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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50117577 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_70883 (CHEMBL684541) | ||
| EC50 | 19±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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| BDBM50117577 | |||
| n/a | |||
| Name | BDBM50117577 | ||
| Synonyms: | 1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-3-oxo-propyl]-1-methyl-piperidinium | CHEMBL87273 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H32NO3S | ||
| Mol. Mass. | 438.602 | ||
| SMILES | COc1cc2cc(sc2cc1OC)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(.52,-5.47,;1.15,-6.88,;2.69,-7.05,;3.59,-5.8,;5.13,-5.96,;6.27,-4.92,;7.6,-5.69,;7.28,-7.21,;5.75,-7.37,;4.85,-8.61,;3.32,-8.45,;2.42,-9.7,;.89,-9.55,;9.01,-5.06,;9.17,-3.53,;10.25,-5.97,;11.67,-5.34,;12.94,-5.99,;12.93,-7.54,;14.26,-8.31,;15.6,-7.54,;16.68,-6.44,;16.93,-8.31,;18.27,-7.54,;18.26,-6.01,;19.59,-5.24,;20.93,-6.01,;20.93,-7.55,;19.6,-8.31,;15.6,-5.99,;14.27,-5.22,)| | ||
| Structure | 
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