVLGNPLTQGINQGPQIDKEQHDKILDLIESGKKEGAKLECGGGRWGNKGFFVQPTVFSNVTDEMRIAKEEIFGPVQQIMKFKSIDDVIKRANNTTYGLAAGVFTKDLDRAITVSSALQAGVVWVNCYMILSAQCPFGGFKMSGNGRELGEHGLYEYTELKTVAMKISQKNS
  
Inhibitor
Name:
BDBM50081534
Synonyms:
CHEMBL421281 | ethyl [(diethylamino)carbonyl]oxy(phenylsulfonyl)carbamate
Type:
Small organic molecule
Emp. Form.:
C14H20N2O6S
Mol. Mass.:
344.383
SMILES:
CCOC(=O)N(OC(=O)N(CC)CC)S(=O)(=O)c1ccccc1
Structure:
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