| Reaction Details |
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 | Report a problem with these data |
| Target | Cholinesterase |
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| Ligand | BDBM50160255 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_1565847 (CHEMBL3789710) |
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| IC50 | 22±n/a nM |
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| Citation |  Sawatzky, E; Wehle, S; Kling, B; Wendrich, J; Bringmann, G; Sotriffer, CA; Heilmann, J; Decker, M Discovery of Highly Selective and Nanomolar Carbamate-Based Butyrylcholinesterase Inhibitors by Rational Investigation into Their Inhibition Mode. J Med Chem59:2067-82 (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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| BDBM50160255 |
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| n/a |
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| Name | BDBM50160255 |
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| Synonyms: | CHEMBL3785189 |
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| Type | Small organic molecule |
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| Emp. Form. | C22H31N3O2S |
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| Mol. Mass. | 401.565 |
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| SMILES | CCCCCCCNC(=O)Oc1ccc2N(C)C(N(C)Cc2c1)c1ccsc1 |
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| Structure | 
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