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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | ||
| Ligand | BDBM50425864 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_933953 (CHEMBL2317771) | ||
| IC50 | 30000±n/a nM | ||
| Citation |  Powell, NA; Hoffman, JK; Ciske, FL; Kohrt, JT; Baxi, SM; Peng, YW; Zhong, M; Catana, C; Ohren, J; Perrin, LA; Edmunds, JJ Optimization of highly selective 2,4-diaminopyrimidine-5-carboxamide inhibitors of Sky kinase. Bioorg Med Chem Lett23:1051-5 (2013) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon | |||
| Name: | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | ||
| Synonyms: | I kappa-B kinase epsilon | I-kappa-B Kinase 3 (IKK-epsilon) | I-kappa-B kinase epsilon (IKK-E) | I-kappa-B kinase epsilon (IKKE) | IKBKE | IKK-E | IKK-epsilon | IKK-i | IKKE | IKKE_HUMAN | IKKI | Inducible I kappa-B kinase | KIAA0151 | von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon | ||
| Type: | Serine/threonine-protein kinase | ||
| Mol. Mass.: | 80475.98 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein. | ||
| Residue: | 716 | ||
| Sequence: |
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| BDBM50425864 | |||
| n/a | |||
| Name | BDBM50425864 | ||
| Synonyms: | CHEMBL2312649 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H35Cl2N7O | ||
| Mol. Mass. | 520.498 | ||
| SMILES | CN(C)C1CCC(CC1)Nc1nc(Nc2cc(Cl)cc(Cl)c2)ncc1C(=O)NC1CCN(C)CC1 |(47.36,-51.36,;48.9,-51.37,;49.67,-52.7,;49.68,-50.04,;48.92,-48.7,;49.7,-47.37,;51.23,-47.39,;52.01,-48.71,;51.22,-50.05,;52,-46.06,;51.24,-44.72,;49.7,-44.72,;48.94,-43.38,;47.4,-43.38,;46.63,-42.04,;47.41,-40.71,;46.64,-39.37,;47.41,-38.04,;45.1,-39.37,;44.33,-40.71,;42.79,-40.71,;45.1,-42.04,;49.7,-42.05,;51.24,-42.05,;52.01,-43.39,;53.55,-43.39,;54.32,-44.72,;54.32,-42.06,;55.86,-42.06,;56.62,-43.39,;58.16,-43.4,;58.94,-42.07,;60.48,-42.08,;58.17,-40.73,;56.62,-40.72,)| | ||
| Structure | 
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