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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50246802
Substrate
n/a
Meas. Tech.
ChEMBL_1676839 (CHEMBL4026982)
IC50
13±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:
BDBM50246802
Synonyms:
CHEMBL4077215
Type:
Small organic molecule
Emp. Form.:
C16H25N5
Mol. Mass.:
287.4032
SMILES:
CCc1c[nH]c2ncnc(N[C@H]3CC[C@@H](CC3)N(C)C)c12 |r,wU:11.10,wD:14.17,(5.93,-20.34,;4.91,-21.49,;5.4,-22.95,;4.5,-24.21,;5.41,-25.45,;6.88,-24.96,;8.21,-25.73,;9.55,-24.96,;9.54,-23.42,;8.21,-22.65,;8.21,-21.11,;9.54,-20.34,;9.53,-18.8,;10.87,-18.04,;12.2,-18.81,;12.19,-20.35,;10.87,-21.11,;13.53,-18.04,;14.86,-18.82,;13.54,-16.51,;6.87,-23.42,)|
Structure:
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