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Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM25924
Substrate
n/a
Meas. Tech.
ChEMBL_957967 (CHEMBL2378059)
IC50
11±n/a nM
Citation
 Huang, JJ; Wu, XW; Jia, JM; Guo, XK; Xue, X; Jiang, ZY; Zhang, SL; Zhang, XJ; Sun, HP; You, QD Novel IKKß inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method. Eur J Med Chem 63:269-78 (2013) [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:
BDBM25924
Synonyms:
N,12-dimethyl-14,15,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11,13,16-octaen-16-amine | benzopyrazoloquinazoline analogue, 13a
Type:
Small organic molecule
Emp. Form.:
C16H14N4
Mol. Mass.:
262.3092
SMILES:
CNc1nc2cc3ccccc3cc2c2c(C)cnn12
Structure:
Search PDB for entries with ligand similarity: