Reaction Details  Report a problem with these data
Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Ligand
BDBM245956
Substrate
n/a
Meas. Tech.
Time-Resolved Fluorescence-based Lanthascreen Assay
pH
7.5±n/a
IC50
<15±n/a nM
Comments
extracted
Citation
 Newton, GK; Stewart, MR; Perrior, TR; Crosby, SR; Hopkins, A; Negoita-Giras, G; Jenkins, K Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms US Patent  US9433622 Publication Date 9/6/2016
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:
BDBM245956
Synonyms:
US9433622, DMX- 28
Type:
Small organic molecule
Emp. Form.:
C27H28F2N8O
Mol. Mass.:
518.561
SMILES:
CN1CCC(CC1)NC(=O)c1ccc(Nc2ncc(F)c(n2)-c2cnc(N3CC[C@H](F)C3)c(c2)C#N)cc1 |r|
Structure:
Search PDB for entries with ligand similarity: