Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM438637
Substrate
n/a
Meas. Tech.
IRAK4 Inhibition Assay
IC50
2.00±n/a nM
Citation
 Duncia, JV; Gardner, DS; Hynes, J; Macor, JE; Murugesan, N; Santella, JB; Wu, H; Kantheti, D; Nair, SK; Paidi, VR; Kumar, SR; Sarkunam, K; Sistla, RK; Polimera, SR Heteroaryl substituted aminopyridine compounds US Patent  US10618903 Publication Date 4/14/2020 
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:
BDBM438637
Synonyms:
US10618903, Example 204
Type:
Small organic molecule
Emp. Form.:
C27H34FN7O3
Mol. Mass.:
523.6024
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@H](CC1)C(C)(C)O)-c1cnc2cc(cnn12)C#N |r,wU:17.17,4.4,wD:20.24,(-7.69,.83,;-8.46,-.51,;-9.23,.83,;-9.8,-1.28,;-7.13,-1.28,;-7.13,-2.82,;-5.8,-.51,;-4.46,-1.28,;-3.13,-.51,;-3.13,1.03,;-1.79,-1.28,;-1.79,-2.82,;-.46,-3.59,;.87,-2.82,;.87,-1.28,;-.46,-.51,;-.46,1.03,;.87,1.8,;.87,3.34,;2.21,4.11,;3.54,3.34,;3.54,1.8,;2.21,1.03,;4.87,4.11,;6.21,3.34,;4.47,5.6,;6.21,4.88,;2.21,-3.59,;2.21,-5.13,;3.67,-5.6,;4.58,-4.36,;6.11,-4.19,;6.73,-2.79,;5.83,-1.54,;4.3,-1.7,;3.67,-3.11,;8.27,-2.63,;9.8,-2.47,)|
Structure:
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