Reaction Details |
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Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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Ligand | BDBM25920 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_957967 (CHEMBL2378059) |
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IC50 | 18±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 |
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: | MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCL
EIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG
AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCT
SFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE
VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCF
KALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLA
LIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRN
LAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLK
AKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMAL
QTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQS
FEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKI
ACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLE
NAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
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BDBM25920 |
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n/a |
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Name | BDBM25920 |
Synonyms: | N,12-dimethyl-11,14,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,12,14,16-octaen-16-amine | benzimidazoquinoxaline analogue, 7a |
Type | Small organic molecule |
Emp. Form. | C16H14N4 |
Mol. Mass. | 262.3092 |
SMILES | CNc1nc2cc3ccccc3cc2n2c(C)cnc12 |
Structure |
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