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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50242730
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:
BDBM50242730
Synonyms:
CHEMBL4072093 | US9926330, 4-1
Type:
Small organic molecule
Emp. Form.:
C18H26N4
Mol. Mass.:
298.4258
SMILES:
CCc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c2c1 |r,wU:11.10,wD:14.17,(36.06,-7.59,;36.07,-9.13,;37.4,-9.9,;37.4,-11.45,;38.73,-12.22,;40.06,-11.44,;41.4,-12.2,;42.73,-11.43,;42.73,-9.88,;41.39,-9.12,;41.38,-7.58,;42.71,-6.8,;42.7,-5.27,;44.03,-4.5,;45.37,-5.26,;45.37,-6.81,;44.05,-7.58,;46.7,-4.49,;48.04,-5.26,;46.7,-2.95,;40.06,-9.89,;38.73,-9.13,)|
Structure:
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