Reaction Details Report a problem with these data
Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM25933
Substrate
n/a
Meas. Tech.
ChEMBL_957967 (CHEMBL2378059)
IC50
2.5±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:
BDBM25933
Synonyms:
N-(2-aminoethyl)-12-methyl-4-(1H-pyrrol-2-yl)-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine | imidazothienopyrazine, 13f
Type:
Small organic molecule
Emp. Form.:
C15H16N6S
Mol. Mass.:
312.393
SMILES:
Cc1cnc2c(NCCN)nc3cc(sc3n12)-c1ccc[nH]1
Structure:
Search PDB for entries with ligand similarity: