Reaction Details |
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Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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Ligand | BDBM50336057 |
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Substrate/Competitor | n/a |
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Meas. Tech. | ChEMBL_717955 (CHEMBL1671201) |
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IC50 | 15±n/a nM |
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Citation | Shimizu, H; Yasumatsu, I; Hamada, T; Yoneda, Y; Yamasaki, T; Tanaka, S; Toki, T; Yokoyama, M; Morishita, K; Iimura, S Discovery of imidazo[1,2-b]pyridazines as IKKß inhibitors. Part 2: improvement of potency in vitro and in vivo. Bioorg Med Chem Lett21:904-8 (2011) [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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BDBM50336057 |
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n/a |
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Name | BDBM50336057 |
Synonyms: | CHEMBL1669342 | N-(4-acetamidobenzyl)-4-(6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl)-N-(((2S,4R)-4-fluoropyrrolidin-2-yl)methyl)benzamide |
Type | Small organic molecule |
Emp. Form. | C31H34FN7O2 |
Mol. Mass. | 555.6458 |
SMILES | CC(=O)Nc1ccc(CN(C[C@@H]2C[C@@H](F)CN2)C(=O)c2ccc(cc2)-c2cnc3ccc(NCC4CC4)nn23)cc1 |r| |
Structure |
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