Reaction Details Report a problem with these data
Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM312875
Substrate
n/a
Meas. Tech.
NIK Enzyme Inhibition Assay
Ki
0.230±n/a nM
Citation
 Blaquiere, N; Castanedo, G; Feng, JA; Hu, B; Staben, S; Yuen, P; Wu, G; Burch, J Alkynyl alcohols and methods of use US Patent  US9605005 Publication Date 3/28/2017 
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:
BDBM312875
Synonyms:
US9605005, Example 165 | ethyl 3-carbamoyl-1-[4-[2-[(3R)- 3-hydroxy-1-methyl-2-oxo- pyrrolidin-3-yl]ethynyl]-2- pyridyl]-6,7-dihydro-4H-pyra- zolo[4,3-c]pyridine-5-car- boxylate
Type:
Small organic molecule
Emp. Form.:
C22H24N6O5
Mol. Mass.:
452.4632
SMILES:
CCOC(=O)N1CCc2c(C1)c(nn2-c1cc(ccn1)C#C[C@]1(O)CCN(C)C1=O)C(N)=O |r|
Structure:
Search PDB for entries with ligand similarity: