Reaction Details | |||
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Target | Acetylcholinesterase | ||
Ligand | BDBM50154642 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_745138 (CHEMBL1772317) | ||
IC50 | 160±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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BDBM50154642 | |||
n/a | |||
Name | BDBM50154642 | ||
Synonyms: | 4-hexahydro-1-pyridinyl-1-{4-[4-(4-hexahydro-1-pyridinyl-1-pyridiniumylmethyl)phenyl]benzyl}pyridinium; dibromide | CHEMBL186136 | ||
Type | Small organic molecule | ||
Emp. Form. | C34H40N4 | ||
Mol. Mass. | 504.7071 | ||
SMILES | C(c1ccc(cc1)-c1ccc(Cn2ccc(cc2)=[N+]2CCCCC2)cc1)n1ccc(cc1)=[N+]1CCCCC1 |(-4.88,-2.66,;-3.33,-2.66,;-2.58,-1.33,;-1.03,-1.33,;-.26,-2.66,;-1.03,-3.99,;-2.58,-3.99,;1.28,-2.66,;2.05,-1.33,;3.58,-1.32,;4.37,-2.66,;5.91,-2.66,;6.68,-1.33,;8.21,-1.33,;8.99,,;8.21,1.34,;6.65,1.34,;5.91,,;8.98,2.68,;10.51,2.68,;11.28,4.01,;10.51,5.34,;8.98,5.34,;8.21,4.01,;3.58,-3.99,;2.05,-3.99,;-5.66,-1.33,;-7.02,-2.05,;-8.34,-1.23,;-8.29,.29,;-6.93,1.02,;-5.61,.21,;-9.59,1.1,;-9.55,2.65,;-10.86,3.47,;-12.19,2.75,;-12.26,1.2,;-10.95,.38,)| | ||
Structure |