| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50029921 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1627941 (CHEMBL3870526) |
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| IC50 | 31100±n/a nM |
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| Citation |  Wang, ZM; Cai, P; Liu, QH; Xu, DQ; Yang, XL; Wu, JJ; Kong, LY; Wang, XB Rational modification of donepezil as multifunctional acetylcholinesterase inhibitors for the treatment of Alzheimer's disease. Eur J Med Chem123:282-297 (2016) [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 |
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| Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase |
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| Type: | Enzyme |
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| Mol. Mass.: | 65643.35 |
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| Organism: | Equus caballus (Horse) |
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| Description: | P81908 |
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| Residue: | 574 |
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| Sequence: | EEDIIITTKNGKVRGMNLPVLGGTVTAFLGIPYAQPPLGRLRFKKPQSLTKWSNIWNATK
YANSCYQNTDQSFPGFLGSEMWNPNTELSEDCLYLNVWIPAPKPKNATVMIWIYGGGFQT
GTSSLPVYDGKFLARVERVIVVSMNYRVGALGFLALSENPEAPGNMGLFDQQLALQWVQK
NIAAFGGNPRSVTLFGESAGAASVSLHLLSPRSQPLFTRAILQSGSSNAPWAVTSLYEAR
NRTLTLAKRMGCSRDNETEMIKCLRDKDPQEILLNEVFVVPYDTLLSVNFGPTVDGDFLT
DMPDTLLQLGQFKRTQILVGVNKDEGTAFLVYGAPGFSKDNNSIITRKEFQEGLKIFFPR
VSEFGRESILFHYMDWLDDQRAENYREALDDVVGDYNIICPALEFTRKFSELGNDAFFYY
FEHRSTKLPWPEWMGVMHGYEIEFVFGLPLERRVNYTRAEEILSRSIMKRWANFAKYGNP
NGTQNNSTRWPVFKSTEQKYLTLNTESPKVYTKLRAQQCRFWTLFFPKVLELTGNIDEAE
REWKAGFHRWNNYMMDWKNQFNDYTSKKESCSDF
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| BDBM50029921 |
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| n/a |
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| Name | BDBM50029921 |
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| Synonyms: | 5,6-Dimethoxy-2-[1-(2-nitro-benzyl)-piperidin-4-ylmethyl]-indan-1-one | CHEMBL145361 |
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| Type | Small organic molecule |
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| Emp. Form. | C24H28N2O5 |
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| Mol. Mass. | 424.4895 |
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| SMILES | COc1cc2CC(CC3CCN(Cc4ccccc4[N+]([O-])=O)CC3)C(=O)c2cc1OC |
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| Structure | 
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