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Target
Acetylcholinesterase
Ligand
BDBM50108415
Substrate
n/a
Meas. Tech.
ChEBML_28306
IC50
1300±n/a nM
Citation
 Grove, SJ; Kaur, J; Muir, AW; Pow, E; Tarver, GJ; Zhang, MQ Oxyaniliniums as acetylcholinesterase inhibitors for the reversal of neuromuscular block. Bioorg Med Chem Lett 12:193-6 (2001) [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:
BDBM50108415
Synonyms:
Benzyl-{4-[3-(3,4-dimethoxy-phenyl)-3-oxo-propyl]-phenyl}-dimethyl-ammonium; bromide | CHEMBL300170
Type:
Small organic molecule
Emp. Form.:
C26H30NO3
Mol. Mass.:
404.5208
SMILES:
COc1ccc(cc1OC)C(=O)CCc1ccc(cc1)[N+](C)(C)Cc1ccccc1
Structure:
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