| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
|---|
| Ligand | BDBM50336164 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_716440 (CHEMBL1670064) |
|---|
| IC50 | 4.8±n/a nM |
|---|
| Citation |  Xie, J; Poda, GI; Hu, Y; Chen, NX; Heier, RF; Wolfson, SG; Reding, MT; Lennon, PJ; Kurumbail, RG; Selness, SR; Li, X; Kishore, NN; Sommers, CD; Christine, L; Bonar, SL; Venkatraman, N; Mathialagan, S; Brustkern, SJ; Huang, HC Aminopyridinecarboxamide-based inhaled IKK-2 inhibitors for asthma and COPD: Structure-activity relationship. Bioorg Med Chem19:1242-55 (2011) [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
|
|
|
|---|
| BDBM50336164 |
|---|
| n/a |
|---|
| Name | BDBM50336164 |
|---|
| Synonyms: | 8-(5-chloro-2-(4-methylpiperazin-1-yl)isonicotinamido)-1-(3-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide | CHEMBL1669556 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C29H27ClFN7O2 |
|---|
| Mol. Mass. | 560.022 |
|---|
| SMILES | CN1CCN(CC1)c1cc(C(=O)Nc2ccc3CCc4c(nn(c4-c3c2)-c2cccc(F)c2)C(N)=O)c(Cl)cn1 |
|---|
| Structure | 
|
|---|
Search and Browse
