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Target
Acetylcholinesterase
Ligand
BDBM50117579
Substrate
n/a
Meas. Tech.
ChEMBL_28165 (CHEMBL644119)
IC50
139±n/a nM
Citation
 Clark, JK; Cowley, P; Muir, AW; Palin, R; Pow, E; Prosser, AB; Taylor, R; Zhang, MQ Quaternary salts of E2020 analogues as acetylcholinesterase inhibitors for the reversal of neuromuscular block. Bioorg Med Chem Lett 12:2565-8 (2002) [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:
BDBM50117579
Synonyms:
1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-benzo[b]oxepin-7-yl)-propyl]-piperidinium | CHEMBL313582
Type:
Small organic molecule
Emp. Form.:
C26H34NO2
Mol. Mass.:
392.5531
SMILES:
C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3OCCCCc3c2)CC1 |(13.98,-6.77,;12.89,-7.87,;14.22,-8.64,;15.56,-7.87,;15.55,-6.33,;16.88,-5.56,;18.22,-6.33,;18.22,-7.87,;16.89,-8.64,;11.56,-8.64,;10.23,-7.86,;10.24,-6.32,;8.98,-5.68,;7.57,-6.3,;6.32,-5.4,;6.49,-3.86,;4.91,-6.03,;4.76,-7.54,;3.36,-8.17,;2.08,-7.28,;.75,-8.13,;-.79,-7.68,;-1.38,-6.11,;-.53,-4.72,;1.08,-4.53,;2.27,-5.74,;3.67,-5.12,;11.58,-5.56,;12.9,-6.33,)|
Structure:
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