Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM50025249
Substrate
n/a
Meas. Tech.
ChEMBL_28157 (CHEMBL644112)
IC50
>1000000±n/a nM
Citation
 Bedford, CD; Howd, RA; Dailey, OD; Miller, A; Nolen, HW; Kenley, RA; Kern, JR; Winterle, JS Nonquaternary cholinesterase reactivators. 3. 3(5)-Substituted 1,2,4-oxadiazol-5(3)-aldoximes and 1,2,4-oxadiazole-5(3)-thiocarbohydroximates as reactivators of organophosphonate-inhibited eel and human acetylcholinesterase in vitro. J Med Chem 29:2174-83 (1986) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM50025249
Synonyms:
(E)-3-Methyl-[1,2,4]oxadiazole-5-carbaldehyde oxime | (Z)-3-Methyl-[1,2,4]oxadiazole-5-carbaldehyde oxime | 3-Methyl-[1,2,4]oxadiazole-5-carbaldehyde oxime | CHEMBL278826
Type:
Small organic molecule
Emp. Form.:
C4H5N3O2
Mol. Mass.:
127.1014
SMILES:
Cc1noc(CN=O)n1
Structure:
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