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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carboxylic ester hydrolase | ||
| Ligand | BDBM50342875 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745139 (CHEMBL1772318) | ||
| IC50 | 671±n/a nM | ||
| Citation |  Conejo-García, A; Pisani, L; Núñez, Mdel C; Catto, M; Nicolotti, O; Leonetti, F; Campos, JM; Gallo, MA; Espinosa, A; Carotti, A Homodimeric bis-quaternary heterocyclic ammonium salts as potent acetyl- and butyrylcholinesterase inhibitors: a systematic investigation of the influence of linker and cationic heads over affinity and selectivity. J Med Chem54:2627-45 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Carboxylic ester hydrolase | |||
| Name: | Carboxylic ester hydrolase | ||
| Synonyms: | BuChE | Butyrlcholinesterase (BuChE) | Butyrylcholine esterase | Butyrylcholinesterase | Butyrylcholinesterase (BChE) | Butyrylcholinesterase (BuChE) | Butyrylcholinesterase (EqBuChE) | Carboxylic ester hydrolase | butyrylcholinesterase precursor | ||
| Type: | Protein | ||
| Mol. Mass.: | 68842.83 | ||
| Organism: | Equus caballus (Horse) | ||
| Description: | Q9N1N9 | ||
| Residue: | 602 | ||
| Sequence: |
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| BDBM50342875 | |||
| n/a | |||
| Name | BDBM50342875 | ||
| Synonyms: | 1,1'-[4,4'-(Butane-1,4-diyl)bis(1,4-phenylene)]bis(methylene)bis[4-(pyrrolidin-1-yl)pyridinium]bromide | CHEMBL1771546 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H44N4 | ||
| Mol. Mass. | 532.7603 | ||
| SMILES | C(CCc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(34.84,-6.91,;36.16,-6.14,;37.5,-6.9,;38.82,-6.12,;40.16,-6.88,;41.48,-6.1,;41.47,-4.57,;42.79,-3.78,;44.14,-4.54,;44.15,-6.08,;45.49,-6.83,;46.81,-6.05,;46.79,-4.51,;45.45,-3.75,;48.16,-6.81,;48.34,-8.33,;49.85,-8.63,;50.61,-7.29,;49.56,-6.16,;40.12,-3.81,;38.8,-4.59,;33.5,-6.15,;32.17,-6.92,;32.17,-8.47,;30.83,-9.24,;29.49,-8.47,;28.16,-9.24,;26.82,-8.47,;26.83,-6.93,;25.5,-6.16,;24.17,-6.92,;24.17,-8.47,;25.5,-9.24,;22.83,-6.16,;22.67,-4.62,;21.16,-4.3,;20.39,-5.63,;21.42,-6.78,;29.5,-6.92,;30.83,-6.16,)| | ||
| Structure | 
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