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Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Ligand
BDBM570886
Substrate
n/a
Meas. Tech.
IKKe Biochemical Assay
IC50
<100±n/a nM
Citation
 Karra, SR; Xiao, Y; Sherer, B; Checkler, E Pyrimidine TBK/IKKe inhibitor compounds and uses thereof US Patent  US11440899 Publication Date 9/13/2022 
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:
BDBM570886
Synonyms:
US11440899, Example 89
Type:
Small organic molecule
Emp. Form.:
C30H33N7O4
Mol. Mass.:
555.6275
SMILES:
COc1nc(Nc2cc(ncn2)-c2ccc(OC3CCOCC3)c(c2)C#N)ccc1C(=O)NC1CN2CCC1CC2 |(4.26,-18.7,;4.26,-17.36,;3.09,-16.68,;2.08,-17.64,;.75,-16.87,;-.59,-17.64,;-1.92,-16.87,;-1.92,-15.33,;-3.26,-14.56,;-4.59,-15.33,;-4.59,-16.87,;-3.26,-17.64,;-3.26,-13.02,;-4.59,-12.25,;-4.59,-10.71,;-3.26,-9.94,;-3.26,-8.4,;-4.59,-7.63,;-4.59,-6.09,;-5.92,-5.32,;-7.26,-6.09,;-7.26,-7.63,;-5.92,-8.4,;-1.92,-10.71,;-1.92,-12.25,;-.59,-9.94,;.75,-9.17,;.75,-15.33,;2.08,-14.56,;3.41,-15.33,;4.75,-14.56,;4.75,-13.02,;6.08,-15.33,;7.41,-14.56,;8.75,-15.33,;10.08,-14.56,;10.08,-13.02,;8.75,-12.25,;7.41,-13.02,;8.72,-12.85,;9.68,-13.33,)|
Structure:
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