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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon | ||
| Ligand | BDBM144136 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | Flashplate Assay | ||
| pH | 7.5±n/a | ||
| Temperature | 303.15±n/a K | ||
| IC50 | 10±n/a nM | ||
| Comments | extracted | ||
| Citation |  Hoelzemann, G; Dorsch, D; Eggenweiler, H Benzonitrile derivatives as kinase inhibitors US Patent US8969335 Publication Date 3/3/2015 | ||
| 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: |
| ||
| BDBM144136 | |||
| n/a | |||
| Name | BDBM144136 | ||
| Synonyms: | US8969335, A73 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C25H28N6O3 | ||
| Mol. Mass. | 460.5282 | ||
| SMILES | O[C@H]1CC[C@H](CC1)n1cc(Nc2nccc(n2)-c2ccc(OC3CCOCC3)c(c2)C#N)cn1 |r,wU:1.0,4.7,(-10.91,1.18,;-9.43,.78,;-8.34,1.87,;-6.85,1.47,;-6.45,-.01,;-7.54,-1.1,;-9.03,-.7,;-4.96,-.41,;-3.72,.49,;-2.47,-.41,;-.99,-.01,;.1,-1.1,;-.29,-2.59,;.79,-3.68,;2.28,-3.28,;2.68,-1.79,;1.59,-.7,;4.17,-1.39,;4.57,.09,;6.05,.49,;7.14,-.6,;8.63,-.2,;9.03,1.29,;10.52,1.69,;10.91,3.17,;9.83,4.26,;8.34,3.86,;7.94,2.38,;6.74,-2.09,;5.26,-2.48,;7.83,-3.17,;8.92,-4.26,;-2.95,-1.88,;-4.49,-1.88,)| | ||
| Structure | 
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