Reaction Details Report a problem with these data
Target
Acetylcholinesterase
Ligand
BDBM10732
Substrate
BDBM10759
Meas. Tech.
Cholinesterase Inhibition Assay
pH
7.4±n/a
Temperature
310.15±n/a K
IC50
300±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:
ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE)
Type:
Enzyme
Mol. Mass.:
67792.70
Organism:
Homo sapiens (Human)
Description:
P22303
Residue:
614
Sequence:
MRPPQCLLHTPSLASPLLLLLLWLLGGGVGAEGREDAELLVTVRGGRLRGIRLKTPGGPVSAFLGIPFAEPPMGPRRFLPPEPKQPWSGVVDATTFQSVCYQYVDTLYPGFEGTEMWNPNRELSEDCLYLNVWTPYPRPTSPTPVLVWIYGGGFYSGASSLDVYDGRFLVQAERTVLVSMNYRVGAFGFLALPGSREAPGNVGLLDQRLALQWVQENVAAFGGDPTSVTLFGESAGAASVGMHLLSPPSRGLFHRAVLQSGAPNGPWATVGMGEARRRATQLAHLVGCPPGGTGGNDTELVACLRTRPAQVLVNHEWHVLPQESVFRFSFVPVVDGDFLSDTPEALINAGDFHGLQVLVGVVKDEGSYFLVYGAPGFSKDNESLISRAEFLAGVRVGVPQVSDLAAEAVVLHYTDWLHPEDPARLREALSDVVGDHNVVCPVAQLAGRLAAQGARVYAYVFEHRASTLSWPLWMGVPHGYEIEFIFGIPLDPSRNYTAEEKIFAQRLMRYWANFARTGDPNEPRDPKAPQWPPYTAGAQQYVSLDLRPLEVRRGLRAQACAFWNRFLPKLLSATDTLDEAERQWKAEFHRWSSYMVHWKNQFDHYSKQDRCSDL
Inhibitor
Name:
BDBM10732
Synonyms:
3-amino-2,3-dihydro-1H-inden-5-yl N-(4-methoxyphenyl)-N-methylcarbamate | Aminoindan deriv. 7f
Type:
Small organic molecule
Emp. Form.:
C18H20N2O3
Mol. Mass.:
312.363
SMILES:
COc1ccc(cc1)N(C)C(=O)Oc1ccc2CCC(N)c2c1
Substrate
Name:
BDBM10759
Synonyms:
2-acetoxyethyl(trimethyl)ammonium;bromide | 2-acetoxyethyl(trimethyl)ammonium;perchlorate | CHEMBL667 | US10667515, Compound ACh | [2-(acetyloxy)ethyl]trimethylazanium | acetylcholine | acetylcholine chloride | cid_6060
Type:
Small Organic Molecule
Emp. Form.:
C7H16NO2
Mol. Mass.:
146.2069
SMILES:
CC(=O)OCC[N+](C)(C)C