Reaction Details Report a problem with these data
Target
Interleukin-1 receptor-associated kinase 4
Ligand
BDBM188076
Substrate
n/a
Meas. Tech.
Inhibition Assay
pH
7.2±n/a
IC50
4±n/a nM
Citation
 Santella, JB; Kumar, SR; Duncia, JV; Gardner, DS; Paidi, VR; Nair, SK; Hynes, J; Wu, H; Murugesan, N; Sarkunam, K; Arunachalam, P Heteroaryl substituted nicotinamide compounds US Patent  US9169252 Publication Date 10/27/2015 
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:
BDBM188076
Synonyms:
US9169252, 607
Type:
Small organic molecule
Emp. Form.:
C25H30FN7O3
Mol. Mass.:
495.5492
SMILES:
CC(C)(O)[C@H](F)CNC(=O)c1cnc(cc1N[C@H]1CC[C@@](C)(O)CC1)-n1ncc2cc(cnc12)C#N |r,wU:17.17,4.4,20.22,wD:20.21,(-7.56,1.16,;-8.33,-.17,;-9.1,1.16,;-9.66,-.94,;-7,-.94,;-7,-2.48,;-5.66,-.17,;-4.33,-.94,;-2.99,-.17,;-2.99,1.37,;-1.66,-.94,;-1.66,-2.48,;-.33,-3.25,;1.01,-2.48,;1.01,-.94,;-.33,-.17,;-.33,1.37,;1.01,2.14,;1.01,3.68,;2.34,4.45,;3.67,3.68,;5.21,3.68,;4.44,5.01,;3.67,2.14,;2.34,1.37,;2.34,-3.25,;2.58,-4.77,;4.1,-5.01,;4.8,-3.64,;6.29,-3.24,;6.69,-1.75,;5.6,-.67,;4.11,-1.06,;3.71,-2.55,;8.18,-1.36,;9.66,-.96,)|
Structure:
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