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TargetAcetylcholinesterase
LigandBDBM50234775
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1653858 (CHEMBL4003224)
IC50 2850±n/a nM
Citation Dgachi, YSokolov, OLuzet, VGodyn, JPanek, DBonet, AMartin, HIriepa, IMoraleda, IGarcía-Iriepa, CJanockova, JRichert, LSoukup, OMalawska, BChabchoub, FMarco-Contelles, JIsmaili, L Tetrahydropyranodiquinolin-8-amines as new, non hepatotoxic, antioxidant, and acetylcholinesterase inhibitors for Alzheimer's disease therapy. Eur J Med Chem126:576-589 (2017) [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:
BDBM50234775
n/a
NameBDBM50234775
Synonyms:CHEMBL4103664
TypeSmall organic molecule
Emp. Form.C26H23N3O
Mol. Mass.393.4803
SMILESCc1ccc(cc1)C1c2ccc3cccnc3c2Oc2nc3CCCCc3c(N)c12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: