Compile Data Set for Download or QSAR
Found 3 Enz. Inhib. hit(s) with Target = 'Interleukin-1 receptor-associated kinase 4' and Ligand = 'BDBM294331'
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM294331(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
Affinity DataIC50: 2.68E+3nMpH: 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
LigandPNGBDBM294331(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
Affinity DataIC50: 2.68E+3nMAssay 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
LigandPNGBDBM294331(US9586948, Example 50)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)NCCn1cccn1
Show InChI InChI=1S/C25H27N9O2/c1-33-16-21(23(32-33)25(36)27-11-13-34-12-3-9-29-34)31-24(35)20-5-2-4-19(30-20)18-8-10-26-22(14-18)28-15-17-6-7-17/h2-5,8-10,12,14,16-17H,6-7,11,13,15H2,1H3,(H,26,28)(H,27,36)(H,31,35)
Affinity DataIC50: 2.68E+3nMAssay 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