Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50242702
Substrate
n/a
Meas. Tech.
ChEMBL_1672106 (CHEMBL4022135)
IC50
32±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:
BDBM50242702
Synonyms:
CHEMBL4082572 | US9932350, 1-1
Type:
Small organic molecule
Emp. Form.:
C15H17N5
Mol. Mass.:
267.329
SMILES:
N[C@H]1CC[C@@H](CC1)Nc1ncnc2ccc(cc12)C#N |r,wU:4.7,wD:1.0,(14.11,-3.62,;12.78,-4.39,;11.44,-3.63,;10.11,-4.4,;10.12,-5.93,;11.46,-6.7,;12.78,-5.93,;8.79,-6.71,;8.8,-8.25,;10.13,-9.01,;10.14,-10.56,;8.81,-11.33,;7.47,-10.56,;6.14,-11.34,;4.81,-10.57,;4.81,-9.03,;6.14,-8.26,;7.47,-9.02,;3.48,-8.26,;2.14,-7.48,)|
Structure:
Search PDB for entries with ligand similarity: