Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM388244
Substrate
n/a
Meas. Tech.
IRAK4 Inhibition Assay
IC50
2.00±n/a nM
Citation
 Gardner, DS; Santella, JB; Paidi, VR; Wu, H; Duncia, JV; Nair, SK; Hynes, J; Zhu, X Heteroaryl substituted aminopyridine compounds US Patent  US10294229 Publication Date 5/21/2019 
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:
BDBM388244
Synonyms:
US10294229, Example 394
Type:
Small organic molecule
Emp. Form.:
C25H28F2N10
Mol. Mass.:
506.5536
SMILES:
CC(C)Nc1cc(ncc1-c1cn(nn1)[C@H]1CC[C@@H](CC1)NCC(F)F)-n1ncc2cc(cnc12)C#N |r,wU:15.16,wD:18.23,(3.59,4.47,;3.59,2.93,;4.93,2.16,;2.26,2.16,;2.26,.62,;3.59,-.15,;3.59,-1.69,;2.26,-2.46,;.92,-1.69,;.92,-.15,;-.41,.62,;-1.65,-.28,;-2.9,.62,;-2.42,2.09,;-.88,2.09,;-4.39,.22,;-4.79,-1.26,;-6.27,-1.66,;-7.36,-.57,;-6.96,.91,;-5.48,1.31,;-8.85,-.97,;-9.94,.12,;-11.43,-.28,;-12.52,.81,;-11.83,-1.77,;4.93,-2.46,;4.93,-4,;6.39,-4.47,;7.3,-3.23,;8.83,-3.07,;9.45,-1.66,;8.55,-.41,;7.02,-.57,;6.39,-1.98,;10.98,-1.5,;12.52,-1.34,)|
Structure:
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