Reaction Details |
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Target | Cholinesterase |
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Ligand | BDBM50396009 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_858573 (CHEMBL2166018) |
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IC50 | 5170±n/a nM |
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Citation | Brunhofer, G; Fallarero, A; Karlsson, D; Batista-Gonzalez, A; Shinde, P; Gopi Mohan, C; Vuorela, P Exploration of natural compounds as sources of new bifunctional scaffolds targeting cholinesterases and beta amyloid aggregation: the case of chelerythrine. Bioorg Med Chem20:6669-79 (2012) [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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BDBM50396009 |
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n/a |
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Name | BDBM50396009 |
Synonyms: | CHEMBL2163793 |
Type | Small organic molecule |
Emp. Form. | C21H24N2O2 |
Mol. Mass. | 336.4275 |
SMILES | CCC1=C[C@@H]2CN3CCc4c([nH]c5ccccc45)[C@@](C2)([C@@H]13)C(=O)OC |r,t:2,THB:2:20:5.4.19:7.8.9.10| |
Structure |
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