Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM209848
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.2±n/a
Temperature
298.15±n/a K
IC50
2.00±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:
BDBM209848
Synonyms:
US9546153, ex. 195
Type:
Small organic molecule
Emp. Form.:
C26H34N6O2S
Mol. Mass.:
494.652
SMILES:
CC(C)NC(=O)[C@H]1CC[C@@H](CC1)NC(=O)c1cnc(Nc2ccc3ncsc3c2)cc1NC(C)C |r,wU:6.5,wD:9.12,(-10.8,3.2,;-9.31,3.6,;-8.92,5.09,;-8.23,2.51,;-6.74,2.91,;-6.34,4.4,;-5.65,1.82,;-4.16,2.22,;-3.07,1.13,;-3.47,-.36,;-4.96,-.76,;-6.05,.33,;-2.38,-1.45,;-1.05,-.68,;-1.05,.86,;.29,-1.45,;.29,-2.99,;1.62,-3.76,;2.95,-2.99,;4.29,-3.76,;5.77,-3.36,;6.25,-1.89,;7.76,-1.57,;8.79,-2.72,;10.33,-2.72,;10.8,-4.18,;9.56,-5.09,;8.31,-4.18,;6.8,-4.5,;2.95,-1.45,;1.62,-.68,;1.62,.86,;2.95,1.63,;2.95,3.17,;4.49,1.63,)|
Structure:
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