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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | ||
| Ligand | BDBM50379359 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_811984 (CHEMBL2013354) | ||
| IC50 | 46±n/a nM | ||
| Citation |  Wang, T; Block, MA; Cowen, S; Davies, AM; Devereaux, E; Gingipalli, L; Johannes, J; Larsen, NA; Su, Q; Tucker, JA; Whitston, D; Wu, J; Zhang, HJ; Zinda, M; Chuaqui, C Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKKe kinases. Bioorg Med Chem Lett22:2063-9 (2012) [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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| BDBM50379359 | |||
| n/a | |||
| Name | BDBM50379359 | ||
| Synonyms: | CHEMBL2011935 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C21H24BrN5O3 | ||
| Mol. Mass. | 474.351 | ||
| SMILES | COc1ccc(cc1)-c1nc2ncc(Br)c(NCCCNC(=O)C3CC(O)C3)c2[nH]1 |(36.6,-30.43,;35.82,-29.1,;34.28,-29.11,;33.52,-30.45,;31.98,-30.46,;31.2,-29.13,;31.96,-27.8,;33.49,-27.78,;29.66,-29.14,;28.76,-30.39,;27.29,-29.92,;25.95,-30.7,;24.62,-29.93,;24.62,-28.39,;23.29,-27.62,;25.95,-27.62,;25.95,-26.08,;27.28,-25.3,;27.27,-23.76,;28.61,-23,;28.61,-21.46,;29.95,-20.69,;31.28,-21.46,;29.95,-19.15,;31.04,-18.07,;29.95,-16.98,;29.96,-15.44,;28.86,-18.06,;27.29,-28.38,;28.75,-27.9,)| | ||
| Structure | 
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