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Target
Acetylcholinesterase
Ligand
BDBM50117588
Substrate
n/a
Meas. Tech.
ChEMBL_28165 (CHEMBL644119)
IC50
66±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:
BDBM50117588
Synonyms:
1-Benzyl-4-[3-(2,3-dihydro-benzofuran-5-yl)-3-oxo-propyl]-1-methyl-piperidinium | CHEMBL86835
Type:
Small organic molecule
Emp. Form.:
C24H30NO2
Mol. Mass.:
364.5
SMILES:
C[N@+]1(Cc2ccccc2)CC[C@H](CCC(=O)c2ccc3OCCc3c2)CC1 |wU:11.12,1.0,wD:1.1,(9.94,-2.22,;9.95,-.68,;11.28,-1.45,;12.62,-.68,;13.95,-1.45,;15.28,-.68,;15.28,.86,;13.94,1.63,;12.61,.86,;9.95,.86,;8.64,1.63,;7.3,.88,;6.04,1.52,;4.63,.9,;3.38,1.8,;3.55,3.34,;1.97,1.17,;1.82,-.35,;.42,-.98,;-.86,-.09,;-2.37,-.4,;-3.14,.96,;-2.09,2.12,;-.67,1.46,;.73,2.08,;7.29,-.66,;8.62,-1.45,)|
Structure:
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