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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50246811
Substrate
n/a
Meas. Tech.
ChEMBL_1676839 (CHEMBL4026982)
IC50
5.0±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:
BDBM50246811
Synonyms:
CHEMBL4063689
Type:
Small organic molecule
Emp. Form.:
C15H23N5
Mol. Mass.:
273.3766
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C)c12 |r,wU:6.9,wD:3.2,(14.98,-17.83,;13.65,-17.06,;13.66,-15.52,;12.32,-17.82,;10.98,-17.05,;9.64,-17.82,;9.65,-19.36,;10.98,-20.12,;12.31,-19.36,;8.32,-20.13,;8.32,-21.67,;9.66,-22.43,;9.66,-23.98,;8.33,-24.75,;6.99,-23.98,;5.53,-24.46,;4.61,-23.22,;5.51,-21.96,;5.03,-20.5,;6.99,-22.43,)|
Structure:
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