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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50242728
Substrate
n/a
Meas. Tech.
ChEMBL_1672106 (CHEMBL4022135)
IC50
17±n/a nM
Citation
 Smith, GF; Altman, MD; Andresen, B; Baker, J; Brubaker, JD; Chen, H; Chen, Y; Childers, M; Donofrio, A; Ferguson, H; Fischer, C; Fischmann, TO; Gibeau, C; Hicks, A; Jin, S; Kattar, S; Kleinschek, MA; Leccese, E; Lesburg, C; Li, C; Lim, J; Liu, D; Maclean, JKF; Mansoor, F; Moy, LY; Mulrooney, EF; Necheva, AS; Presland, J; Rakhilina, L; Yang, R; Torres, L; Zhang-Hoover, J; Northrup, A Identification of quinazoline based inhibitors of IRAK4 for the treatment of inflammation. Bioorg Med Chem Lett 27:2721-2726 (2017) [PubMed]  Article 
Target
Name:
Interleukin-1 receptor-associated kinase 4
Synonyms:
IRAK-4 | IRAK4 | IRAK4_HUMAN | Interleukin-1 receptor-associated kinase 4 (IRAK-4) | Interleukin-1 receptor-associated kinase 4 (IRAK4) | Renal carcinoma antigen NY-REN-64
Type:
Protein
Mol. Mass.:
51519.08
Organism:
Homo sapiens (Human)
Description:
Q9NWZ3
Residue:
460
Sequence:
MNKPITPSTYVRCLNVGLIRKLSDFIDPQEGWKKLAVAIKKPSGDDRYNQFHIRRFEALLQTGKSPTSELLFDWGTTNCTVGDLVDLLIQNEFFAPASLLLPDAVPKTANTLPSKEAITVQQKQMPFCDKDRTLMTPVQNLEQSYMPPDSSSPENKSLEVSDTRFHSFSFYELKNVTNNFDERPISVGGNKMGEGGFGVVYKGYVNNTTVAVKKLAAMVDITTEELKQQFDQEIKVMAKCQHENLVELLGFSSDGDDLCLVYVYMPNGSLLDRLSCLDGTPPLSWHMRCKIAQGAANGINFLHENHHIHRDIKSANILLDEAFTAKISDFGLARASEKFAQTVMTSRIVGTTAYMAPEALRGEITPKSDIYSFGVVLLEIITGLPAVDEHREPQLLLDIKEEIEDEEKTIEDYIDKKMNDADSTSVEAMYSVASQCLHEKKNKRPDIKKVQQLLQEMTAS
  
Inhibitor
Name:
BDBM50242728
Synonyms:
CHEMBL4087971 | US9932350, 3-30
Type:
Small organic molecule
Emp. Form.:
C20H26N6
Mol. Mass.:
350.4606
SMILES:
CN1CCN(CC1)[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:10.14,wD:7.7,(18.28,-33.72,;16.95,-34.49,;16.94,-36.03,;15.61,-36.8,;14.28,-36.03,;14.27,-34.49,;15.61,-33.72,;12.95,-36.8,;11.61,-36.03,;10.28,-36.8,;10.29,-38.34,;11.63,-39.11,;12.95,-38.34,;8.96,-39.11,;8.97,-40.65,;10.31,-41.41,;10.31,-42.96,;8.98,-43.73,;7.65,-42.97,;6.31,-43.75,;4.98,-42.98,;4.98,-41.43,;6.31,-40.66,;7.64,-41.43,;3.65,-40.66,;2.31,-39.89,)|
Structure:
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