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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50242705
Substrate
n/a
Meas. Tech.
ChEMBL_1672106 (CHEMBL4022135)
IC50
7400±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:
BDBM50242705
Synonyms:
CHEMBL4091329 | US9932350, 2-3
Type:
Small organic molecule
Emp. Form.:
C18H26N4O2
Mol. Mass.:
330.4246
SMILES:
COc1cc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2cc1OC |r,wU:10.9,wD:13.16,(54.59,-10.73,;55.92,-11.5,;57.26,-10.73,;58.59,-11.5,;59.92,-10.73,;61.26,-11.49,;62.59,-10.72,;62.58,-9.17,;61.25,-8.41,;61.24,-6.87,;62.57,-6.09,;62.56,-4.56,;63.89,-3.79,;65.23,-4.56,;65.23,-6.1,;63.9,-6.87,;66.56,-3.78,;67.9,-4.55,;66.56,-2.24,;59.92,-9.18,;58.59,-8.42,;57.26,-9.19,;55.93,-8.42,;54.59,-9.19,)|
Structure:
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