Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Cholinesterase | ||
| Ligand | BDBM50289517 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_1730475 (CHEMBL4146011) | ||
| IC50 | 4.0±n/a nM | ||
| Citation |  Cen, J; Guo, H; Hong, C; Lv, J; Yang, Y; Wang, T; Fang, D; Luo, W; Wang, C Development of tacrine-bifendate conjugates with improved cholinesterase inhibitory and pro-cognitive efficacy and reduced hepatotoxicity. Eur J Med Chem144:128-136 (2018) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Cholinesterase | |||
| Name: | Cholinesterase | ||
| Synonyms: | BCHE | Butyrylcholinesterase (BuChE) | CHLE_HORSE | Cholinesterase | ||
| Type: | Enzyme | ||
| Mol. Mass.: | 65643.35 | ||
| Organism: | Equus caballus (Horse) | ||
| Description: | P81908 | ||
| Residue: | 574 | ||
| Sequence: |
| ||
| BDBM50289517 | |||
| n/a | |||
| Name | BDBM50289517 | ||
| Synonyms: | CHEMBL4163312 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C38H41N3O9 | ||
| Mol. Mass. | 683.7468 | ||
| SMILES | COC(=O)c1cc(OC)c2OCOc2c1-c1c2OCOc2c(OC)cc1C(=O)NCCCCCCNc1c2CCCCc2nc2ccccc12 |(14.16,-34.73,;15.68,-35.03,;16.7,-33.87,;16.2,-32.41,;18.21,-34.17,;18.21,-32.62,;19.54,-31.85,;19.54,-30.31,;20.87,-29.53,;20.88,-32.61,;22.35,-32.14,;23.26,-33.38,;22.35,-34.63,;20.88,-34.16,;19.55,-34.94,;19.55,-36.48,;20.88,-37.24,;22.33,-36.76,;23.24,-37.98,;22.35,-39.23,;20.9,-38.77,;19.55,-39.56,;19.55,-41.1,;18.22,-41.87,;18.21,-38.78,;18.21,-37.24,;16.75,-37.69,;16.41,-39.18,;15.64,-36.65,;14.17,-37.1,;13.04,-36.05,;11.56,-36.51,;10.43,-35.46,;8.96,-35.91,;7.83,-34.86,;6.36,-35.31,;5.23,-34.26,;5.58,-32.76,;7.04,-32.3,;7.38,-30.8,;6.25,-29.76,;4.78,-30.22,;4.45,-31.71,;2.97,-32.17,;2.63,-33.68,;1.18,-34.14,;.85,-35.64,;1.98,-36.68,;3.43,-36.21,;3.76,-34.72,)| | ||
| Structure | 
| ||