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Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Ligand
BDBM278082
Substrate
n/a
Meas. Tech.
TBK1 and IKKE Biological Assays
pH
7±n/a
IC50
<1±n/a nM
Comments
extracted
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  US10040781 Publication Date 8/7/2018 
Target
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:
MQSTANYLWHTDDLLGQGATASVYKARNKKSGELVAVKVFNTTSYLRPREVQVREFEVLRKLNHQNIVKLFAVEETGGSRQKVLVMEYCSSGSLLSVLESPENAFGLPEDEFLVVLRCVVAGMNHLRENGIVHRDIKPGNIMRLVGEEGQSIYKLTDFGAARELDDDEKFVSVYGTEEYLHPDMYERAVLRKPQQKAFGVTVDLWSIGVTLYHAATGSLPFIPFGGPRRNKEIMYRITTEKPAGAIAGAQRRENGPLEWSYTLPITCQLSLGLQSQLVPILANILEVEQAKCWGFDQFFAETSDILQRVVVHVFSLSQAVLHHIYIHAHNTIAIFQEAVHKQTSVAPRHQEYLFEGHLCVLEPSVSAQHIAHTTASSPLTLFSTAIPKGLAFRDPALDVPKFVPKVDLQADYNTAKGVLGAGYQALRLARALLDGQELMFRGLHWVMEVLQATCRRTLEVARTSLLYLSSSLGTERFSSVAGTPEIQELKAAAELRSRLRTLAEVLSRCSQNITETQESLSSLNRELVKSRDQVHEDRSIQQIQCCLDKMNFIYKQFKKSRMRPGLGYNEEQIHKLDKVNFSHLAKRLLQVFQEECVQKYQASLVTHGKRMRVVHETRNHLRLVGCSVAACNTEAQGVQESLSKLLEELSHQLLQDRAKGAQASPPPIAPYPSPTRKDLLLHMQELCEGMKLLASDLLDNNRIIERLNRVPAPPDV
  
Inhibitor
Name:
BDBM278082
Synonyms:
(S)-2-((3,3-difluoro-1-formylpiperidin-4-yl)oxy)-5-(4-((3-methyl-4-(1-methylpiperidin-4-yl)phenyl)amino)-1,3,5-triazin-2-yl)benzonitrile | US10040781, Example 304 | US10253019, Example 304
Type:
Small organic molecule
Emp. Form.:
C29H31F2N7O2
Mol. Mass.:
547.5989
SMILES:
CN1CCC(CC1)c1ccc(Nc2ncnc(n2)-c2ccc(O[C@H]3CCN(CC3(F)F)C=O)c(c2)C#N)cc1C |r|
Structure:
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