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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Inhibitor of nuclear factor kappa-B kinase subunit beta | ||
| Ligand | BDBM50277910 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_501961 (CHEMBL985884) | ||
| IC50 | 13000±n/a nM | ||
| Citation |  Humphries, PS; Lafontaine, JA; Agree, CS; Alexander, D; Chen, P; Do, QQ; Li, LY; Lunney, EA; Rajapakse, RJ; Siegel, K; Timofeevski, SL; Wang, T; Wilhite, DM Synthesis and SAR of 4-substituted-2-aminopyrimidines as novel c-Jun N-terminal kinase (JNK) inhibitors. Bioorg Med Chem Lett19:2099-102 (2009) [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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| BDBM50277910 | |||
| n/a | |||
| Name | BDBM50277910 | ||
| Synonyms: | 4-(4-(2-(cyclopentylamino)pyrimidin-4-yl)-1H-pyrazol-3-yl)cyclohexanol | CHEMBL507249 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C18H25N5O | ||
| Mol. Mass. | 327.424 | ||
| SMILES | O[C@H]1CC[C@@H](CC1)c1[nH]ncc1-c1ccnc(NC2CCCC2)n1 |r,wU:4.7,wD:1.0,(-.62,.56,;.73,1.31,;2.05,.52,;3.4,1.27,;3.42,2.81,;2.09,3.6,;.76,2.85,;4.88,3.29,;5.35,4.76,;6.89,4.76,;7.37,3.3,;6.14,2.4,;6.14,.86,;4.81,.09,;4.81,-1.46,;6.14,-2.23,;7.48,-1.46,;8.82,-2.23,;8.82,-3.77,;7.58,-4.66,;8.05,-6.13,;9.59,-6.12,;10.07,-4.66,;7.48,.09,)| | ||
| Structure | 
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