Compile Data Set for Download or QSAR
Found 81 with Last Name = 'murphy' and Initial = 'jr'
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
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
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
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 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
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
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
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
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 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
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
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 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
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 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
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
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
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
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
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
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
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
TargetTyrosine-protein kinase JAK3(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: 8.30nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 9.10nMAssay 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
LigandPNGBDBM50234914(CHEMBL4104931)
Show SMILES CCCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H20N4O/c1-2-5-14-12-16(28)9-11-17(14)15-8-10-18-21(13-15)26-27-22(18)23-24-19-6-3-4-7-20(19)25-23/h3-4,6-13,28H,2,5H2,1H3,(H,24,25)(H,26,27)
Affinity DataIC50: 9.70nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 15nMAssay 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 JAK2(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: 16nMAssay 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
LigandPNGBDBM50234914(CHEMBL4104931)
Show SMILES CCCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H20N4O/c1-2-5-14-12-16(28)9-11-17(14)15-8-10-18-21(13-15)26-27-22(18)23-24-19-6-3-4-7-20(19)25-23/h3-4,6-13,28H,2,5H2,1H3,(H,24,25)(H,26,27)
Affinity DataIC50: 17nMAssay 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
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: 17nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 20nMAssay 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 JAK2(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: 21nMAssay 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
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: 23nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 23nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 25nMAssay 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
LigandPNGBDBM50234901(CHEMBL4087076)
Show SMILES CC(C)c1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C23H20N4O/c1-13(2)18-12-15(28)8-10-16(18)14-7-9-17-21(11-14)26-27-22(17)23-24-19-5-3-4-6-20(19)25-23/h3-13,28H,1-2H3,(H,24,25)(H,26,27)
Affinity DataIC50: 27nMAssay 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
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: 30nMAssay 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 JAK3(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: 31nMAssay 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 JAK3(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: 34nMAssay 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
LigandPNGBDBM50234898(CHEMBL4068357 | D3RKN_91)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C18H26N6O/c1-13-6-10-24(18(25)23-8-3-4-9-23)11-15(13)22(2)17-14-5-7-19-16(14)20-12-21-17/h5,7,12-13,15H,3-4,6,8-11H2,1-2H3,(H,19,20,21)/t13-,15+/m1/s1
Affinity DataIC50: 38nMAssay 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
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: 41nMAssay 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
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: 44nMAssay 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
TargetNon-receptor tyrosine-protein kinase TYK2(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: 55nMAssay 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
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