Compile Data Set for Download or QSAR
Found 240 Enz. Inhib. hit(s) with all data for entry = 50009527
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 13nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 13nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 14nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 14nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 15nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 16nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 16nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 17nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 19nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 19nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529610(CHEMBL4519857)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3C[C@H]2CN3C(=O)CC#N)cc1
Show InChI InChI=1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529610(CHEMBL4519857)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3C[C@H]2CN3C(=O)CC#N)cc1
Show InChI InChI=1S/C21H23N7O2/c1-2-23-20(30)14-3-5-15(6-4-14)25-21-24-10-8-18(26-21)27-12-17-11-16(27)13-28(17)19(29)7-9-22/h3-6,8,10,16-17H,2,7,11-13H2,1H3,(H,23,30)(H,24,25,26)/t16-,17-/m0/s1
Affinity DataIC50: 23nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using ATP at its Km level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 28nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 28nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 30nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529619(CHEMBL4587406)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H28N6O2/c1-2-24-21(30)15-5-7-17(8-6-15)26-23-25-12-11-20(27-23)28-13-18-9-10-19(14-28)29(18)22(31)16-3-4-16/h5-8,11-12,16,18-19H,2-4,9-10,13-14H2,1H3,(H,24,30)(H,25,26,27)/t18-,19+
Affinity DataIC50: 32nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529619(CHEMBL4587406)
Show SMILES CCNC(=O)c1ccc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H28N6O2/c1-2-24-21(30)15-5-7-17(8-6-15)26-23-25-12-11-20(27-23)28-13-18-9-10-19(14-28)29(18)22(31)16-3-4-16/h5-8,11-12,16,18-19H,2-4,9-10,13-14H2,1H3,(H,24,30)(H,25,26,27)/t18-,19+
Affinity DataIC50: 32nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 38nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 38nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529615(CHEMBL4445892)
Show SMILES CCNC(=O)c1ncc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C
Show InChI InChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17+
Affinity DataIC50: 48nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529615(CHEMBL4445892)
Show SMILES CCNC(=O)c1ncc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1C
Show InChI InChI=1S/C23H28FN7O2/c1-3-25-21(32)19-13(2)8-15(9-26-19)28-23-27-10-18(24)20(29-23)30-11-16-6-7-17(12-30)31(16)22(33)14-4-5-14/h8-10,14,16-17H,3-7,11-12H2,1-2H3,(H,25,32)(H,27,28,29)/t16-,17+
Affinity DataIC50: 48nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1/JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubat...More data for this Ligand-Target Pair
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-21 induced STAT3 phosphorylation preincubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-27 induced STAT3 phosphorylation preincubat...More data for this Ligand-Target Pair
LigandPNGBDBM50529618(CHEMBL4526032)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC(F)(F)F)cn1
Show InChI InChI=1S/C17H21F3N8O/c1-26-7-11(6-23-26)24-15-21-5-4-14(25-15)27-8-12-2-3-13(9-27)28(12)16(29)22-10-17(18,19)20/h4-7,12-13H,2-3,8-10H2,1H3,(H,22,29)(H,21,24,25)/t12-,13+
Affinity DataIC50: 51nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IFN-alpha induced STAT3 phosphorylation preinc...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 52nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 52nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human CD14 +ve cells of whole blood assessed as reduction in IFN-gamma induced STAT1 phosphorylation pre...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529609(CHEMBL4580985)
Show SMILES Cn1cc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1
Show InChI InChI=1S/C18H22FN7O/c1-24-8-12(6-21-24)22-18-20-7-15(19)16(23-18)25-9-13-4-5-14(10-25)26(13)17(27)11-2-3-11/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,20,22,23)/t13-,14+
Affinity DataIC50: 53nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529609(CHEMBL4580985)
Show SMILES Cn1cc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1
Show InChI InChI=1S/C18H22FN7O/c1-24-8-12(6-21-24)22-18-20-7-15(19)16(23-18)25-9-13-4-5-14(10-25)26(13)17(27)11-2-3-11/h6-8,11,13-14H,2-5,9-10H2,1H3,(H,20,22,23)/t13-,14+
Affinity DataIC50: 53nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 54nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 54nMAssay Description:Inhibition of JAK1/JAK2 signaling pathway in human CD3 +ve cells of whole blood assessed as reduction in IL-6 induced STAT1 phosphorylation preincuba...More data for this Ligand-Target Pair
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529611(CHEMBL4535276)
Show SMILES OCCn1cc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1
Show InChI InChI=1S/C19H24FN7O2/c20-16-8-21-19(23-13-7-22-26(9-13)5-6-28)24-17(16)25-10-14-3-4-15(11-25)27(14)18(29)12-1-2-12/h7-9,12,14-15,28H,1-6,10-11H2,(H,21,23,24)/t14-,15+
Affinity DataIC50: 55nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50529611(CHEMBL4535276)
Show SMILES OCCn1cc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cn1
Show InChI InChI=1S/C19H24FN7O2/c20-16-8-21-19(23-13-7-22-26(9-13)5-6-28)24-17(16)25-10-14-3-4-15(11-25)27(14)18(29)12-1-2-12/h7-9,12,14-15,28H,1-6,10-11H2,(H,21,23,24)/t14-,15+
Affinity DataIC50: 55nMAssay Description:Inhibition of human TYK2 using fluorescence labeled peptide as substrate and using 1 mM ATP level by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 55nMAssay Description:Inhibition of human JAK3 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 55nMAssay Description:Inhibition of human JAK3 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 58nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1/JAK3(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM50193995(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
Affinity DataIC50: 58nMAssay Description:Inhibition of JAK1/JAK3 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-15 induced STAT5 phosphorylation preincubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 63nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM329926(US10463675, Example 9 | US10980815, Ex. No. 9 | US...)
Show SMILES CCNC(=O)c1ccc(Nc2ncc(F)c(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)C2CC2)cc1
Show InChI InChI=1S/C23H27FN6O2/c1-2-25-21(31)14-5-7-16(8-6-14)27-23-26-11-19(24)20(28-23)29-12-17-9-10-18(13-29)30(17)22(32)15-3-4-15/h5-8,11,15,17-18H,2-4,9-10,12-13H2,1H3,(H,25,31)(H,26,27,28)/t17-,18+
Affinity DataIC50: 63nMAssay Description:Inhibition of human JAK1 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 65nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubat...More data for this Ligand-Target Pair
LigandPNGBDBM329924(US10463675, Example 7 | US10980815, Ex. No. 7 | US...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)[C@@H]2CC2(F)F)cn1
Show InChI InChI=1S/C18H21F2N7O/c1-25-8-11(7-22-25)23-17-21-5-4-15(24-17)26-9-12-2-3-13(10-26)27(12)16(28)14-6-18(14,19)20/h4-5,7-8,12-14H,2-3,6,9-10H2,1H3,(H,21,23,24)/t12-,13+,14-/m0/s1
Affinity DataIC50: 65nMAssay Description:Inhibition of JAK1/TYK2 signaling pathway in human lymphocytes of whole blood assessed as reduction in IL-12 induced STAT4 phosphorylation preincubat...More data for this Ligand-Target Pair
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 67nMAssay Description:Inhibition of human JAK2 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2(Homo sapiens (Human))
Pfizer Inc.

Curated by ChEMBL
LigandPNGBDBM330002(US10463675, Example 85 | US10980815, Ex. No. 85 | ...)
Show SMILES Cn1cc(Nc2nccc(n2)N2C[C@@H]3CC[C@H](C2)N3C(=O)NCC#N)cn1
Show InChI InChI=1S/C17H21N9O/c1-24-9-12(8-21-24)22-16-19-6-4-15(23-16)25-10-13-2-3-14(11-25)26(13)17(27)20-7-5-18/h4,6,8-9,13-14H,2-3,7,10-11H2,1H3,(H,20,27)(H,19,22,23)/t13-,14+
Affinity DataIC50: 67nMAssay Description:Inhibition of human JAK2 using fluorescence labeled peptide as substrate and using 1 mM ATP by microfluidic based mobility shift assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
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