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TargetAcetylcholinesterase
LigandBDBM50139053
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1549987 (CHEMBL3755285)
IC50 5650±n/a nM
Citation Lemes, LFde Andrade Ramos, Gde Oliveira, ASda Silva, FMde Castro Couto, Gda Silva Boni, MGuimarães, MJSouza, INBartolini, MAndrisano, Vdo Nascimento Nogueira, PCSilveira, ERBrand, GDSoukup, OKorábecný, JRomeiro, NCCastro, NGBolognesi, MLRomeiro, LA Cardanol-derived AChE inhibitors: Towards the development of dual binding derivatives for Alzheimer's disease. Eur J Med Chem108:687-700 (2016) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Acetylcholinesterase
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:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPV
SAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPN
RELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSM
NYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASV
GMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTEL
VACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVG
VVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPE
DPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGY
EIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQ
YVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKN
QFDHYSKQDRCSDL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50139053
n/a
NameBDBM50139053
Synonyms:CHEMBL3752227
TypeSmall organic molecule
Emp. Form.C25H37NO2
Mol. Mass.383.5668
SMILESCCN(CCCCCCCCc1cccc(OC)c1)Cc1ccccc1OC
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: