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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50117589 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_70883 | ||
| EC50 | 1440±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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| BDBM50117589 | |||
| n/a | |||
| Name | BDBM50117589 | ||
| Synonyms: | 1-Benzyl-4-[(5,6-dimethoxy-1-oxo-indan-2-yl)-hydroxy-methyl]-1-methyl-piperidinium | CHEMBL87883 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H32NO4 | ||
| Mol. Mass. | 410.5253 | ||
| SMILES | COc1cc2CC(C(O)C3CC[N+](C)(Cc4ccccc4)CC3)C(=O)c2cc1OC |(2.64,-10.43,;4.19,-10.44,;4.96,-9.1,;6.5,-9.1,;7.27,-7.77,;8.78,-7.47,;8.96,-5.92,;10.29,-5.15,;10.3,-3.61,;11.63,-5.94,;12.96,-5.18,;14.29,-5.95,;14.29,-7.49,;14.27,-9.03,;15.62,-8.26,;16.96,-7.49,;18.29,-8.26,;19.63,-7.49,;19.63,-5.94,;18.29,-5.17,;16.96,-5.94,;12.95,-8.26,;11.62,-7.48,;7.54,-5.29,;7.22,-3.79,;6.51,-6.44,;4.96,-6.41,;4.19,-7.75,;2.65,-7.75,;1.88,-6.41,)| | ||
| Structure | 
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