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Target
Aldehyde dehydrogenase 1A1
Ligand
BDBM50035000
Substrate
n/a
Meas. Tech.
ChEMBL_31156 (CHEMBL646621)
IC50
740000±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:
BDBM50035000
Synonyms:
CHEMBL55517 | Dicarbonic acid diethyl ester | Diethyl oxydiformate | Diethyl pyrocarbonic acid | Ethyl pyrocarbonate | Oxydiformic acid diethyl ester | Pyrocarbonate d'ethyle | Pyrocarbonic acid diethyl ester | Pyrokohlensaeure diaethyl ester | diethyl dicarbonate | diethyl pyrocarbonate
Type:
Small organic molecule
Emp. Form.:
C6H10O5
Mol. Mass.:
162.1406
SMILES:
CCOC(=O)OC(=O)OCC
Structure:
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