Reaction Details Report a problem with these data
Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM50124333
Substrate
n/a
Meas. Tech.
ChEBML_90394
IC50
>20000±n/a nM
Citation
 Murata, T; Shimada, M; Sakakibara, S; Yoshino, T; Kadono, H; Masuda, T; Shimazaki, M; Shintani, T; Fuchikami, K; Sakai, K; Inbe, H; Takeshita, K; Niki, T; Umeda, M; Bacon, KB; Ziegelbauer, KB; Lowinger, TB Discovery of novel and selective IKK-beta serine-threonine protein kinase inhibitors. Part 1. Bioorg Med Chem Lett 13:913-8 (2003) [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:
BDBM50124333
Synonyms:
CHEMBL171680 | Sodium; 4-{3-[2-amino-3-cyano-6-(2-hydroxy-6-methyl-phenyl)-pyridin-4-yl]-phenylcarbamoyl}-4-hydroxy-butyrate
Type:
Small organic molecule
Emp. Form.:
C24H21N4O5
Mol. Mass.:
445.4479
SMILES:
Cc1cccc(O)c1-c1cc(-c2cccc(NC(=O)C(O)CCC([O-])=O)c2)c(C#N)c(N)n1
Structure:
Search PDB for entries with ligand similarity: