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TargetInhibitor of NF-kappa-B kinase (IKK)
LigandBDBM158154
Substrate/Competitorn/a
Meas. Tech.ChEMBL_1577178
IC50>10000±n/a nM
Citation Menichincheri, MArdini, EMagnaghi, PAvanzi, NBanfi, PBossi, RBuffa, LCanevari, GCeriani, LColombo, MCorti, LDonati, DFasolini, MFelder, EFiorelli, CFiorentini, FGalvani, AIsacchi, ABorgia, ALMarchionni, CNesi, MOrrenius, CPanzeri, APesenti, ERusconi, LSaccardo, MBVanotti, EPerrone, EOrsini, P Discovery of Entrectinib: A New 3-Aminoindazole As a Potent Anaplastic Lymphoma Kinase (ALK), c-ros Oncogene 1 Kinase (ROS1), and Pan-Tropomyosin Receptor Kinases (Pan-TRKs) inhibitor. J Med Chem59:3392-408 (2016) [PubMed]
More Info.:Get all data from this article,  Assay Method
 
Inhibitor of NF-kappa-B kinase (IKK)
Name:Inhibitor of NF-kappa-B kinase (IKK)
Synonyms:I-kappa-B Kinase 2 (IKK-beta) | I-kappa-B kinase 2 | I-kappa-B-kinase beta | I-kappa-B-kinase beta (IKKB) | IKK-B | IKK-beta | IKK2 | IkBKB | 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
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM158154
NameBDBM158154
Synonyms:US9029356, 11 | US9255087, 11
TypeSmall organic molecule
Emp. Form.C31H34F2N6O2
Mol. Mass.560.6375
SMILESCN1CCN(CC1)c1ccc(C(=O)Nc2n[nH]c3ccc(Cc4cc(F)cc(F)c4)cc23)c(NC2CCOCC2)c1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a