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Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM50550917
Substrate
n/a
Meas. Tech.
ChEMBL_2029053 (CHEMBL4683211)
IC50
430±n/a nM
Citation
 Elkamhawy, A; Kim, NY; Hassan, AHE; Park, JE; Paik, S; Yang, JE; Oh, KS; Lee, BH; Lee, MY; Shin, KJ; Pae, AN; Lee, KT; Roh, EJ Thiazolidine-2,4-dione-based irreversible allosteric IKK-? kinase inhibitors: Optimization into in vivo active anti-inflammatory agents. Eur J Med Chem 188:0 (2020) [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:
BDBM50550917
Synonyms:
CHEMBL4753837
Type:
Small organic molecule
Emp. Form.:
C32H34BrN3O4S
Mol. Mass.:
636.599
SMILES:
CN1CCN(CCCCCOc2ccc(cc2)N2C(=O)S\C(=C/c3ccc(Oc4ccc(Br)cc4)cc3)C2=O)CC1
Structure:
Search PDB for entries with ligand similarity: