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Target
Inhibitor of nuclear factor kappa-B kinase subunit beta
Ligand
BDBM50507357
Substrate
n/a
Meas. Tech.
ChEMBL_1829790 (CHEMBL4329664)
IC50
7.9±n/a nM
Citation
 Kerns, JK; Busch-Petersen, J; Fu, W; Boehm, JC; Nie, H; Muratore, M; Bullion, A; Lin, G; Li, H; Davis, R; Lin, X; Lakdawala, AS; Cousins, R; Field, R; Payne, J; Miller, DD; Bamborough, P; Christopher, JA; Baldwin, I; Osborn, RR; Yonchuk, J; Webb, E; Rumsey, WL 3,5-Disubstituted-indole-7-carboxamides as IKK? Inhibitors: Optimization of Oral Activity via the C3 Substituent. ACS Med Chem Lett 9:1164-1169 (2018) [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:
BDBM50507357
Synonyms:
CHEMBL4462412
Type:
Small organic molecule
Emp. Form.:
C28H36N4O3S
Mol. Mass.:
508.675
SMILES:
NC(=O)c1cc(cc2c(c[nH]c12)C1CCN(CC1)S(=O)(=O)CCCN1CCCCC1)-c1ccccc1
Structure:
Search PDB for entries with ligand similarity: