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Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50034998
Substrate
n/a
Meas. Tech.
ChEMBL_31156 (CHEMBL646621)
IC50
39000±n/a nM
Citation
 Nagasawa, HT; DeMaster, EG; Goon, DJ; Kawle, SP; Shirota, FN Carbethoxylating agents as inhibitors of aldehyde dehydrogenase. J Med Chem 38:1872-6 (1995) [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:
BDBM50034998
Synonyms:
CHEMBL55595 | Formic acid ethyl ester
Type:
Small organic molecule
Emp. Form.:
C10H10ClNO7S
Mol. Mass.:
323.707
SMILES:
COC(=O)ON(C(=O)OC)S(=O)(=O)c1ccc(Cl)cc1
Structure:
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