Found 123 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| 0.0200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to His-tagged human TYK2 pseudokinase domain (575-869 residues) by Morrison titration based HTRF assa... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Allosteric inhibition of fluorescein labeled probe binding to His-tagged recombinant human TYK2 pseudokinase JH2 domain (575-869 residues) incubated ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) in presence of Km ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant JAK1 JH2 incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human PBMC assessed as decrease in IFNalpha-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by sti... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 (unknown origin) in presence of Km ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519518
(CHEMBL4557190)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-28-12-32(3)31-22/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH1 domain (unknown origin) in presence of Km ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50463838
(CHEMBL4238926)Show SMILES NC(=O)c1cnc2[nH]ccc2c1NC1C2CC3CC1CC(O)(C3)C2 |TLB:13:14:22:17.18.19,12:13:22.16.17:19,THB:15:16:19:23.14.13,15:14:22.16.17:19,13:18:22:23.15.14,(62.43,-6.04,;61.1,-6.81,;61.1,-8.35,;59.76,-6.04,;59.75,-4.49,;58.42,-3.73,;57.08,-4.5,;55.61,-4.03,;54.71,-5.28,;55.62,-6.53,;57.09,-6.04,;58.42,-6.82,;58.42,-8.36,;57.14,-9.21,;57.12,-10.75,;56.11,-12.03,;54.69,-11.48,;54.69,-9.88,;55.72,-8.64,;54.38,-9.11,;54.39,-10.61,;53.04,-9.84,;53.19,-11.89,;55.71,-11.09,)| Show InChI InChI=1S/C18H22N4O2/c19-16(23)13-8-21-17-12(1-2-20-17)15(13)22-14-10-3-9-4-11(14)7-18(24,5-9)6-10/h1-2,8-11,14,24H,3-7H2,(H2,19,23)(H2,20,21,22) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) in presence of Km ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519537
(CHEMBL4469750)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21N9O2/c1-25-23(33)16-12-27-20(30-19-8-7-14(10-24)11-26-19)9-18(16)29-17-6-4-5-15(21(17)34-3)22-28-13-32(2)31-22/h4-9,11-13H,1-3H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519543
(CHEMBL4457060)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519520
(CHEMBL4571117)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519542
(CHEMBL4572855)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nc[nH]n2)c1OC Show InChI InChI=1S/C22H21FN8O2/c1-12-7-18(26-10-15(12)23)30-19-8-17(14(9-25-19)22(32)24-2)29-16-6-4-5-13(20(16)33-3)21-27-11-28-31-21/h4-11H,1-3H3,(H,24,32)(H,27,28,31)(H2,25,26,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519519
(CHEMBL4566158)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccn(C)n2)c1OC Show InChI InChI=1S/C24H24FN7O2/c1-14-10-21(28-13-17(14)25)30-22-11-20(16(12-27-22)24(33)26-2)29-19-7-5-6-15(23(19)34-4)18-8-9-32(3)31-18/h5-13H,1-4H3,(H,26,33)(H2,27,28,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human PBMC assessed as decrease in IL23-induced STAT3 phosphorylation in CD161+/CD3+ T cells preincubated for 1 hr followed by ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519538
(CHEMBL4580625)Show SMILES CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519518
(CHEMBL4557190)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-28-12-32(3)31-22/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519532
(CHEMBL4443834)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC Show InChI InChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519536
(CHEMBL4559585)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519520
(CHEMBL4571117)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519539
(CHEMBL4476261)Show SMILES CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519535
(CHEMBL4565054)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519537
(CHEMBL4469750)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21N9O2/c1-25-23(33)16-12-27-20(30-19-8-7-14(10-24)11-26-19)9-18(16)29-17-6-4-5-15(21(17)34-3)22-28-13-32(2)31-22/h4-9,11-13H,1-3H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519548
(CHEMBL4543984)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnco2)c1OC Show InChI InChI=1S/C22H20FN7O3/c1-12-7-18(26-10-15(12)23)29-19-8-17(14(9-25-19)21(31)24-2)28-16-6-4-5-13(20(16)32-3)22-30-27-11-33-22/h4-11H,1-3H3,(H,24,31)(H2,25,26,28,29) | PDB
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| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519534
(CHEMBL4435079)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nncn2C)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-31-28-12-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519539
(CHEMBL4476261)Show SMILES CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM305821
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | PDB
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human TYK2 JH1 kinase domain using 5FAM-KKSRGDYMTMQID as substrate incubated for 135 mins by caliper method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519538
(CHEMBL4580625)Show SMILES CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30) | PDB
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| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519531
(CHEMBL4474729)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCc2ccccn2)c1OC Show InChI InChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35) | PDB
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519542
(CHEMBL4572855)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nc[nH]n2)c1OC Show InChI InChI=1S/C22H21FN8O2/c1-12-7-18(26-10-15(12)23)30-19-8-17(14(9-25-19)22(32)24-2)29-16-6-4-5-13(20(16)33-3)21-27-11-28-31-21/h4-11H,1-3H3,(H,24,32)(H,27,28,31)(H2,25,26,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519529
(CHEMBL4441840)Show SMILES CCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC Show InChI InChI=1S/C23H25FN6O3/c1-5-26-23(32)14-7-6-8-17(21(14)33-4)29-18-10-20(27-11-15(18)22(31)25-3)30-19-9-13(2)16(24)12-28-19/h6-12H,5H2,1-4H3,(H,25,31)(H,26,32)(H2,27,28,29,30) | PDB
UniProtKB/SwissProt
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UniChem
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| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519528
(CHEMBL4537259)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(N)=O)c1OC Show InChI InChI=1S/C21H21FN6O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)21(30)24-2)27-15-6-4-5-12(20(23)29)19(15)31-3/h4-10H,1-3H3,(H2,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK3 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519524
(CHEMBL4587924)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC Show InChI InChI=1S/C20H17FN6O2/c1-23-20(28)14-11-25-18(27-17-7-6-13(21)10-24-17)8-16(14)26-15-5-3-4-12(9-22)19(15)29-2/h3-8,10-11H,1-2H3,(H,23,28)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519543
(CHEMBL4457060)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50503287
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused recombinant human JAK1 catalytic domain (845-1142 residues) expressed in Sf9 cells in presence of 0.1 mM ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519540
(CHEMBL4468025)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC Show InChI InChI=1S/C22H23FN6O3/c1-12-8-18(27-11-15(12)23)29-19-9-17(14(10-26-19)22(31)25-3)28-16-7-5-6-13(20(16)32-4)21(30)24-2/h5-11H,1-4H3,(H,24,30)(H,25,31)(H2,26,27,28,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519522
(CHEMBL4578980)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC Show InChI InChI=1S/C27H32FN7O4/c1-17-13-23(32-16-20(17)28)34-24-14-22(19(15-31-24)26(36)29-2)33-21-6-4-5-18(25(21)38-3)27(37)30-7-8-35-9-11-39-12-10-35/h4-6,13-16H,7-12H2,1-3H3,(H,29,36)(H,30,37)(H2,31,32,33,34) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519528
(CHEMBL4537259)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(N)=O)c1OC Show InChI InChI=1S/C21H21FN6O3/c1-11-7-17(26-10-14(11)22)28-18-8-16(13(9-25-18)21(30)24-2)27-15-6-4-5-12(20(23)29)19(15)31-3/h4-10H,1-3H3,(H2,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519521
(CHEMBL4582205)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-17(27-16-7-6-11(21)9-24-16)8-15(13)26-14-5-3-4-12(19(22)28)18(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519541
(CHEMBL4527672)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC Show InChI InChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(H2,28,29,31,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519536
(CHEMBL4559585)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519533
(CHEMBL4572426)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccnn2C)c1OC Show InChI InChI=1S/C24H24FN7O2/c1-14-10-21(28-13-17(14)25)31-22-11-19(16(12-27-22)24(33)26-2)30-18-7-5-6-15(23(18)34-4)20-8-9-29-32(20)3/h5-13H,1-4H3,(H,26,33)(H2,27,28,30,31) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM305821
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK2 kinase domain using FITC-KGGEEEEYFELVKK as substrate incubated for 60 mins by caliper method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519526
(CHEMBL4524832)Show SMILES CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1OC Show InChI InChI=1S/C21H21FN6O3/c1-23-20(29)13-5-4-6-15(19(13)31-3)27-16-9-18(26-11-14(16)21(30)24-2)28-17-8-7-12(22)10-25-17/h4-11H,1-3H3,(H,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519519
(CHEMBL4566158)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccn(C)n2)c1OC Show InChI InChI=1S/C24H24FN7O2/c1-14-10-21(28-13-17(14)25)30-22-11-20(16(12-27-22)24(33)26-2)29-19-7-5-6-15(23(19)34-4)18-8-9-32(3)31-18/h5-13H,1-4H3,(H,26,33)(H2,27,28,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519535
(CHEMBL4565054)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519532
(CHEMBL4443834)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC Show InChI InChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519520
(CHEMBL4571117)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50503287
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1 | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant C-terminal His6-tagged human JAK2 kinase domain (808 to end residues) expressed in baculovirus-infected Sf21 cells in prese... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519521
(CHEMBL4582205)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(N)=O)c1OC Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-17(27-16-7-6-11(21)9-24-16)8-15(13)26-14-5-3-4-12(19(22)28)18(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519518
(CHEMBL4557190)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-28-12-32(3)31-22/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519530
(CHEMBL4577224)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)N(C)C)c1OC Show InChI InChI=1S/C23H25FN6O3/c1-13-9-19(27-12-16(13)24)29-20-10-18(15(11-26-20)22(31)25-2)28-17-8-6-7-14(21(17)33-5)23(32)30(3)4/h6-12H,1-5H3,(H,25,31)(H2,26,27,28,29) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519540
(CHEMBL4468025)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NC)c1OC Show InChI InChI=1S/C22H23FN6O3/c1-12-8-18(27-11-15(12)23)29-19-9-17(14(10-26-19)22(31)25-3)28-16-7-5-6-13(20(16)32-4)21(30)24-2/h5-11H,1-4H3,(H,24,30)(H,25,31)(H2,26,27,28,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519534
(CHEMBL4435079)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nncn2C)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-31-28-12-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519522
(CHEMBL4578980)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCN2CCOCC2)c1OC Show InChI InChI=1S/C27H32FN7O4/c1-17-13-23(32-16-20(17)28)34-24-14-22(19(15-31-24)26(36)29-2)33-21-6-4-5-18(25(21)38-3)27(37)30-7-8-35-9-11-39-12-10-35/h4-6,13-16H,7-12H2,1-3H3,(H,29,36)(H,30,37)(H2,31,32,33,34) | PDB
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519548
(CHEMBL4543984)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnco2)c1OC Show InChI InChI=1S/C22H20FN7O3/c1-12-7-18(26-10-15(12)23)29-19-8-17(14(9-25-19)21(31)24-2)28-16-6-4-5-13(20(16)32-3)22-30-27-11-33-22/h4-11H,1-3H3,(H,24,31)(H2,25,26,28,29) | PDB
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| n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519531
(CHEMBL4474729)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCc2ccccn2)c1OC Show InChI InChI=1S/C27H26FN7O3/c1-16-11-23(32-15-20(16)28)35-24-12-22(19(14-31-24)26(36)29-2)34-21-9-6-8-18(25(21)38-3)27(37)33-13-17-7-4-5-10-30-17/h4-12,14-15H,13H2,1-3H3,(H,29,36)(H,33,37)(H2,31,32,34,35) | PDB
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| PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Bone morphogenetic protein receptor type-2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 193 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of BMPR2 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519545
(CHEMBL4439617)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC Show InChI InChI=1S/C23H25FN6O4/c1-13-9-19(28-12-16(13)24)30-20-10-18(15(11-27-20)22(32)25-2)29-17-6-4-5-14(21(17)34-3)23(33)26-7-8-31/h4-6,9-12,31H,7-8H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30) | PDB
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PC sid
UniChem
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PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519526
(CHEMBL4524832)Show SMILES CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1OC Show InChI InChI=1S/C21H21FN6O3/c1-23-20(29)13-5-4-6-15(19(13)31-3)27-16-9-18(26-11-14(16)21(30)24-2)28-17-8-7-12(22)10-25-17/h4-11H,1-3H3,(H,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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UniChem
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PubMed
| n/a | n/a | 230 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519537
(CHEMBL4469750)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21N9O2/c1-25-23(33)16-12-27-20(30-19-8-7-14(10-24)11-26-19)9-18(16)29-17-6-4-5-15(21(17)34-3)22-28-13-32(2)31-22/h4-9,11-13H,1-3H3,(H,25,33)(H2,26,27,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 260 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519545
(CHEMBL4439617)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCCO)c1OC Show InChI InChI=1S/C23H25FN6O4/c1-13-9-19(28-12-16(13)24)30-20-10-18(15(11-27-20)22(32)25-2)29-17-6-4-5-14(21(17)34-3)23(33)26-7-8-31/h4-6,9-12,31H,7-8H2,1-3H3,(H,25,32)(H,26,33)(H2,27,28,29,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 270 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519529
(CHEMBL4441840)Show SMILES CCNC(=O)c1cccc(Nc2cc(Nc3cc(C)c(F)cn3)ncc2C(=O)NC)c1OC Show InChI InChI=1S/C23H25FN6O3/c1-5-26-23(32)14-7-6-8-17(21(14)33-4)29-18-10-20(27-11-15(18)22(31)25-3)30-19-9-13(2)16(24)12-28-19/h6-12H,5H2,1-4H3,(H,25,31)(H,26,32)(H2,27,28,29,30) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519533
(CHEMBL4572426)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccnn2C)c1OC Show InChI InChI=1S/C24H24FN7O2/c1-14-10-21(28-13-17(14)25)31-22-11-19(16(12-27-22)24(33)26-2)30-18-7-5-6-15(23(18)34-4)20-8-9-29-32(20)3/h5-13H,1-4H3,(H,26,33)(H2,27,28,30,31) | PDB
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PC sid
UniChem
| Article
PubMed
| n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519542
(CHEMBL4572855)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nc[nH]n2)c1OC Show InChI InChI=1S/C22H21FN8O2/c1-12-7-18(26-10-15(12)23)30-19-8-17(14(9-25-19)22(32)24-2)29-16-6-4-5-13(20(16)33-3)21-27-11-28-31-21/h4-11H,1-3H3,(H,24,32)(H,27,28,31)(H2,25,26,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519543
(CHEMBL4457060)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2n[nH]c(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-12-8-19(27-11-16(12)24)30-20-9-18(15(10-26-20)23(33)25-3)29-17-7-5-6-14(21(17)34-4)22-28-13(2)31-32-22/h5-11H,1-4H3,(H,25,33)(H,28,31,32)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519539
(CHEMBL4476261)Show SMILES CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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PubMed
| n/a | n/a | 330 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519535
(CHEMBL4565054)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncnn2C)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)31-20-9-18(15(10-26-20)23(33)25-2)30-17-7-5-6-14(21(17)34-4)22-28-12-29-32(22)3/h5-12H,1-4H3,(H,25,33)(H2,26,27,30,31) | PDB
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| n/a | n/a | 380 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM305821
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK1 kinase domain using 5FAM-KKSRGDYMTMQID as substrate incubated for 3 hrs by caliper method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519547
(CHEMBL4581296)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519519
(CHEMBL4566158)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ccn(C)n2)c1OC Show InChI InChI=1S/C24H24FN7O2/c1-14-10-21(28-13-17(14)25)30-22-11-20(16(12-27-22)24(33)26-2)29-19-7-5-6-15(23(19)34-4)18-8-9-32(3)31-18/h5-13H,1-4H3,(H,26,33)(H2,27,28,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519527
(CHEMBL4534832)Show SMILES CNC(=O)c1ccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c(OC)c1 Show InChI InChI=1S/C21H21FN6O3/c1-23-20(29)12-4-6-15(17(8-12)31-3)27-16-9-19(26-11-14(16)21(30)24-2)28-18-7-5-13(22)10-25-18/h4-11H,1-3H3,(H,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519527
(CHEMBL4534832)Show SMILES CNC(=O)c1ccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c(OC)c1 Show InChI InChI=1S/C21H21FN6O3/c1-23-20(29)12-4-6-15(17(8-12)31-3)27-16-9-19(26-11-14(16)21(30)24-2)28-18-7-5-13(22)10-25-18/h4-11H,1-3H3,(H,23,29)(H,24,30)(H2,25,26,27,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519548
(CHEMBL4543984)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnco2)c1OC Show InChI InChI=1S/C22H20FN7O3/c1-12-7-18(26-10-15(12)23)29-19-8-17(14(9-25-19)21(31)24-2)28-16-6-4-5-13(20(16)32-3)22-30-27-11-33-22/h4-11H,1-3H3,(H,24,31)(H2,25,26,28,29) | PDB
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| n/a | n/a | 522 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519524
(CHEMBL4587924)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C#N)c1OC Show InChI InChI=1S/C20H17FN6O2/c1-23-20(28)14-11-25-18(27-17-7-6-13(21)10-24-17)8-16(14)26-15-5-3-4-12(9-22)19(15)29-2/h3-8,10-11H,1-2H3,(H,23,28)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519532
(CHEMBL4443834)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2nnc(C)o2)c1OC Show InChI InChI=1S/C23H22FN7O3/c1-12-8-19(27-11-16(12)24)29-20-9-18(15(10-26-20)22(32)25-3)28-17-7-5-6-14(21(17)33-4)23-31-30-13(2)34-23/h5-11H,1-4H3,(H,25,32)(H2,26,27,28,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
JAK3/JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 592 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK3 in human PBMC assessed as decrease in IL2-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by sti... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1/JAK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 609 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK2 in in human whole blood assessed as decrease in IL6-induced STAT3 phosphorylation in CD3+ T cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 615 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 in human PBMC assessed as decrease in IL6-induced STAT5 phosphorylation in CD3+ T cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519536
(CHEMBL4559585)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32) | PDB
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UniChem
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| n/a | n/a | 700 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2 [5-1181]
(Mus musculus) | BDBM50519538
(CHEMBL4580625)Show SMILES CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30) | PDB
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UniChem
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PubMed
| n/a | n/a | 730 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in mouse whole blood assessed as decrease in IFNalpha-induced STAT1 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519530
(CHEMBL4577224)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)N(C)C)c1OC Show InChI InChI=1S/C23H25FN6O3/c1-13-9-19(27-12-16(13)24)29-20-10-18(15(11-26-20)22(31)25-2)28-17-8-6-7-14(21(17)33-5)23(32)30(3)4/h6-12H,1-5H3,(H,25,31)(H2,26,27,28,29) | PDB
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| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519541
(CHEMBL4527672)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(C(=O)NCC2CC2)c1OC Show InChI InChI=1S/C25H27FN6O3/c1-14-9-21(29-13-18(14)26)32-22-10-20(17(12-28-22)24(33)27-2)31-19-6-4-5-16(23(19)35-3)25(34)30-11-15-7-8-15/h4-6,9-10,12-13,15H,7-8,11H2,1-3H3,(H,27,33)(H,30,34)(H2,28,29,31,32) | PDB
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| n/a | n/a | 870 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519547
(CHEMBL4581296)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1ccc(cc1OC)C(N)=O Show InChI InChI=1S/C20H19FN6O3/c1-23-20(29)13-10-25-18(27-17-6-4-12(21)9-24-17)8-15(13)26-14-5-3-11(19(22)28)7-16(14)30-2/h3-10H,1-2H3,(H2,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
JAK3/JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK3 in in human whole blood assessed as decrease in IL2-induced STAT5 phosphorylation in CD3+ T cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | 2.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 in human PBMC assessed as decrease in IL13-induced STAT6 phosphorylation in mononuclear cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50503287
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1 | PDB
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| n/a | n/a | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of GST-fused recombinant human JAK3 catalytic domain (811-1103 residues) expressed in Sf9 cells in presence of 0.1 mM ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50519523
(CHEMBL4440718)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) | PDB
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| n/a | n/a | 2.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in GM-CSF-stimulated human TF-1 cells |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50503287
(ABT-494 | Rinvoq | US10961228, Example ABT-494 | U...)Show SMILES CC[C@@H]1CN(C[C@@H]1c1cnc2cnc3[nH]ccc3n12)C(=O)NCC(F)(F)F |r| Show InChI InChI=1S/C17H19F3N6O/c1-2-10-7-25(16(27)24-9-17(18,19)20)8-11(10)13-5-22-14-6-23-15-12(26(13)14)3-4-21-15/h3-6,10-11,21H,2,7-9H2,1H3,(H,24,27)/t10-,11+/m1/s1 | PDB
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| n/a | n/a | 4.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of N-terminal His-tagged and C-terminal FLAG-tagged human TYK2 JH1 domain (880 to 1185 residues) in presence of 0.1 mM ATP |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
JAK3/JAK1
(Homo sapiens (Human)) | BDBM50519523
(CHEMBL4440718)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/JAK3 in human PBMC assessed as decrease in IL2-induced STAT5 phosphorylation in CD3+ T cells preincubated for 1 hr followed by sti... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519537
(CHEMBL4469750)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C#N)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21N9O2/c1-25-23(33)16-12-27-20(30-19-8-7-14(10-24)11-26-19)9-18(16)29-17-6-4-5-15(21(17)34-3)22-28-13-32(2)31-22/h4-9,11-13H,1-3H3,(H,25,33)(H2,26,27,29,30) | PDB
MMDB
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| n/a | n/a | 6.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519544
(CHEMBL4543090)Show SMILES CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1 Show InChI InChI=1S/C20H19FN6O2/c1-22-19(28)12-4-3-5-14(8-12)26-16-9-18(25-11-15(16)20(29)23-2)27-17-7-6-13(21)10-24-17/h3-11H,1-2H3,(H,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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| n/a | n/a | 7.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50519523
(CHEMBL4440718)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O Show InChI InChI=1S/C18H18N6O3S/c1-19-18(25)17-13(21-12-7-3-4-8-14(12)28(2,26)27)11-16(23-24-17)22-15-9-5-6-10-20-15/h3-11H,1-2H3,(H,19,25)(H2,20,21,22,23) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant JAK3 JH1 domain incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant JAK3 JH1 domain incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519546
(CHEMBL4471908)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(c1)-c1ncn(C)n1 Show InChI InChI=1S/C19H20N8O2/c1-20-19(29)16-14(9-15(24-25-16)23-18(28)11-6-7-11)22-13-5-3-4-12(8-13)17-21-10-27(2)26-17/h3-5,8-11H,6-7H2,1-2H3,(H,20,29)(H2,22,23,24,28) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in human whole blood assessed as decrease in TPO-induced STAT5 phosphorylation in platelets |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant TYK2 JH1 domain incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant JAK1 JH1 domain incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519544
(CHEMBL4543090)Show SMILES CNC(=O)c1cccc(Nc2cc(Nc3ccc(F)cn3)ncc2C(=O)NC)c1 Show InChI InChI=1S/C20H19FN6O2/c1-22-19(28)12-4-3-5-14(8-12)26-16-9-18(25-11-15(16)20(29)23-2)27-17-7-6-13(21)10-24-17/h3-11H,1-2H3,(H,22,28)(H,23,29)(H2,24,25,26,27) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK3
(Homo sapiens (Human)) | BDBM305821
((1r,3r)-3-(Cyanomethyl)-3-(4-(6-(1-methyl-1H-pyraz...)Show SMILES Cn1cc(cn1)-c1cn2nccc2c(n1)-c1cnn(c1)[C@@]1(CC#N)C[C@@H](C1)C#N |r,wU:20.23,wD:25.31,(5.9,-6.34,;4.36,-6.34,;3.46,-5.09,;2,-5.57,;2,-7.11,;3.46,-7.59,;.66,-4.8,;-.67,-5.57,;-2.01,-4.8,;-3.47,-5.28,;-4.38,-4.03,;-3.47,-2.78,;-2.01,-3.26,;-.67,-2.49,;.66,-3.26,;-.67,-.95,;.57,-.05,;.1,1.42,;-1.44,1.42,;-1.92,-.05,;-2.53,2.51,;-2.93,1.02,;-4.42,.62,;-5.9,.22,;-3.86,3.28,;-3.09,4.61,;-1.76,3.84,;-3.49,6.1,;-3.89,7.59,)| Show InChI InChI=1S/C20H17N9/c1-27-11-15(9-24-27)17-13-28-18(2-5-23-28)19(26-17)16-10-25-29(12-16)20(3-4-21)6-14(7-20)8-22/h2,5,9-14H,3,6-7H2,1H3/t14-,20- | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of recombinant human JAK3 kinase domain using FITC-KGGEEEEYFELVKK as substrate incubated for 75 mins by caliper method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of fluorescein labeled probe binding to human recombinant JAK2 JH1 domain incubated for 1 hr by HTRF assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1
(Homo sapiens (Human)) | BDBM50519525
(CHEMBL4530035)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(O)=O)c1OC Show InChI InChI=1S/C20H18FN5O4/c1-22-19(27)13-10-24-17(26-16-7-6-11(21)9-23-16)8-15(13)25-14-5-3-4-12(20(28)29)18(14)30-2/h3-10H,1-2H3,(H,22,27)(H,28,29)(H2,23,24,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK1/TYK2 in human Kit225 T cells assessed as inhibition of STAT phosphorylation by luciferase reporter assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM209866
(PF-06651600 | US11111242, Example 5 | US2023034848...)Show SMILES C[C@H]1CC[C@H](CN1C(=O)C=C)Nc1ncnc2[nH]ccc12 |r| | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 JH1 domain (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Tyrosine-protein kinase JAK2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of JAK2 in human TF1 cells assessed as decrease in EPO-induced STAT5A phosphorylation incubated for 10 mins by ELISA |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Non-receptor tyrosine-protein kinase TYK2
(Homo sapiens (Human)) | BDBM50519525
(CHEMBL4530035)Show SMILES CNC(=O)c1cnc(Nc2ccc(F)cn2)cc1Nc1cccc(C(O)=O)c1OC Show InChI InChI=1S/C20H18FN5O4/c1-22-19(27)13-10-24-17(26-16-7-6-11(21)9-23-16)8-15(13)25-14-5-3-4-12(20(28)29)18(14)30-2/h3-10H,1-2H3,(H,22,27)(H,28,29)(H2,23,24,25,26) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of TYK2 in human whole blood assessed as decrease in IFNalpha-induced STAT5 phosphorylation preincubated for 1 hr followed by stimulation ... |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519536
(CHEMBL4559585)Show SMILES CNC(=O)c1cnc(Nc2ccc(cn2)C(F)(F)F)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H21F3N8O2/c1-27-22(35)15-11-29-19(32-18-8-7-13(10-28-18)23(24,25)26)9-17(15)31-16-6-4-5-14(20(16)36-3)21-30-12-34(2)33-21/h4-12H,1-3H3,(H,27,35)(H2,28,29,31,32) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519518
(CHEMBL4557190)Show SMILES CNC(=O)c1cnc(Nc2cc(C)c(F)cn2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H23FN8O2/c1-13-8-19(27-11-16(13)24)30-20-9-18(15(10-26-20)23(33)25-2)29-17-7-5-6-14(21(17)34-4)22-28-12-32(3)31-22/h5-12H,1-4H3,(H,25,33)(H2,26,27,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2D6
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2D6 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C9
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C9 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 2C19
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP2C19 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP3A4 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of CYP1A2 (unknown origin) |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519538
(CHEMBL4580625)Show SMILES CNC(=O)c1cnc(Nc2cc(C)nc(C)n2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C23H25N9O2/c1-13-9-20(28-14(2)27-13)30-19-10-18(16(11-25-19)23(33)24-3)29-17-8-6-7-15(21(17)34-5)22-26-12-32(4)31-22/h6-12H,1-5H3,(H,24,33)(H2,25,27,28,29,30) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519539
(CHEMBL4476261)Show SMILES CNC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50519520
(CHEMBL4571117)Show SMILES [2H]C([2H])([2H])NC(=O)c1cnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C21H23N7O3/c1-22-21(30)14-10-23-17(26-20(29)12-7-8-12)9-16(14)25-15-6-4-5-13(18(15)31-3)19-24-11-28(2)27-19/h4-6,9-12H,7-8H2,1-3H3,(H,22,30)(H2,23,25,26,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Inhibition of human ERG by in vitro patch clamp method |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
More data for this
Ligand-Target Pair | |
Cytochrome P450 3A4
(Homo sapiens (Human)) | BDBM50507816
(Bms-986165 | Deucravacitinib)Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1cccc(-c2ncn(C)n2)c1OC Show InChI InChI=1S/C20H22N8O3/c1-21-20(30)16-14(9-15(25-26-16)24-19(29)11-7-8-11)23-13-6-4-5-12(17(13)31-3)18-22-10-28(2)27-18/h4-6,9-11H,7-8H2,1-3H3,(H,21,30)(H2,23,24,25,29) | PDB
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TBA
Curated by ChEMBL
| Assay Description
Induction of CYP3A4 (unknown origin) by PXR-transactivation assay |
J Med Chem 62: 8973-8995 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00444
BindingDB Entry DOI: 10.7270/Q2930XJS |
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Ligand-Target Pair | |
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