Search and Browse
Download
Enter Data
| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Sodium channel protein type 9 subunit alpha | ||
| Ligand | BDBM50418788 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_753412 (CHEMBL1799747) | ||
| IC50 | 28.84±n/a nM | ||
| Citation |  Macsari, I; Sandberg, L; Besidski, Y; Gravenfors, Y; Ginman, T; Bylund, J; Bueters, T; Eriksson, AB; Lund, PE; Venyike, E; Arvidsson, PI Phenyl isoxazole voltage-gated sodium channel blockers: structure and activity relationship. Bioorg Med Chem Lett21:3871-6 (2011) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Sodium channel protein type 9 subunit alpha | |||
| Name: | Sodium channel protein type 9 subunit alpha | ||
| Synonyms: | NENA | Neuroendocrine sodium channel | Peripheral sodium channel 1 | SCN9A | SCN9A_HUMAN | Sodium channel protein type IX alpha subunit | Voltage-gated sodium channel subunit Nav1.7 | Voltage-gated sodium channel subunit alpha Nav1.7 | hNE-Na | ||
| Type: | Protein | ||
| Mol. Mass.: | 226375.97 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Q15858 | ||
| Residue: | 1988 | ||
| Sequence: |
| ||
| BDBM50418788 | |||
| n/a | |||
| Name | BDBM50418788 | ||
| Synonyms: | CHEMBL1797392 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C22H21Cl2N3O4 | ||
| Mol. Mass. | 462.326 | ||
| SMILES | Cc1onc(c1NC(=O)OCc1ccc(OC2CCCC2)nc1)-c1c(Cl)cccc1Cl |(15.59,-15.68,;14.69,-16.93,;13.15,-16.94,;12.67,-18.4,;13.92,-19.31,;15.17,-18.39,;16.63,-18.86,;17.95,-18.07,;17.92,-16.53,;19.3,-18.82,;20.62,-18.02,;21.97,-18.77,;23.27,-17.97,;24.62,-18.71,;24.65,-20.26,;26,-21.01,;27.32,-20.21,;28.78,-20.7,;29.69,-19.46,;28.8,-18.2,;27.33,-18.67,;23.33,-21.05,;21.98,-20.31,;13.93,-20.85,;12.6,-21.62,;11.26,-20.85,;12.6,-23.17,;13.93,-23.94,;15.27,-23.17,;15.26,-21.62,;16.59,-20.84,)| | ||
| Structure | 
| ||