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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50117585 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_70883 | ||
| EC50 | 1600±n/a nM | ||
| Citation |  Clark, JK; Cowley, P; Muir, AW; Palin, R; Pow, E; Prosser, AB; Taylor, R; Zhang, MQ Quaternary salts of E2020 analogues as acetylcholinesterase inhibitors for the reversal of neuromuscular block. Bioorg Med Chem Lett12:2565-8 (2002) [PubMed] | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Acetylcholinesterase | |||
| Name: | Acetylcholinesterase | ||
| Synonyms: | ACES_HUMAN | ACHE | Acetylcholinesterase (AChE) | Acetylcholinesterase (human AChE) | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 67792.70 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | P22303 | ||
| Residue: | 614 | ||
| Sequence: |
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| BDBM50117585 | |||
| n/a | |||
| Name | BDBM50117585 | ||
| Synonyms: | 1-Benzyl-4-[3-(5,6-dimethoxy-1-methyl-1H-indol-2-yl)-3-oxo-propyl]-1-methyl-piperidinium | CHEMBL432376 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H35N2O3 | ||
| Mol. Mass. | 435.5779 | ||
| SMILES | COc1cc2cc(C(=O)CCC3CC[N+](C)(Cc4ccccc4)CC3)n(C)c2cc1OC |(-2.15,-5.79,;-1.52,-7.21,;.01,-7.37,;.92,-6.12,;2.45,-6.28,;3.58,-5.26,;4.91,-6.03,;6.32,-5.4,;6.49,-3.86,;7.57,-6.3,;8.98,-5.68,;10.24,-6.32,;11.58,-5.56,;12.9,-6.33,;12.89,-7.87,;13.98,-6.77,;14.22,-8.64,;15.56,-7.87,;16.89,-8.64,;18.22,-7.87,;18.22,-6.33,;16.88,-5.56,;15.55,-6.33,;11.56,-8.64,;10.23,-7.86,;4.6,-7.54,;5.63,-8.68,;3.06,-7.68,;2.17,-8.94,;.64,-8.78,;-.25,-10.02,;-1.79,-9.87,)| | ||
| Structure | 
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