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Target
Acetylcholinesterase
Ligand
BDBM10823
Substrate
BDBM10759
Meas. Tech.
Cholinesterase Inhibition Assay
IC50
1640±n/a nM
Citation
 Sterling, J; Herzig, Y; Goren, T; Finkelstein, N; Lerner, D; Goldenberg, W; Miskolczi, I; Molnar, S; Rantal, F; Tamas, T; Toth, G; Zagyva, A; Zekany, A; Finberg, J; Lavian, G; Gross, A; Friedman, R; Razin, M; Huang, W; Krais, B; Chorev, M; Youdim, MB; Weinstock, M Novel dual inhibitors of AChE and MAO derived from hydroxy aminoindan and phenethylamine as potential treatment for Alzheimer's disease. J Med Chem 45:5260-79 (2002) [PubMed]  Article 
Target
Name:
Acetylcholinesterase
Synonyms:
Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ACES_HUMAN | ACHE
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Human
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
  
Inhibitor
Name:
BDBM10823
Synonyms:
3-{2-[methyl(prop-2-yn-1-yl)amino]propyl}phenyl N,N-dimethylcarbamate | Phenethylamine deriv. 53a
Type:
Small organic molecule
Emp. Form.:
C16H22N2O2
Mol. Mass.:
274.17
SMILES:
CC(Cc1cccc(OC(=O)N(C)C)c1)N(C)CC#C
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM10759
Synonyms:
2-acetoxyethyl(trimethyl)ammonium;perchlorate | 2-acetoxyethyl(trimethyl)ammonium;bromide | acetylcholine chloride | cid_6060 | CHEMBL667 | [2-(acetyloxy)ethyl]trimethylazanium | acetylcholine | US10667515, Compound ACh
Type:
Small Organic Molecule
Emp. Form.:
n/a
Mol. Mass.:
n/a
SMILES:
CC(=O)OCC[N+](C)(C)C
Structure:
Search PDB for entries with ligand similarity: