Compile Data Set for Download or QSAR
Found 12 Enz. Inhib. hit(s) with all data for assayid = 1 entry = 3497
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308051(US10011593, Ex. 3 | US9650366, 3)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20ClF3N8O2S/c26-19-4-2-16(11-18(19)25(27,28)29)33-24(39)32-15-3-5-20-13(8-15)10-21(40-20)17-9-14(12-31-22(17)30)23-34-36-37(35-23)6-1-7-38/h2-5,8-12,38H,1,6-7H2,(H2,30,31)(H2,32,33,39)
Affinity DataIC50: 39nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308056(US10011593, Ex. 6 | US9650366, 6)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(cc(c3)C(F)(F)F)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C26H20F6N8O2S/c27-25(28,29)15-9-16(26(30,31)32)11-18(10-15)36-24(42)35-17-2-3-20-13(6-17)8-21(43-20)19-7-14(12-34-22(19)33)23-37-39-40(38-23)4-1-5-41/h2-3,6-12,41H,1,4-5H2,(H2,33,34)(H2,35,36,42)
Affinity DataIC50: 66nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308055(US10011593, Ex. 5 | US9650366, 5)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3cc(F)cc(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20F4N8O2S/c26-16-9-15(25(27,28)29)10-18(11-16)33-24(39)32-17-2-3-20-13(6-17)8-21(40-20)19-7-14(12-31-22(19)30)23-34-36-37(35-23)4-1-5-38/h2-3,6-12,38H,1,4-5H2,(H2,30,31)(H2,32,33,39)
Affinity DataIC50: 76nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308057(US10011593, Ex. 8 | US9650366, 8)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCO)n1
Show InChI InChI=1S/C24H18ClF3N8O2S/c25-18-3-1-15(10-17(18)24(26,27)28)32-23(38)31-14-2-4-19-12(7-14)9-20(39-19)16-8-13(11-30-21(16)29)22-33-35-36(34-22)5-6-37/h1-4,7-11,37H,5-6H2,(H2,29,30)(H2,31,32,38)
Affinity DataIC50: 82nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308054(US10011593, Ex. 4 | US9650366, 4)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(F)c(c3)C(F)(F)F)ccc2s1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20F4N8O2S/c26-19-4-2-16(11-18(19)25(27,28)29)33-24(39)32-15-3-5-20-13(8-15)10-21(40-20)17-9-14(12-31-22(17)30)23-34-36-37(35-23)6-1-7-38/h2-5,8-12,38H,1,6-7H2,(H2,30,31)(H2,32,33,39)
Affinity DataIC50: 99nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308050(US10011593, Ex. 2 | US9650366, 2)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1nn[nH]n1
Show InChI InChI=1S/C22H14ClF3N8OS/c23-16-3-1-13(8-15(16)22(24,25)26)30-21(35)29-12-2-4-17-10(5-12)7-18(36-17)14-6-11(9-28-19(14)27)20-31-33-34-32-20/h1-9H,(H2,27,28)(H2,29,30,35)(H,31,32,33,34)
Affinity DataIC50: 140nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308060(US10011593, Ex. 11 | US9650366, 11)
Show SMILES Nc1ncc(cc1C#Cc1cccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)c1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C25H20ClF3N8O2/c26-21-8-7-19(13-20(21)25(27,28)29)33-24(39)32-18-4-1-3-15(11-18)5-6-16-12-17(14-31-22(16)30)23-34-36-37(35-23)9-2-10-38/h1,3-4,7-8,11-14,38H,2,9-10H2,(H2,30,31)(H2,32,33,39)
Affinity DataIC50: 158nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308063(US10011593, Ex. 14 | US9650366, 14)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1cnccn1
Show InChI InChI=1S/C25H16ClF3N6OS/c26-19-3-1-16(10-18(19)25(27,28)29)35-24(36)34-15-2-4-21-13(7-15)9-22(37-21)17-8-14(11-33-23(17)30)20-12-31-5-6-32-20/h1-12H,(H2,30,33)(H2,34,35,36)
Affinity DataIC50: 301nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308062(US10011593, Ex. 13 | US9650366, 13)
Show SMILES Nc1ncc(cc1-c1cc2cc(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)ccc2s1)-c1ncccn1
Show InChI InChI=1S/C25H16ClF3N6OS/c26-19-4-2-16(11-18(19)25(27,28)29)35-24(36)34-15-3-5-20-13(8-15)10-21(37-20)17-9-14(12-33-22(17)30)23-31-6-1-7-32-23/h1-12H,(H2,30,33)(H2,34,35,36)
Affinity DataIC50: 558nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308049(US10011593, Ex. 1 | US9650366, 1)
Show SMILES FC(F)(F)c1cc(NC(=O)Nc2ccc3sc(cc3c2)-c2cncc(c2)-c2nn[nH]n2)ccc1Cl
Show InChI InChI=1S/C22H13ClF3N7OS/c23-17-3-1-15(8-16(17)22(24,25)26)29-21(34)28-14-2-4-18-11(6-14)7-19(35-18)12-5-13(10-27-9-12)20-30-32-33-31-20/h1-10H,(H2,28,29,34)(H,30,31,32,33)
Affinity DataIC50: 727nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308058(US10011593, Ex. 9 | US9650366, 9)
Show SMILES Cc1ccoc1C(=O)Nc1cccc(c1)C#Cc1cncc(c1)-c1nnn(CCCO)n1
Show InChI InChI=1S/C23H20N6O3/c1-16-8-11-32-21(16)23(31)25-20-5-2-4-17(13-20)6-7-18-12-19(15-24-14-18)22-26-28-29(27-22)9-3-10-30/h2,4-5,8,11-15,30H,3,9-10H2,1H3,(H,25,31)
Affinity DataIC50: 1.00E+4nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetInterferon-induced, double-stranded RNA-activated protein kinase(Homo sapiens (Human))
Allergan Inc

US Patent
LigandPNGBDBM308061(US10011593, Ex. 12 | US9650366, 12)
Show SMILES OCCCn1nnc(n1)-c1cncc(c1)C#Cc1ccc(NC(=O)Nc2cc(ccc2F)C(F)(F)F)cc1
Show InChI InChI=1S/C25H19F4N7O2/c26-21-9-6-19(25(27,28)29)13-22(21)32-24(38)31-20-7-4-16(5-8-20)2-3-17-12-18(15-30-14-17)23-33-35-36(34-23)10-1-11-37/h4-9,12-15,37H,1,10-11H2,(H2,31,32,38)
Affinity DataIC50: 1.00E+4nMAssay Description:PKR: Commercially available recombinant human GST-PKR (SignalChem, Canada; 1.5 uM-2 uM stock) is diluted to 500 nM in assay buffer (20 mM Tris-HCl, p...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid