| 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 | BDBM50312057 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_620617 (CHEMBL1114825) |
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| IC50 | >2000±n/a nM |
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| Citation |  Berger, DM; Torres, N; Dutia, M; Powell, D; Ciszewski, G; Gopalsamy, A; Levin, JI; Kim, KH; Xu, W; Wilhelm, J; Hu, Y; Collins, K; Feldberg, L; Kim, S; Frommer, E; Wojciechowicz, D; Mallon, R Non-hinge-binding pyrazolo[1,5-a]pyrimidines as potent B-Raf kinase inhibitors. Bioorg Med Chem Lett19:6519-23 (2009) [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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| BDBM50312057 |
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| n/a |
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| Name | BDBM50312057 |
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| Synonyms: | CHEMBL1087397 | N-(3-(3-(4-((dimethylamino)methyl)phenyl)pyrazolo[1,5-a]pyrimidin-7-yl)phenyl)-3-(trifluoromethyl)benzamide | N-[3-(3-{4-[(dimethylamino)methyl]phenyl}pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-(trifluoromethyl)benzamide |
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| Type | Small organic molecule |
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| Emp. Form. | C29H24F3N5O |
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| Mol. Mass. | 515.529 |
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| SMILES | CN(C)Cc1ccc(cc1)-c1cnn2c(ccnc12)-c1cccc(NC(=O)c2cccc(c2)C(F)(F)F)c1 |
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| Structure | 
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