| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
|---|
| Ligand | BDBM25924 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_957967 (CHEMBL2378059) |
|---|
| IC50 | 11±n/a nM |
|---|
| Citation |  Huang, JJ; Wu, XW; Jia, JM; Guo, XK; Xue, X; Jiang, ZY; Zhang, SL; Zhang, XJ; Sun, HP; You, QD Novel IKKß inhibitors discovery based on the co-crystal structure by using binding-conformation-based and ligand-based method. Eur J Med Chem63:269-78 (2013) [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
|
|
|
|---|
| BDBM25924 |
|---|
| n/a |
|---|
| Name | BDBM25924 |
|---|
| Synonyms: | N,12-dimethyl-14,15,17-triazatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-1,3,5,7,9,11,13,16-octaen-16-amine | benzopyrazoloquinazoline analogue, 13a |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C16H14N4 |
|---|
| Mol. Mass. | 262.3092 |
|---|
| SMILES | CNc1nc2cc3ccccc3cc2c2c(C)cnn12 |
|---|
| Structure | 
|
|---|
Search and Browse
