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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50342853 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745138 (CHEMBL1772317) | ||
| IC50 | 15±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: |
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| BDBM50342853 | |||
| n/a | |||
| Name | BDBM50342853 | ||
| Synonyms: | 4-(6,7-Dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-1-{4-[(4-piperidin-1-ylpyridinium-1-yl)methyl]benzyl}pyridiniumbromide | CHEMBL1771556 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C34H40N4O2 | ||
| Mol. Mass. | 536.7059 | ||
| SMILES | COc1cc2CC[N+](Cc2cc1OC)=c1ccn(Cc2ccc(Cn3ccc(cc3)=[N+]3CCCCC3)cc2)cc1 |(22.64,-11.65,;21.3,-10.89,;19.97,-11.67,;18.64,-10.91,;17.31,-11.67,;15.97,-10.91,;14.64,-11.68,;14.66,-13.22,;15.99,-13.99,;17.31,-13.21,;18.64,-13.98,;19.97,-13.21,;21.31,-13.98,;22.64,-13.2,;13.33,-14,;13.34,-15.54,;12.01,-16.32,;10.67,-15.55,;9.34,-16.33,;8,-15.57,;6.67,-16.34,;5.33,-15.58,;5.33,-14.04,;4,-13.27,;2.66,-14.05,;2.67,-15.6,;1.33,-16.37,;-0,-15.6,;-0,-14.06,;1.33,-13.29,;-1.34,-16.37,;-2.67,-15.59,;-4,-16.35,;-4.01,-17.9,;-2.67,-18.67,;-1.33,-17.91,;6.65,-13.26,;7.99,-14.02,;10.66,-14.02,;11.98,-13.24,)| | ||
| Structure | 
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