Reaction Details | |||
---|---|---|---|
Report a problem with these data | |||
Target | Acetylcholinesterase | ||
Ligand | BDBM50117606 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_28291 (CHEMBL644831) | ||
IC50 | 110±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: |
| ||
BDBM50117606 | |||
n/a | |||
Name | BDBM50117606 | ||
Synonyms: | 1-Benzyl-4-[5-(5,6-dimethoxy-benzo[b]thiophen-2-yl)-5-oxo-pentyl]-1-methyl-piperidinium; bromide | CHEMBL88049 | ||
Type | Small organic molecule | ||
Emp. Form. | C28H36NO3S | ||
Mol. Mass. | 466.655 | ||
SMILES | COc1cc2cc(sc2cc1OC)C(=O)CCCCC1CC[N+](C)(Cc2ccccc2)CC1 |(-.74,-2.58,;.58,-1.81,;1.92,-2.58,;3.23,-1.81,;4.56,-2.58,;6.05,-2.09,;6.96,-3.35,;6.05,-4.61,;4.56,-4.12,;3.25,-4.89,;1.92,-4.12,;.58,-4.89,;-.74,-4.12,;8.5,-3.35,;9.27,-4.68,;9.27,-2.01,;10.82,-2.01,;11.59,-.68,;13.13,-.68,;13.88,.67,;15.4,.9,;15.95,2.34,;14.98,3.54,;13.74,4.44,;15.54,4.98,;17.06,5.22,;17.6,6.65,;19.12,6.91,;20.1,5.7,;19.54,4.27,;18.02,4.02,;13.46,3.29,;12.9,1.85,)| | ||
Structure |