Reaction Details | |||
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Target | Acetylcholinesterase | ||
Ligand | BDBM50117574 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_70883 (CHEMBL684541) | ||
EC50 | 430±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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BDBM50117574 | |||
n/a | |||
Name | BDBM50117574 | ||
Synonyms: | 1-Benzyl-1-methyl-4-[3-(5-methyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-piperidinium | 1-Benzyl-4-[3-(2,5-dimethyl-1-phenyl-1H-pyrazol-3-yl)-3-oxo-propyl]-1-methyl-piperidinium | CHEMBL87014 | ||
Type | Small organic molecule | ||
Emp. Form. | C26H32N3O | ||
Mol. Mass. | 402.5512 | ||
SMILES | Cc1cc(nn1-c1ccccc1)C(=O)CCC1CC[N+](C)(Cc2ccccc2)CC1 |(5.62,-.38,;6.31,-1.76,;7.82,-2.01,;8.06,-3.52,;6.68,-4.21,;5.61,-3.13,;4.08,-3.34,;3.13,-2.15,;1.59,-2.36,;1.03,-3.81,;2.01,-5.02,;3.53,-4.78,;9.47,-2.9,;9.64,-1.36,;10.72,-3.8,;12.12,-3.17,;13.38,-3.81,;13.38,-5.37,;14.71,-6.14,;16.04,-5.37,;17.13,-4.27,;17.37,-6.14,;18.7,-5.37,;18.7,-3.83,;20.03,-3.06,;21.37,-3.83,;21.37,-5.37,;20.03,-6.14,;16.05,-3.83,;14.72,-3.06,)| | ||
Structure |