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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50242694
Substrate
n/a
Meas. Tech.
ChEMBL_1672106 (CHEMBL4022135)
IC50
35±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:
BDBM50242694
Synonyms:
CHEMBL4060699 | US9932350, 3-1
Type:
Small organic molecule
Emp. Form.:
C18H21N5
Mol. Mass.:
307.3928
SMILES:
N#Cc1ccc2ncnc(N[C@H]3CC[C@@H](CC3)N3CCC3)c2c1 |r,wU:11.10,wD:14.17,(1.49,-18.86,;2.83,-19.63,;4.17,-20.4,;4.16,-21.94,;5.5,-22.72,;6.83,-21.94,;8.17,-22.7,;9.5,-21.93,;9.49,-20.38,;8.16,-19.62,;8.15,-18.08,;9.48,-17.3,;9.46,-15.77,;10.8,-15,;12.14,-15.76,;12.14,-17.31,;10.81,-18.08,;13.47,-14.99,;14.95,-15.39,;15.35,-13.9,;13.86,-13.5,;6.83,-20.39,;5.49,-19.63,)|
Structure:
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