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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50342872 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745138 (CHEMBL1772317) | ||
| IC50 | 163±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 | ||
| Acetylcholinesterase | |||
| Name: | Acetylcholinesterase | ||
| Synonyms: | ACES_BOVIN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase precursor | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 67659.62 | ||
| Organism: | Bos taurus (bovine) | ||
| Description: | n/a | ||
| Residue: | 613 | ||
| Sequence: |
| ||
| BDBM50342872 | |||
| n/a | |||
| Name | BDBM50342872 | ||
| Synonyms: | 1,1'-(4,4'-(propane-1,3-diyl)bis(4,1-phenylene))bis(methylene)bis(4-(piperidin-1-yl)pyridinium)bromide | CHEMBL1771543 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C37H46N4 | ||
| Mol. Mass. | 546.7868 | ||
| SMILES | C(Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)Cc1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1 |(3.59,1.34,;2.25,2.1,;.92,1.33,;.92,-.22,;-.41,-.99,;-1.75,-.22,;-3.08,-.99,;-4.41,-.22,;-4.4,1.32,;-5.74,2.09,;-7.07,1.32,;-7.07,-.23,;-5.74,-.99,;-8.41,2.09,;-8.41,3.64,;-9.74,4.41,;-11.07,3.64,;-11.08,2.1,;-9.74,1.33,;-1.74,1.32,;-.42,2.09,;4.92,2.11,;6.25,1.35,;6.25,-.19,;7.59,-.95,;8.92,-.18,;10.26,-.94,;11.59,-.16,;12.92,-.93,;14.25,-.16,;14.25,1.38,;12.9,2.15,;11.58,1.37,;15.57,2.16,;16.91,1.39,;18.24,2.17,;18.23,3.71,;16.9,4.47,;15.56,3.7,;8.91,1.37,;7.57,2.13,)| | ||
| Structure | 
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