Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM388193
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:
BDBM388193
Synonyms:
US10294229, Example 342
Type:
Small organic molecule
Emp. Form.:
C28H34N10O2
Mol. Mass.:
542.6354
SMILES:
CC(C)Nc1cc(ncc1-n1cc(nn1)C1CCC(CC1)NC(=O)OC(C)(C)C)-n1ncc2cc(cnc12)C#N |(3.91,4.39,;3.91,2.85,;5.25,2.08,;2.58,2.08,;2.58,.54,;3.91,-.23,;3.91,-1.77,;2.58,-2.54,;1.25,-1.77,;1.25,-.23,;-.09,.54,;-1.49,-.09,;-2.52,1.06,;-1.75,2.39,;-.25,2.07,;-4.06,.9,;-4.96,2.14,;-6.49,1.98,;-7.12,.58,;-6.21,-.67,;-4.68,-.51,;-8.65,.41,;-9.26,-1,;-8.35,-2.24,;-10.79,-1.17,;-11.19,-2.66,;-12.68,-3.06,;-10.1,-3.75,;-11.59,-4.15,;5.25,-2.54,;5.41,-4.07,;6.92,-4.39,;7.69,-3.06,;9.19,-2.74,;9.67,-1.27,;8.64,-.13,;7.13,-.45,;6.66,-1.91,;11.17,-.95,;12.68,-.63,)|
Structure:
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