| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50585935 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_2164307 (CHEMBL5049168) |
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| IC50 | 1100±n/a nM |
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| Citation |  Rullo, M; Cipolloni, M; Catto, M; Colliva, C; Miniero, DV; Latronico, T; de Candia, M; Benicchi, T; Linusson, A; Giacchè, N; Altomare, CD; Pisani, L Probing Fluorinated Motifs onto Dual AChE-MAO B Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Early-ADME Studies. J Med Chem65:3962-3977 (2022) [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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| BDBM50585935 |
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| n/a |
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| Name | BDBM50585935 |
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| Synonyms: | CHEMBL5090153 |
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| Type | Small organic molecule |
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| Emp. Form. | C26H24FNO4 |
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| Mol. Mass. | 433.4715 |
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| SMILES | CN(Cc1ccc(COc2ccc3c(CO)cc(=O)oc3c2)cc1)Cc1cccc(F)c1 |
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| Structure | 
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