| 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 | BDBM50334633 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_789248 (CHEMBL1924373) |
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| IC50 | 19±n/a nM |
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| Citation |  Watterson, SH; Langevine, CM; Van Kirk, K; Kempson, J; Guo, J; Spergel, SH; Das, J; Moquin, RV; Dyckman, AJ; Nirschl, D; Gregor, K; Pattoli, MA; Yang, X; McIntyre, KW; Yang, G; Galella, MA; Booth-Lute, H; Chen, L; Yang, Z; Wang-Iverson, D; McKinnon, M; Dodd, JH; Barrish, JC; Burke, JR; Pitts, WJ Novel tricyclic inhibitors of IKK2: discovery and SAR leading to the identification of 2-methoxy-N-((6-(1-methyl-4-(methylamino)-1,6-dihydroimidazo[4,5-d]pyrrolo[2,3-b]pyridin-7-yl)pyridin-2-yl)methyl)acetamide (BMS-066). Bioorg Med Chem Lett21:7006-12 (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 |
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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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| BDBM50334633 |
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| n/a |
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| Name | BDBM50334633 |
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| Synonyms: | (S)-N-(1-(3-(5-(ethylamino)-8-methyl-8H-imidazo[4,5-d]thiazolo[5,4-b]pyridin-2-yl)phenyl)ethyl)acetamide | CHEMBL1642546 |
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| Type | Small organic molecule |
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| Emp. Form. | C20H22N6OS |
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| Mol. Mass. | 394.493 |
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| SMILES | CCNc1nc2sc(nc2c2n(C)cnc12)-c1cccc(c1)[C@H](C)NC(C)=O |r| |
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| Structure | 
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