| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50306336 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_609569 (CHEMBL1073822) |
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| IC50 | 17180±n/a nM |
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| Citation |  Vitorovic-Todorovic, MD; Juranic, IO; Mandic, LM; Drakulic, BJ 4-Aryl-4-oxo-N-phenyl-2-aminylbutyramides as acetyl- and butyrylcholinesterase inhibitors. Preparation, anticholinesterase activity, docking study, and 3D structure-activity relationship based on molecular interaction fields. Bioorg Med Chem18:1181-93 (2010) [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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| BDBM50306336 |
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| n/a |
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| Name | BDBM50306336 |
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| Synonyms: | 4-(2,5-Dimethylphenyl)-4-oxo-N-phenyl-2-(R,S)-(1-piperidinyl)butyramide | CHEMBL596896 |
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| Type | Small organic molecule |
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| Emp. Form. | C23H28N2O2 |
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| Mol. Mass. | 364.4806 |
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| SMILES | Cc1ccc(C)c(c1)C(=O)CC(N1CCCCC1)C(=O)Nc1ccccc1 |
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| Structure | 
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