Compile Data Set for Download or QSAR
Found 149 with Last Name = 'kilty' and Initial = 'i'
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.100nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239500(CHEMBL4066705 | US10329302, Example 337 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1
Affinity DataIC50: 0.100nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
Affinity DataIC50: 0.200nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239498(CHEMBL4093120 | US10329302, Example 189 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H](F)[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14-/m0/s1
Affinity DataIC50: 0.300nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234911(CHEMBL3928932)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)
Affinity DataIC50: 0.400nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234908(CHEMBL4093813)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)
Affinity DataIC50: 0.5nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239507(CHEMBL4091434 | US10329302, Example 246 | US107935...)
Show SMILES CC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12
Show InChI InChI=1S/C18H21N3O4/c1-3-10-7-16(22)21-14(10)9-25-18-12-8-15(24-2)13(17(19)23)6-11(12)4-5-20-18/h4-6,8,10,14H,3,7,9H2,1-2H3,(H2,19,23)(H,21,22)/t10-,14-/m1/s1
Affinity DataIC50: 0.5nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239508(CHEMBL4085199 | US10329302, Example 309 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@]4(F)[C@@H](C)[C@H]34)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H18FN3O4/c1-8-14-12(22-17(24)18(8,14)19)7-26-16-10-6-13(25-2)11(15(20)23)5-9(10)3-4-21-16/h3-6,8,12,14H,7H2,1-2H3,(H2,20,23)(H,22,24)/t8-,12+,14+,18-/m0/s1
Affinity DataIC50: 0.600nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234903(CHEMBL4103980)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 0.800nMAssay Description:Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 0.900nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239493(CHEMBL4103497 | US10329302, Example 312 | US107935...)
Show SMILES CCC[C@@H]1CC(=O)N[C@@H]1COc1nccc2cc(C(N)=O)c(OC)cc12
Show InChI InChI=1S/C19H23N3O4/c1-3-4-12-8-17(23)22-15(12)10-26-19-13-9-16(25-2)14(18(20)24)7-11(13)5-6-21-19/h5-7,9,12,15H,3-4,8,10H2,1-2H3,(H2,20,24)(H,22,23)/t12-,15-/m1/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239491(CHEMBL4083655 | US10329302, Example 173 | US107935...)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)cccc2cc1C(N)=O
Show InChI InChI=1S/C17H18N2O4/c1-22-15-8-12-10(7-13(15)17(18)21)3-2-4-14(12)23-9-11-5-6-16(20)19-11/h2-4,7-8,11H,5-6,9H2,1H3,(H2,18,21)(H,19,20)/t11-/m0/s1
Affinity DataIC50: 1.30nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234909(CHEMBL4069951)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O3S/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(31(2,29)30)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234909(CHEMBL4069951)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O3S/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(31(2,29)30)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 1.30nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139691(US8895544, 1)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C28H23F2N5O2/c1-2-15-12-25(36)21(30)13-20(15)17-5-8-19-23(11-17)33-34-26(19)27-31-22-9-10-35(14-24(22)32-27)28(37)16-3-6-18(29)7-4-16/h3-8,11-13,36H,2,9-10,14H2,1H3,(H,31,32)(H,33,34)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234913(CHEMBL4096219)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)
Affinity DataIC50: 1.70nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234910(CHEMBL4097152)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc3ccccc3)Cc2[nH]1
Show InChI InChI=1S/C28H26FN5O/c1-2-18-13-26(35)22(29)14-21(18)19-8-9-20-24(12-19)32-33-27(20)28-30-23-10-11-34(16-25(23)31-28)15-17-6-4-3-5-7-17/h3-9,12-14,35H,2,10-11,15-16H2,1H3,(H,30,31)(H,32,33)
Affinity DataIC50: 1.80nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239506(CHEMBL4071526 | US10329302, Example 188 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](F)[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1S/C17H18FN3O4/c1-8-12(21-16(23)14(8)18)7-25-17-10-6-13(24-2)11(15(19)22)5-9(10)3-4-20-17/h3-6,8,12,14H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+/m0/s1
Affinity DataIC50: 1.90nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrsMore data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of IRAK4 in human whole blood assessed as reduction R848-induced IL-6 secretion by measuring plasma protein binding corrected IC50 preincu...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239499(CHEMBL4081711 | US10329302, Example 344 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15-/m0/s1
Affinity DataIC50: 2nMAssay Description:Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production by measuring plasma protein binding corrected IC50 af...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234912(CHEMBL4066236)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 2.10nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM139694(US8895544, 4)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C(=O)c1cnc(cn1)N1CCCCC1
Show InChI InChI=1S/C31H31FN8O2/c1-2-18-13-27(41)22(32)14-21(18)19-6-7-20-24(12-19)37-38-29(20)30-35-23-8-11-40(17-26(23)36-30)31(42)25-15-34-28(16-33-25)39-9-4-3-5-10-39/h6-7,12-16,41H,2-5,8-11,17H2,1H3,(H,35,36)(H,37,38)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234911(CHEMBL3928932)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H18N4O/c1-2-13-11-15(27)8-10-16(13)14-7-9-17-20(12-14)25-26-21(17)22-23-18-5-3-4-6-19(18)24-22/h3-12,27H,2H2,1H3,(H,23,24)(H,25,26)
Affinity DataIC50: 2.20nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234899(CHEMBL4089515)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CC[C@H](C1)S(=O)(=O)c1cccc(O)c1
Show InChI InChI=1S/C24H30N6O4S/c1-16-7-10-30(14-21(16)28(2)23-20-6-9-25-22(20)26-15-27-23)24(32)29-11-8-19(13-29)35(33,34)18-5-3-4-17(31)12-18/h3-6,9,12,15-16,19,21,31H,7-8,10-11,13-14H2,1-2H3,(H,25,26,27)/t16-,19-,21+/m1/s1
Affinity DataIC50: 2.30nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239497(CHEMBL4084228 | US10329302, Example 271 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4[C@@H](C)[C@H]34)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H19N3O4/c1-8-14-12(21-17(23)15(8)14)7-25-18-10-6-13(24-2)11(16(19)22)5-9(10)3-4-20-18/h3-6,8,12,14-15H,7H2,1-2H3,(H2,19,22)(H,21,23)/t8-,12+,14+,15+/m0/s1
Affinity DataIC50: 2.40nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239492(CHEMBL4070515 | US10329302, Example 211 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)C[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1S/C17H19N3O4/c1-9-5-15(21)20-13(9)8-24-17-11-7-14(23-2)12(16(18)22)6-10(11)3-4-19-17/h3-4,6-7,9,13H,5,8H2,1-2H3,(H2,18,22)(H,20,21)/t9-,13-/m1/s1
Affinity DataIC50: 2.70nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234912(CHEMBL4066236)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 2.90nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234908(CHEMBL4093813)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)
Affinity DataIC50: 3.30nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239505(CHEMBL4061801 | US10329302, Example 248 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@H](C)[C@H]3C)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H21N3O4/c1-9-10(2)17(23)21-14(9)8-25-18-12-7-15(24-3)13(16(19)22)6-11(12)4-5-20-18/h4-7,9-10,14H,8H2,1-3H3,(H2,19,22)(H,21,23)/t9-,10-,14-/m1/s1
Affinity DataIC50: 3.70nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234913(CHEMBL4096219)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)
Affinity DataIC50: 4.20nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234913(CHEMBL4096219)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(N)=O
Show InChI InChI=1S/C16H15N3O2/c1-2-9-7-11(20)4-6-12(9)10-3-5-13-14(8-10)18-19-15(13)16(17)21/h3-8,20H,2H2,1H3,(H2,17,21)(H,18,19)
Affinity DataIC50: 4.30nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239488(CHEMBL4092338 | US10329302, Example 26 | US1079357...)
Show SMILES CC(C)Oc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O
Show InChI InChI=1S/C18H21N3O4/c1-10(2)25-15-8-13-11(7-14(15)17(19)23)5-6-20-18(13)24-9-12-3-4-16(22)21-12/h5-8,10,12H,3-4,9H2,1-2H3,(H2,19,23)(H,21,22)/t12-/m0/s1
Affinity DataIC50: 4.60nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234904(CHEMBL4086057)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1ncc[nH]1
Show InChI InChI=1S/C18H16N4O/c1-2-11-9-13(23)4-6-14(11)12-3-5-15-16(10-12)21-22-17(15)18-19-7-8-20-18/h3-10,23H,2H2,1H3,(H,19,20)(H,21,22)
Affinity DataIC50: 4.60nMAssay Description:Inhibition of Tyk2 (unknown origin) using peptide substrate preincubated for 60 mins followed by substrate addition and measured after 60 mins by mic...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239496(CHEMBL4075552 | US10329302, Example 264 | US107935...)
Show SMILES COc1cc2c(OC[C@H]3NC(=O)[C@@H]4C[C@H]34)nccc2cc1C(N)=O
Show InChI InChI=1S/C17H17N3O4/c1-23-14-6-9-8(4-12(14)15(18)21)2-3-19-17(9)24-7-13-10-5-11(10)16(22)20-13/h2-4,6,10-11,13H,5,7H2,1H3,(H2,18,21)(H,20,22)/t10-,11+,13+/m0/s1
Affinity DataIC50: 4.80nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234902(CHEMBL3914503)
Show SMILES COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(26)7-9-14(19)12-6-8-15-18(10-12)24-25-20(15)21-22-16-4-2-3-5-17(16)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
Affinity DataIC50: 5.40nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234909(CHEMBL4069951)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)S(C)(=O)=O
Show InChI InChI=1S/C22H23N5O3S/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(31(2,29)30)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 5.60nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239504(CHEMBL4061890 | US10329302, Example 262 | US107935...)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)ccnc2cc1C(N)=O
Show InChI InChI=1S/C16H17N3O4/c1-22-14-7-10-12(6-11(14)16(17)21)18-5-4-13(10)23-8-9-2-3-15(20)19-9/h4-7,9H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t9-/m0/s1
Affinity DataIC50: 5.90nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetMisshapen-like kinase 1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50361467(CHEMBL1938400)
Show SMILES CC(C)(C)c1cc(NC(=O)NCc2ccccc2Sc2ccc3nnc(-c4ccccc4SCCO)n3c2)n(n1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C35H34ClN7O3S2/c1-35(2,3)30-19-32(43(41-30)23-12-14-27(45)26(36)18-23)38-34(46)37-20-22-8-4-6-10-28(22)48-24-13-15-31-39-40-33(42(31)21-24)25-9-5-7-11-29(25)47-17-16-44/h4-15,18-19,21,44-45H,16-17,20H2,1-3H3,(H2,37,38,46)
Affinity DataIC50: 6nMAssay Description:Inhibition of MINKMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234902(CHEMBL3914503)
Show SMILES COc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C21H16N4O2/c1-27-19-11-13(26)7-9-14(19)12-6-8-15-18(10-12)24-25-20(15)21-22-16-4-2-3-5-17(16)23-21/h2-11,26H,1H3,(H,22,23)(H,24,25)
Affinity DataIC50: 6.10nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234912(CHEMBL4066236)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(C)Cc2[nH]1
Show InChI InChI=1S/C22H23N5O/c1-3-13-10-15(28)5-7-16(13)14-4-6-17-19(11-14)25-26-21(17)22-23-18-8-9-27(2)12-20(18)24-22/h4-7,10-11,28H,3,8-9,12H2,1-2H3,(H,23,24)(H,25,26)
Affinity DataIC50: 6.40nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239500(CHEMBL4066705 | US10329302, Example 337 | US107935...)
Show SMILES CC[C@H]1[C@@H](COc2nccc3cc(C(N)=O)c(OC)cc23)NC(=O)[C@@H]1F
Show InChI InChI=1S/C18H20FN3O4/c1-3-10-13(22-17(24)15(10)19)8-26-18-11-7-14(25-2)12(16(20)23)6-9(11)4-5-21-18/h4-7,10,13,15H,3,8H2,1-2H3,(H2,20,23)(H,22,24)/t10-,13+,15+/m0/s1
Affinity DataIC50: 6.5nMAssay Description:Inhibition of IRAK4 in human PBMC assessed as reduction in R848-stimulated TNF alpha production after 3 hrsMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234908(CHEMBL4093813)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2CCN(Cc2[nH]1)C(C)=O
Show InChI InChI=1S/C23H23N5O2/c1-3-14-10-16(30)5-7-17(14)15-4-6-18-20(11-15)26-27-22(18)23-24-19-8-9-28(13(2)29)12-21(19)25-23/h4-7,10-11,30H,3,8-9,12H2,1-2H3,(H,24,25)(H,26,27)
Affinity DataIC50: 7.10nMAssay Description:Inhibition of GST tagged human recombinant JAK3 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234905(CHEMBL4078165)
Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)C(=O)NC
Show InChI InChI=1S/C17H17N3O2/c1-3-10-8-12(21)5-7-13(10)11-4-6-14-15(9-11)19-20-16(14)17(22)18-2/h4-9,21H,3H2,1-2H3,(H,18,22)(H,19,20)
Affinity DataIC50: 7.5nMAssay Description:Inhibition of GST tagged human recombinant JAK1 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
TargetInterleukin-1 receptor-associated kinase 4(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50239489(CHEMBL4100091 | US10329302, Example 121 | US107935...)
Show SMILES COc1cc2c(OC[C@@H]3CCC(=O)N3)nccc2cc1C(N)=O
Show InChI InChI=1S/C16H17N3O4/c1-22-13-7-11-9(6-12(13)15(17)21)4-5-18-16(11)23-8-10-2-3-14(20)19-10/h4-7,10H,2-3,8H2,1H3,(H2,17,21)(H,19,20)/t10-/m0/s1
Affinity DataIC50: 7.60nMAssay Description:Inhibition of N-terminal His6-tagged human full length IRAK4 preincubated for 20 mins followed by biotinylated-AGAGRDKYKTLRQIR substrate addition in ...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc

Curated by ChEMBL
LigandPNGBDBM50234903(CHEMBL4103980)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C22H17FN4O/c1-2-12-10-20(28)16(23)11-15(12)13-7-8-14-19(9-13)26-27-21(14)22-24-17-5-3-4-6-18(17)25-22/h3-11,28H,2H2,1H3,(H,24,25)(H,26,27)
Affinity DataIC50: 7.90nMAssay Description:Inhibition of GST tagged human recombinant JAK2 catalytic domain expressed in baculovirus using peptide substrate preincubated for 60 mins followed b...More data for this Ligand-Target Pair
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