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Target
Cholinesterase
Ligand
BDBM50079373
Substrate
n/a
Meas. Tech.
ChEMBL_1470631 (CHEMBL3420218)
IC50
7080±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:
Cholinesterase
Synonyms:
BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase
Type:
Enzyme
Mol. Mass.:
65643.35
Organism:
Horse
Description:
P81908
Residue:
574
Sequence:
EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATKYANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQTGTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQKNIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEARNRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLTDMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPRVSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYYFEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNPNGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAEREWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
  
Inhibitor
Name:
BDBM50079373
Synonyms:
CHEMBL3417004
Type:
Small organic molecule
Emp. Form.:
C22H34ClN3O2
Mol. Mass.:
407.977
SMILES:
COc1cc(N)c(Cl)cc1\C(CCC1CCN(CC2CCCCC2)CC1)=N\O
Structure:
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