Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM438719
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:
BDBM438719
Synonyms:
US10618903, Example 286
Type:
Small organic molecule
Emp. Form.:
C28H31N9O2
Mol. Mass.:
525.6048
SMILES:
CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(cc1Nc1cnn(c1)C1CC1)-c1cnc2cc(cnn12)C#N |r,wU:7.10,wD:4.3,(-10.46,1.93,;-9.13,2.69,;-9.13,4.23,;-10.46,3.47,;-7.8,1.93,;-7.8,.38,;-6.46,-.38,;-5.13,.38,;-5.13,1.93,;-6.46,2.69,;-3.8,-.38,;-2.46,.38,;-2.46,1.93,;-1.13,-.38,;-1.13,-1.93,;.21,-2.69,;1.54,-1.93,;1.54,-.38,;.21,.38,;.21,1.93,;1.54,2.69,;1.54,4.23,;3,4.71,;3.91,3.47,;3,2.22,;5.45,3.47,;6.78,2.69,;6.78,4.23,;2.87,-2.69,;2.87,-4.23,;4.34,-4.71,;5.24,-3.47,;6.77,-3.3,;7.4,-1.9,;6.5,-.65,;4.96,-.81,;4.34,-2.22,;8.93,-1.74,;10.46,-1.58,)|
Structure:
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