Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM210715
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.2±n/a
Temperature
298.15±n/a K
IC50
1.50±n/a nM
Comments
extracted
Citation
 Bhide, RS; Duncia, JV; Hynes, J; Nair, SK; Pitts, WJ; Kumar, SR; Gardner, DS; Murugesan, N; Paidi, VR; Santella, JB; Sistla, R; Wu, H Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators US Patent  US9546153 Publication Date 1/17/2017 
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:
BDBM210715
Synonyms:
US9546153, ex. 503
Type:
Small organic molecule
Emp. Form.:
C24H30FN7O2
Mol. Mass.:
467.5391
SMILES:
CC(C)(O)C1CCC(CC1)NC(=O)c1cnc(Nc2nc3ccnn3cc2F)cc1NC1CC1 |(-9.85,1.16,;-8.52,1.93,;-8.52,3.47,;-9.85,2.7,;-7.19,1.15,;-5.85,1.92,;-4.52,1.15,;-4.52,-.39,;-5.85,-1.15,;-7.19,-.39,;-3.19,-1.16,;-1.85,-.39,;-1.85,1.15,;-.52,-1.16,;-.52,-2.7,;.82,-3.47,;2.15,-2.7,;3.48,-3.47,;4.82,-2.7,;6.15,-3.47,;7.48,-2.7,;8.95,-3.17,;9.85,-1.93,;8.95,-.68,;7.48,-1.16,;6.15,-.38,;4.82,-1.16,;3.48,-.39,;2.15,-1.16,;.82,-.39,;.82,1.15,;2.15,1.92,;3.69,1.92,;2.92,3.26,)|
Structure:
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