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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Acetylcholinesterase | ||
| Ligand | BDBM50117580 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEBML_70883 | ||
| EC50 | 331±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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| BDBM50117580 | |||
| n/a | |||
| Name | BDBM50117580 | ||
| Synonyms: | 1-Benzyl-1-methyl-4-[3-oxo-3-(2,3,4,5-tetrahydro-1H-benzo[b]azepin-8-yl)-propyl]-piperidinium | CHEMBL315385 | TAK-147 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C26H35N2O | ||
| Mol. Mass. | 391.5684 | ||
| SMILES | C[N+]1(Cc2ccccc2)CCC(CCC(=O)c2ccc3CCCCNc3c2)CC1 |(5.9,-6.04,;5.9,-4.5,;4.57,-5.27,;3.23,-4.5,;1.9,-5.27,;.57,-4.5,;.57,-2.95,;1.9,-2.18,;3.23,-2.95,;5.9,-2.95,;7.23,-2.18,;8.57,-2.95,;9.92,-2.18,;11.25,-2.95,;12.59,-2.18,;12.59,-.64,;13.92,-2.95,;15.25,-2.18,;16.59,-2.95,;16.59,-4.5,;18.04,-5.08,;18.48,-6.55,;17.61,-7.82,;16.09,-7.91,;15.02,-6.81,;15.25,-5.27,;13.92,-4.5,;8.57,-4.5,;7.23,-5.27,)| | ||
| Structure | 
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