| Reaction Details |
|---|
 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
|---|
| Ligand | BDBM50401900 |
|---|
| Substrate/Competitor | n/a |
|---|
| Meas. Tech. | ChEMBL_886313 (CHEMBL2212356) |
|---|
| IC50 | 30±n/a nM |
|---|
| Citation |  McIver, EG; Bryans, J; Birchall, K; Chugh, J; Drake, T; Lewis, SJ; Osborne, J; Smiljanic-Hurley, E; Tsang, W; Kamal, A; Levy, A; Newman, M; Taylor, D; Arthur, JS; Clark, K; Cohen, P Synthesis and structure-activity relationships of a novel series of pyrimidines as potent inhibitors of TBK1/IKKe kinases. Bioorg Med Chem Lett22:7169-73 (2012) [PubMed] Article |
|---|
| More Info.: | Get all data from this article, Assay Method |
|---|
| |
| Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
|---|
| Name: | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
|---|
| Synonyms: | I kappa-B kinase epsilon | I-kappa-B Kinase 3 (IKK-epsilon) | I-kappa-B kinase epsilon (IKK-E) | I-kappa-B kinase epsilon (IKKE) | IKBKE | IKK-E | IKK-epsilon | IKK-i | IKKE | IKKE_HUMAN | IKKI | Inducible I kappa-B kinase | KIAA0151 | von Hippel-Lindau disease tumor suppressor/Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
|---|
| Type: | Serine/threonine-protein kinase |
|---|
| Mol. Mass.: | 80475.98 |
|---|
| Organism: | Homo sapiens (Human) |
|---|
| Description: | Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein. |
|---|
| Residue: | 716 |
|---|
| Sequence: | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLR
KLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVV
AGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYL
HPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTE
KPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFA
ETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCV
LEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLG
AGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSV
AGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSI
QQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKY
QASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKG
AQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
|
|
|
|---|
| BDBM50401900 |
|---|
| n/a |
|---|
| Name | BDBM50401900 |
|---|
| Synonyms: | CHEMBL2207198 |
|---|
| Type | Small organic molecule |
|---|
| Emp. Form. | C25H34N6O2 |
|---|
| Mol. Mass. | 450.5765 |
|---|
| SMILES | O=C(NCCCNc1nc(Nc2ccc(cc2)N2CCOCC2)ncc1C1CC1)C1CCC1 |
|---|
| Structure | 
|
|---|
Search and Browse
