Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM294298'
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM294298(US9586948, Example 17)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C22H25N7O3/c1-29-13-18(20(28-29)21(23)30)27-22(31)17-4-2-3-16(26-17)15-5-8-24-19(11-15)25-12-14-6-9-32-10-7-14/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,23,30)(H,24,25)(H,27,31)
Affinity DataIC50: 477nMpH: 7.2Assay Description:The kinase activity of IRAK4 is determined by its ability to catalyze the phosphorylation of a fluorescent polypeptide substrate. The extent of phosp...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM294298(US9586948, Example 17)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C22H25N7O3/c1-29-13-18(20(28-29)21(23)30)27-22(31)17-4-2-3-16(26-17)15-5-8-24-19(11-15)25-12-14-6-9-32-10-7-14/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,23,30)(H,24,25)(H,27,31)
Affinity DataIC50: 478nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expressed in baculovirus infected Sf9 insect cells using 5FAM-RKRQGSVRRRVH-CO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM294298(US9586948, Example 17)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CCOCC3)c2)c(n1)C(N)=O
Show InChI InChI=1S/C22H25N7O3/c1-29-13-18(20(28-29)21(23)30)27-22(31)17-4-2-3-16(26-17)15-5-8-24-19(11-15)25-12-14-6-9-32-10-7-14/h2-5,8,11,13-14H,6-7,9-10,12H2,1H3,(H2,23,30)(H,24,25)(H,27,31)
Affinity DataIC50: 478nMAssay Description:Inhibition of human recombinant N-terminal GST-tagged full-length IRAK4 expressed in baculovirus infected Sf9 insect cells using 5FAM-RKRQGSVRRRVH-CO...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid