Reaction Details Report a problem with these data
Target
Inhibitor of nuclear factor kappa-B kinase subunit epsilon
Ligand
BDBM50520161
Substrate
n/a
Meas. Tech.
ChEMBL_1879125 (CHEMBL4380519)
IC50
7.0±n/a nM
Citation
 Lefranc, J; Schulze, VK; Hillig, RC; Briem, H; Prinz, F; Mengel, A; Heinrich, T; Balint, J; Rengachari, S; Irlbacher, H; Stöckigt, D; Bömer, U; Bader, B; Gradl, SN; Nising, CF; von Nussbaum, F; Mumberg, D; Panne, D; Wengner, AM Discovery of BAY-985, a Highly Selective TBK1/IKK? Inhibitor. J Med Chem 63:601-612 (2020) [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:
BDBM50520161
Synonyms:
CHEMBL4468020 | US10894784, Example 39.01.02
Type:
Small organic molecule
Emp. Form.:
C27H29F3N8O
Mol. Mass.:
538.5674
SMILES:
FC(F)(F)CC(=O)N1CCN(Cc2ccnc(Nc3nc4ccc(cc4[nH]3)-c3cnn(CC4CC4)c3)c2)CC1
Structure:
Search PDB for entries with ligand similarity: