| Reaction Details |
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 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| Ligand | BDBM28545 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_957967 (CHEMBL2378059) |
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| IC50 | 6.0±n/a nM |
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| Citation |  Huang, JJ; Wu, XW; Jia, JM; Guo, XK; Xue, X; Jiang, ZY; Zhang, SL; Zhang, XJ; Sun, HP; You, QD Novel IKKß inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method. Eur J Med Chem63:269-78 (2013) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| Name: | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| 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 |
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| Type: | Serine/threonine-protein kinase |
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| Mol. Mass.: | 86554.39 |
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| Organism: | Homo sapiens (Human) |
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| Description: | GST-tagged IKK-2 was expressed in High Five cells and purified. |
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| Residue: | 756 |
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| Sequence: | MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCL
EIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG
AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCT
SFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE
VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCF
KALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLA
LIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRN
LAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLK
AKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMAL
QTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQS
FEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKI
ACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLE
NAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
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| BDBM28545 |
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| n/a |
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| Name | BDBM28545 |
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| Synonyms: | N,12-dimethyl-4-phenyl-5-thia-3,7,10,12-tetraazatricyclo[7.3.0.0^{2,6}]dodeca-1(9),2(6),3,7,10-pentaen-8-amine | thiazole-based tricyclic inhibitor, 14 |
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| Type | Small organic molecule |
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| Emp. Form. | C15H13N5S |
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| Mol. Mass. | 295.362 |
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| SMILES | CNc1nc2sc(nc2c2n(C)cnc12)-c1ccccc1 |
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| Structure | 
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