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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50246789
Substrate
n/a
Meas. Tech.
ChEMBL_1676839 (CHEMBL4026982)
IC50
6.0±n/a nM
Citation
 Scott, JS; Degorce, SL; Anjum, R; Culshaw, J; Davies, RDM; Davies, NL; Dillman, KS; Dowling, JE; Drew, L; Ferguson, AD; Groombridge, SD; Halsall, CT; Hudson, JA; Lamont, S; Lindsay, NA; Marden, SK; Mayo, MF; Pease, JE; Perkins, DR; Pink, JH; Robb, GR; Rosen, A; Shen, M; McWhirter, C; Wu, D Discovery and Optimization of Pyrrolopyrimidine Inhibitors of Interleukin-1 Receptor Associated Kinase 4 (IRAK4) for the Treatment of Mutant MYD88 J Med Chem 60:10071-10091 (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:
BDBM50246789
Synonyms:
CHEMBL4097418
Type:
Small organic molecule
Emp. Form.:
C19H29N5
Mol. Mass.:
327.4671
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCC3)c12 |r,wU:6.9,wD:3.2,(17.96,-17.39,;16.63,-16.62,;16.63,-15.08,;15.29,-17.38,;13.96,-16.61,;12.62,-17.38,;12.63,-18.92,;13.96,-19.69,;15.29,-18.92,;11.3,-19.69,;11.3,-21.23,;12.63,-21.99,;12.64,-23.54,;11.3,-24.31,;9.97,-23.54,;8.5,-24.03,;7.59,-22.79,;8.49,-21.53,;8,-20.07,;8.9,-18.81,;7.99,-17.57,;6.52,-18.05,;6.54,-19.59,;9.96,-22,)|
Structure:
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