Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM8960 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_793319 (CHEMBL1931822) |
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IC50 | 7400±n/a nM |
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Citation | Bolea, I; Juárez-Jiménez, J; de Los Ríos, C; Chioua, M; Pouplana, R; Luque, FJ; Unzeta, M; Marco-Contelles, J; Samadi, A Synthesis, biological evaluation, and molecular modeling of donepezil and N-[(5-(benzyloxy)-1-methyl-1H-indol-2-yl)methyl]-N-methylprop-2-yn-1-amine hybrids as new multipotent cholinesterase/monoamine oxidase inhibitors for the treatment of Alzheimer's disease. J Med Chem54:8251-70 (2011) [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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BDBM8960 |
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n/a |
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Name | BDBM8960 |
Synonyms: | (+/-)-2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-indan-1-one | 2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydro-1H-inden-1-one | Aricept | Aricept odt | CHEMBL1678 | CHEMBL2337271 | CHEMBL502 | DONEPEZIL HYDROCHLORIDE | Donepezil | Donepzil | E2020 | US8999994, Donepezil | US9346818, DPH | US9586925, Donepezil | US9663465, Donepezil |
Type | Small organic molecule |
Emp. Form. | C24H29NO3 |
Mol. Mass. | 379.492 |
SMILES | COc1cc2CC(CC3CCN(Cc4ccccc4)CC3)C(=O)c2cc1OC |
Structure |
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