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Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Ligand
BDBM50379367
Substrate
n/a
Meas. Tech.
ChEMBL_811984 (CHEMBL2013354)
IC50
122±n/a nM
Citation
 Wang, T; Block, MA; Cowen, S; Davies, AM; Devereaux, E; Gingipalli, L; Johannes, J; Larsen, NA; Su, Q; Tucker, JA; Whitston, D; Wu, J; Zhang, HJ; Zinda, M; Chuaqui, C Discovery of azabenzimidazole derivatives as potent, selective inhibitors of TBK1/IKKe kinases. Bioorg Med Chem Lett 22:2063-9 (2012) [PubMed]  Article 
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:
BDBM50379367
Synonyms:
CHEMBL2011945
Type:
Small organic molecule
Emp. Form.:
C21H23BrFN5O2
Mol. Mass.:
476.342
SMILES:
COc1ccc(F)cc1-c1nc2ncc(Br)c(NCCCNC(=O)C3CCC3)c2[nH]1
Structure:
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