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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carboxylic ester hydrolase | ||
| Ligand | BDBM50342871 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745139 (CHEMBL1772318) | ||
| IC50 | 292±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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| BDBM50342871 | |||
| n/a | |||
| Name | BDBM50342871 | ||
| Synonyms: | 1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bis(methylene)bis(4-(pyrrolidin-1-yl)pyridinium)bromide | CHEMBL1771542 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C35H42N4 | ||
| Mol. Mass. | 518.7337 | ||
| SMILES | C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCC2)cc1 |(35.23,-49.84,;33.9,-49.07,;32.57,-49.85,;32.57,-51.4,;31.24,-52.17,;29.9,-51.4,;28.57,-52.17,;27.23,-51.4,;27.24,-49.86,;25.91,-49.09,;24.58,-49.86,;24.58,-51.4,;25.91,-52.17,;23.24,-49.09,;23.08,-47.56,;21.57,-47.24,;20.8,-48.57,;21.83,-49.72,;29.9,-49.86,;31.23,-49.08,;36.57,-49.06,;37.9,-49.83,;37.9,-51.37,;39.24,-52.13,;40.57,-51.36,;41.91,-52.12,;43.24,-51.34,;44.57,-52.11,;45.9,-51.34,;45.89,-49.79,;44.55,-49.03,;43.22,-49.81,;47.22,-49.01,;48.63,-49.62,;49.66,-48.47,;48.88,-47.14,;47.37,-47.47,;40.56,-49.81,;39.22,-49.05,)| | ||
| Structure | 
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