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Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50035003
Substrate
n/a
Meas. Tech.
ChEMBL_31156 (CHEMBL646621)
IC50
56000.0±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:
BDBM50035003
Synonyms:
CHEMBL294687 | Carbonic acid ethyl ester 1,1,3-trioxo-1,3-dihydro-1lambda*6*-benzo[d]isothiazol-2-yl ester
Type:
Small organic molecule
Emp. Form.:
C10H9NO6S
Mol. Mass.:
271.247
SMILES:
CCOC(=O)ON1C(=O)c2ccccc2S1(=O)=O
Structure:
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