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Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM50246782
Substrate
n/a
Meas. Tech.
ChEMBL_1676839 (CHEMBL4026982)
IC50
16±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:
BDBM50246782
Synonyms:
CHEMBL4061227
Type:
Small organic molecule
Emp. Form.:
C19H29N5O
Mol. Mass.:
343.4665
SMILES:
CN(C)[C@H]1CC[C@@H](CC1)Nc1ncnc2[nH]cc(C3CCCOC3)c12 |r,wU:6.9,wD:3.2,(15.69,-16,;14.36,-15.23,;14.36,-13.69,;13.02,-16,;11.69,-15.22,;10.35,-15.99,;10.36,-17.53,;11.69,-18.3,;13.02,-17.54,;9.03,-18.3,;9.03,-19.84,;10.36,-20.6,;10.37,-22.15,;9.03,-22.92,;7.7,-22.15,;6.23,-22.64,;5.32,-21.4,;6.22,-20.14,;5.73,-18.68,;6.75,-17.53,;6.27,-16.07,;4.77,-15.75,;3.74,-16.9,;4.22,-18.37,;7.7,-20.61,)|
Structure:
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