BDBM294324 US9586948, Example 43

SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1

InChI Key InChIKey=KKLQVBKTFJXCAV-UHFFFAOYSA-N

Data  3 IC50

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   Substructure
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Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 294324   

TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Merck Sharp & Dohme Corp

US Patent
LigandPNGBDBM294324(US9586948, Example 43)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1
Show InChI InChI=1S/C24H23N9O2/c1-33-13-20(22(32-33)24(35)29-17-11-25-14-26-12-17)31-23(34)19-4-2-3-18(30-19)16-7-8-27-21(9-16)28-10-15-5-6-15/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,27,28)(H,29,35)(H,31,34)
Affinity DataIC50: 1.58E+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
LigandPNGBDBM294324(US9586948, Example 43)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1
Show InChI InChI=1S/C24H23N9O2/c1-33-13-20(22(32-33)24(35)29-17-11-25-14-26-12-17)31-23(34)19-4-2-3-18(30-19)16-7-8-27-21(9-16)28-10-15-5-6-15/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,27,28)(H,29,35)(H,31,34)
Affinity DataIC50: 1.58E+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
LigandPNGBDBM294324(US9586948, Example 43)
Show SMILES Cn1cc(NC(=O)c2cccc(n2)-c2ccnc(NCC3CC3)c2)c(n1)C(=O)Nc1cncnc1
Show InChI InChI=1S/C24H23N9O2/c1-33-13-20(22(32-33)24(35)29-17-11-25-14-26-12-17)31-23(34)19-4-2-3-18(30-19)16-7-8-27-21(9-16)28-10-15-5-6-15/h2-4,7-9,11-15H,5-6,10H2,1H3,(H,27,28)(H,29,35)(H,31,34)
Affinity DataIC50: 1.58E+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