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TargetAcetylcholinesterase
LigandBDBM10826
Substrate/CompetitorBDBM10759
Meas. Tech.Cholinesterase Inhibition Assay
IC50 3060±n/a nM
Citation Sterling, JHerzig, YGoren, TFinkelstein, NLerner, DGoldenberg, WMiskolczi, IMolnar, SRantal, FTamas, TToth, GZagyva, AZekany, AFinberg, JLavian, GGross, AFriedman, RRazin, MHuang, WKrais, BChorev, MYoudim, MBWeinstock, M Novel dual inhibitors of AChE and MAO derived from hydroxy aminoindan and phenethylamine as potential treatment for Alzheimer's disease. J Med Chem45:5260-79 (2002) [PubMed]  Article
More Info.:Get all data from this article,   Solution Info,  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:
BDBM10826
BDBM10759
NameBDBM10826
Synonyms:3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N-hexyl-N-methylcarbamate | CHEMBL356385 | Phenethylamine deriv. 53d
TypeSmall organic molecule
Emp. Form.C21H32N2O2
Mol. Mass.344.491
SMILESCCCCCCN(C)C(=O)Oc1cccc(CC(C)N(C)CC#C)c1
Structure
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