Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50079376 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_1470631 (CHEMBL3420218) |
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IC50 | 7420±n/a nM |
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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 Chem58:3172-87 (2015) [PubMed] Article |
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More Info.: | Get all data from this article, Assay Method |
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Cholinesterase |
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Name: | Cholinesterase |
Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
Type: | Enzyme |
Mol. Mass.: | 65643.35 |
Organism: | Equus caballus (Horse) |
Description: | P81908 |
Residue: | 574 |
Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
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BDBM50079376 |
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n/a |
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Name | BDBM50079376 |
Synonyms: | CHEMBL3417005 |
Type | Small organic molecule |
Emp. Form. | C23H36ClN3O2 |
Mol. Mass. | 422.004 |
SMILES | CO\N=C(/CCC1CCN(CC2CCCCC2)CC1)c1cc(Cl)c(N)cc1OC |
Structure |
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