Reaction Details | |||
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Target | Inhibitor of nuclear factor kappa-B kinase subunit beta | ||
Ligand | BDBM50425864 | ||
Substrate/Competitor | n/a | ||
Meas. Tech. | ChEMBL_933954 (CHEMBL2317772) | ||
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 beta | |||
Name: | Inhibitor of nuclear factor kappa-B kinase subunit beta | ||
Synonyms: | I-kappa-B Kinase 2 (IKK-beta) | I-kappa-B kinase 2 | I-kappa-B-kinase beta | I-kappa-B-kinase beta (IKKB) | IKBKB | IKK-B | IKK-beta | IKK2 | IKK2/IKK1 | IKKB | IKKB_HUMAN | Inhibitor of NF-kappa-B kinase alpha/beta | Inhibitor of nuclear factor kappa B kinase beta subunit | NFKBIKB | Nuclear factor NF-kappa-B inhibitor kinase beta | ||
Type: | Serine/threonine-protein kinase | ||
Mol. Mass.: | 86554.39 | ||
Organism: | Homo sapiens (Human) | ||
Description: | GST-tagged IKK-2 was expressed in High Five cells and purified. | ||
Residue: | 756 | ||
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 |