| Reaction Details |
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 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| Ligand | BDBM50186637 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_769089 (CHEMBL1832646) |
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| IC50 | 50±n/a nM |
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| Citation |  Sun, HP; Zhu, J; Chen, FH; Zhang, SL; Zhang, Y; You, QD Combination of pharmacophore model development and binding mode analyses: identification of ligand features essential for I¿B kinase-beta (IKKß) inhibitors and virtual screening based on it. Eur J Med Chem46:3942-52 (2011) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| Name: | Inhibitor of nuclear factor kappa-B kinase subunit beta |
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| 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 |
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| Type: | Serine/threonine-protein kinase |
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| Mol. Mass.: | 86554.39 |
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| Organism: | Homo sapiens (Human) |
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| Description: | GST-tagged IKK-2 was expressed in High Five cells and purified. |
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| Residue: | 756 |
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| Sequence: | MSWSPSLTTQTCGAWEMKERLGTGGFGNVIRWHNQETGEQIAIKQCRQELSPRNRERWCL
EIQIMRRLTHPNVVAARDVPEGMQNLAPNDLPLLAMEYCQGGDLRKYLNQFENCCGLREG
AILTLLSDIASALRYLHENRIIHRDLKPENIVLQQGEQRLIHKIIDLGYAKELDQGSLCT
SFVGTLQYLAPELLEQQKYTVTVDYWSFGTLAFECITGFRPFLPNWQPVQWHSKVRQKSE
VDIVVSEDLNGTVKFSSSLPYPNNLNSVLAERLEKWLQLMLMWHPRQRGTDPTYGPNGCF
KALDDILNLKLVHILNMVTGTIHTYPVTEDESLQSLKARIQQDTGIPEEDQELLQEAGLA
LIPDKPATQCISDGKLNEGHTLDMDLVFLFDNSKITYETQISPRPQPESVSCILQEPKRN
LAFFQLRKVWGQVWHSIQTLKEDCNRLQQGQRAAMMNLLRNNSCLSKMKNSMASMSQQLK
AKLDFFKTSIQIDLEKYSEQTEFGITSDKLLLAWREMEQAVELCGRENEVKLLVERMMAL
QTDIVDLQRSPMGRKQGGTLDDLEEQARELYRRLREKPRDQRTEGDSQEMVRLLLQAIQS
FEKKVRVIYTQLSKTVVCKQKALELLPKVEEVVSLMNEDEKTVVRLQEKRQKELWNLLKI
ACSKVRGPVSGSPDSMNASRLSQPGQLMSQPSTASNSLPEPAKKSEELVAEAHNLCTLLE
NAIQDTVREQDQSFTALDWSWLQTEEEEHSCLEQAS
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| BDBM50186637 |
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| n/a |
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| Name | BDBM50186637 |
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| Synonyms: | 3-(3-methyl-ureido)-5-phenyl-thiophene-2-carboxylic acid amide | CHEMBL383723 |
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| Type | Small organic molecule |
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| Emp. Form. | C13H13N3O2S |
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| Mol. Mass. | 275.326 |
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| SMILES | CNC(=O)Nc1cc(sc1C(N)=O)-c1ccccc1 |
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| Structure | 
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