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Target
Acetylcholinesterase
Ligand
BDBM50079364
Substrate
n/a
Meas. Tech.
ChEMBL_1470629 (CHEMBL3420216)
IC50
577±n/a nM
Citation
 Rochais, C; Lecoutey, C; Gaven, F; Giannoni, P; Hamidouche, K; Hedou, D; Dubost, E; Genest, D; Yahiaoui, S; Freret, T; Bouet, V; Dauphin, F; Sopkova de Oliveira Santos, J; Ballandonne, C; Corvaisier, S; Malzert-Fréon, A; Legay, R; Boulouard, M; Claeysen, S; Dallemagne, P Novel multitarget-directed ligands (MTDLs) with acetylcholinesterase (AChE) inhibitory and serotonergic subtype 4 receptor (5-HT4R) agonist activities as potential agents against Alzheimer's disease: the design of donecopride. J Med Chem 58:3172-87 (2015) [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:
BDBM50079364
Synonyms:
CHEMBL3416995 | US9663465, 7
Type:
Small organic molecule
Emp. Form.:
C20H29ClN2O2
Mol. Mass.:
364.909
SMILES:
COc1cc(N)c(Cl)cc1C(=O)CCC1CCN(CC2CCC2)CC1
Structure:
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