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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50117615 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_28291 | ||
| EC50 | 650±n/a nM | ||
| Citation |  Palin, R; Clark, JK; Cowley, P; Muir, AW; Pow, E; Prosser, AB; Taylor, R; Zhang, MQ Novel piperidinium and pyridinium agents as water-soluble acetylcholinesterase inhibitors for the reversal of neuromuscular blockade. Bioorg Med Chem Lett12:2569-72 (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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| BDBM50117615 | |||
| n/a | |||
| Name | BDBM50117615 | ||
| Synonyms: | 1-Benzyl-4-[3-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-1-methoxy-3-oxo-propyl]-1-methyl-piperidinium; bromide | CHEMBL314398 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C27H34NO4S | ||
| Mol. Mass. | 468.628 | ||
| SMILES | COC(CC(=O)c1cc2cc(OC)c(OC)cc2s1)C1CC[N+](C)(Cc2ccccc2)CC1 |(11.32,-7.89,;12.1,-6.55,;11.32,-5.22,;9.78,-5.22,;9.01,-6.55,;9.78,-7.89,;7.47,-6.55,;6.55,-5.29,;5.07,-5.78,;3.74,-5.01,;2.42,-5.78,;1.08,-5.01,;-.23,-5.78,;2.42,-7.33,;1.08,-8.1,;-.23,-7.33,;3.75,-8.1,;5.07,-7.33,;6.55,-7.82,;12.1,-3.89,;13.63,-3.98,;14.5,-2.72,;13.82,-1.32,;12.81,-.17,;14.68,-.05,;16.23,-.15,;17.07,1.11,;18.61,1.02,;19.29,-.38,;18.42,-1.64,;16.89,-1.55,;12.28,-1.22,;11.41,-2.51,)| | ||
| Structure | 
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