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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Carboxylic ester hydrolase | ||
| Ligand | BDBM50087657 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745139 (CHEMBL1772318) | ||
| IC50 | 130±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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| BDBM50087657 | |||
| n/a | |||
| Name | BDBM50087657 | ||
| Synonyms: | 1,2-di[4-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)phenyl]ethane dibromide | CHEMBL163319 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H44N4 | ||
| Mol. Mass. | 532.7603 | ||
| SMILES | C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(8.87,-5.62,;10.2,-6.38,;11.53,-5.61,;12.86,-6.38,;14.19,-5.61,;14.19,-4.07,;15.52,-3.29,;16.85,-4.04,;16.87,-5.58,;18.21,-6.35,;19.54,-5.58,;19.51,-4.02,;18.18,-3.27,;20.87,-6.33,;22.2,-5.55,;23.53,-6.32,;23.54,-7.86,;22.2,-8.64,;20.87,-7.87,;12.86,-3.3,;11.53,-4.08,;7.54,-6.4,;6.21,-5.63,;4.88,-6.4,;4.88,-7.94,;3.53,-8.71,;2.2,-7.94,;2.22,-6.4,;.89,-5.63,;-.46,-6.4,;-.44,-7.94,;.89,-8.71,;-1.79,-5.63,;-1.79,-4.09,;-3.12,-3.32,;-4.45,-4.09,;-4.46,-5.63,;-3.12,-6.4,;6.21,-8.71,;7.54,-7.94,)| | ||
| Structure | 
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