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TargetAcetylcholinesterase
LigandBDBM10514
Substrate/Competitorn/a
Meas. Tech.ChEMBL_489450 (CHEMBL982932)
IC50 21.5±n/a nM
Citation Rosini, MSimoni, EBartolini, MCavalli, ACeccarini, LPascu, NMcClymont, DWTarozzi, ABolognesi, MLMinarini, ATumiatti, VAndrisano, VMellor, IRMelchiorre, C Inhibition of acetylcholinesterase, beta-amyloid aggregation, and NMDA receptors in Alzheimer's disease: a promising direction for the multi-target-directed ligands gold rush. J Med Chem51:4381-4 (2008) [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:
BDBM10514
n/a
NameBDBM10514
Synonyms:CHEMBL191758 | N-(3-aminopropyl)-6-chloro-1,2,3,4-tetrahydroacridin-9-amine | N1-(6-chloro-1,2,3,4-tetrahydroacridin-9-yl)propane-1,3-diamine | tacrine (TC) deriv. 15
TypeSmall organic molecule
Emp. Form.C16H20ClN3
Mol. Mass.289.803
SMILESNCCCNc1c2CCCCc2nc2cc(Cl)ccc12
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: