Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetInhibitor of nuclear factor kappa-B kinase subunit beta
LigandBDBM50402409
Substrate/Competitorn/a
Meas. Tech.ChEMBL_886358 (CHEMBL2212848)
IC50 375.4±n/a nM
Citation Forsyth, TKearney, PCKim, BGJohnson, HWAay, NArcalas, ABrown, DSChan, VChen, JDu, HEpshteyn, SGalan, AAHuynh, TPIbrahim, MAKane, BKoltun, ESMann, GMeyr, LELee, MSLewis, GLNoguchi, RTPack, MRidgway, BHShi, XTakeuchi, CSZu, PLeahy, JWNuss, JMAoyama, REngst, SGendreau, SBKassees, RLi, JLin, SHMartini, JFStout, TTong, PWoolfrey, JZhang, WYu, P SAR and in vivo evaluation of 4-aryl-2-aminoalkylpyrimidines as potent and selective Janus kinase 2 (JAK2) inhibitors. Bioorg Med Chem Lett22:7653-8 (2012) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Inhibitor of nuclear factor kappa-B kinase subunit beta
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:
MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCL
EIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG
AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCT
SFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE
VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCF
KALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLA
LIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRN
LAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLK
AKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMAL
QTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQS
FEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKI
ACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLE
NAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50402409
n/a
NameBDBM50402409
Synonyms:CHEMBL2208034
TypeSmall organic molecule
Emp. Form.C25H28N6O2
Mol. Mass.444.5288
SMILESO=C(Nc1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1)[C@H]1CCCN1 |r|
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least: