| Reaction Details |
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 | Report a problem with these data |
| Target | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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| Ligand | BDBM277956 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | Biological Assays for TBK1 and IKKe |
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| IC50 | 1.000±n/a nM |
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| Citation |  Du, Z; Guerrero, JA; Kaplan, JA; Knox, Jr., JE; Lo, JR; Mitchell, SA; Naduthambi, D; Phillips, BW; Venkataramani, C; Wang, P; Watkins, WJ; Zhao, Z Tank-binding kinase inhibitor compounds US Patent US10253019 Publication Date 4/9/2019 |
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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 epsilon |
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| Name: | Inhibitor of nuclear factor kappa-B kinase subunit epsilon |
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| 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 |
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| Type: | Serine/threonine-protein kinase |
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| Mol. Mass.: | 80475.98 |
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| Organism: | Homo sapiens (Human) |
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| Description: | Kinase inhibitory activity was determined using recombinant human IKK-epsilon expressed in baculovirus as a FLAG-tagged fusion protein. |
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| Residue: | 716 |
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| Sequence: | MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLR
KLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVV
AGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYL
HPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTE
KPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFA
ETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCV
LEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLG
AGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSV
AGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSI
QQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKY
QASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKG
AQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
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| BDBM277956 |
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| n/a |
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| Name | BDBM277956 |
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| Synonyms: | 2-(((4R,5S)-5-fluoro-1-(2- hydroxyacetyl)-3,3- dimethylpiperidin-4- yl)oxy)-5-(4-((4-(4-(oxetan- 3-yl)piperazin-1- yl)phenyl)amino)-1,3,5- triazin-2-yl)benzonitrile | US10040781, Example 178 | US10253019, Example 178 |
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| Type | Small organic molecule |
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| Emp. Form. | C32H37FN8O4 |
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| Mol. Mass. | 616.6858 |
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| SMILES | CC1(C)CN(C[C@H](F)[C@@H]1Oc1ccc(cc1C#N)-c1ncnc(Nc2ccc(cc2)N2CCN(CC2)C2COC2)n1)C(=O)CO |r| |
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| Structure | 
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