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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50342860 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_745138 (CHEMBL1772317) | ||
| IC50 | 126±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: |
| ||
| BDBM50342860 | |||
| n/a | |||
| Name | BDBM50342860 | ||
| Synonyms: | 1,1'-[1,4-Phenylenebis(methylene)]bis[4-(3,4-dihydroisoquinolin-2(1H)-yl)pyridinium]bromide | CHEMBL1771370 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C36H36N4 | ||
| Mol. Mass. | 524.6967 | ||
| SMILES | C(c1ccc(Cn2ccc(cc2)=[N+]2CCc3ccccc3C2)cc1)n1ccc(cc1)=[N+]1CCc2ccccc2C1 |(20.19,-23.01,;21.52,-22.24,;21.52,-20.69,;22.85,-19.92,;24.19,-20.69,;25.52,-19.91,;26.86,-20.68,;26.86,-22.21,;28.2,-22.98,;29.53,-22.2,;29.52,-20.65,;28.18,-19.89,;30.87,-22.97,;30.87,-24.51,;32.2,-25.27,;33.53,-24.5,;34.86,-25.26,;36.19,-24.49,;36.19,-22.95,;34.86,-22.19,;33.53,-22.96,;32.19,-22.19,;24.19,-22.24,;22.86,-23.01,;18.85,-22.24,;18.86,-20.69,;17.53,-19.92,;16.19,-20.69,;16.19,-22.24,;17.53,-23.01,;14.86,-19.92,;14.85,-18.38,;13.52,-17.61,;12.19,-18.38,;10.87,-17.61,;9.53,-18.37,;9.53,-19.92,;10.86,-20.68,;12.18,-19.92,;13.52,-20.7,)| | ||
| Structure | 
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