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Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM50325367
Substrate
n/a
Meas. Tech.
ChEMBL_652133 (CHEMBL1228242)
IC50
530±n/a nM
Citation
 Shimizu, H; Tanaka, S; Toki, T; Yasumatsu, I; Akimoto, T; Morishita, K; Yamasaki, T; Yasukochi, T; Iimura, S Discovery of imidazo[1,2-b]pyridazine derivatives as IKKbeta inhibitors. Part 1: Hit-to-lead study and structure-activity relationship. Bioorg Med Chem Lett 20:5113-8 (2010) [PubMed]  Article 
Target
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:
MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCLEIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREGAILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCTSFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSEVDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCFKALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLALIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRNLAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLKAKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMALQTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQSFEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKIACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLENAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
  
Inhibitor
Name:
BDBM50325367
Synonyms:
CHEMBL1223136 | trans-4-(6-(4-hydroxycyclohexylamino)imidazo[1,2-b]pyridazin-3-yl)-N-((S)-pyrrolidin-2-ylmethyl)benzamide
Type:
Small organic molecule
Emp. Form.:
C24H30N6O2
Mol. Mass.:
434.534
SMILES:
O[C@H]1CC[C@@H](CC1)Nc1ccc2ncc(-c3ccc(cc3)C(=O)NC[C@@H]3CCCN3)n2n1 |r,wU:4.7,wD:25.26,1.0,(1,3.07,;-.33,3.85,;-.32,5.39,;-1.65,6.17,;-2.99,5.41,;-2.99,3.86,;-1.67,3.09,;-4.32,6.19,;-5.66,5.42,;-6.99,6.2,;-8.31,5.42,;-8.31,3.88,;-9.57,2.97,;-9.09,1.5,;-7.54,1.5,;-6.77,.18,;-7.53,-1.16,;-6.75,-2.49,;-5.21,-2.48,;-4.45,-1.13,;-5.23,.19,;-4.43,-3.81,;-5.19,-5.15,;-2.89,-3.79,;-2.11,-5.12,;-.57,-5.11,;.32,-3.84,;1.79,-4.31,;1.81,-5.85,;.35,-6.33,;-7.07,2.97,;-5.66,3.88,)|
Structure:
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