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Compile Data Set for Download or QSAR

Found 315 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519523
PNG
(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)
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n/an/a 0.530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519523
PNG
(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)
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n/an/a 0.530n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50530395
PNG
(CHEMBL4444178)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)
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n/an/a 1.30n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50530395
PNG
(CHEMBL4444178)
Show SMILES [2H]C([2H])([2H])NC(=O)c1nnc(NC(=O)C2CC2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C17H19N5O4S/c1-18-17(24)15-12(9-14(21-22-15)20-16(23)10-7-8-10)19-11-5-3-4-6-13(11)27(2,25)26/h3-6,9-10H,7-8H2,1-2H3,(H,18,24)(H2,19,20,21,23)
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TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545980
PNG
(CHEMBL4764019)
Show SMILES FC(F)Oc1ccc(I)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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n/an/a 2.80n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545979
PNG
(CHEMBL4742159)
Show SMILES FC(F)Oc1ccc(Br)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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n/an/a 3.30n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519518
PNG
(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)
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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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545960
PNG
(CHEMBL4740778 | US11649241, Example 9)
Show SMILES Nc1nn2cccnc2c1C(=O)Nc1c[nH]nc1-c1cc(Cl)ccc1OC(F)F
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545945
PNG
(CHEMBL4777342)
Show SMILES Cn1cc(NC(=O)c2cnn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
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n/an/a 4.70n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545961
PNG
(CHEMBL4793262)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2cccnn12
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n/an/a 5n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50369720
PNG
(CHEMBL3979355)
Show SMILES [H][C@@]1(CCCN(C1)C(=O)C(=C\C(C)(C)N1CCN(CC1)C1COC1)\C#N)n1nc(-c2ccc(Oc3ccccc3)cc2F)c2c(N)ncnc12 |r|
Show InChI InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m0/s1
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Shaanxi University of Science & Technology

Curated by ChEMBL


Assay Description
Inhibition of JAK (unknown origin)


Eur J Med Chem 151: 315-326 (2018)


Article DOI: 10.1016/j.ejmech.2018.03.062
BindingDB Entry DOI: 10.7270/Q2JS9SZ0
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50595921
PNG
(ASN-002 | ASN002 | Asn-002 | Asn002 | EN-3351 | EN...)
Show SMILES OC1CCN(CC1)c1ccc(Nc2nc(nc3cn[nH]c(=O)c23)N2CCC(CC#N)CC2)cc1
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TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50507816
PNG
(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)
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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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545944
PNG
(CHEMBL4744172)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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n/an/a 5.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50332294
PNG
(CHEMBL1287853 | N-tert-butyl-3-(5-methyl-2-(4-(2-(...)
Show SMILES Cc1cnc(Nc2ccc(OCCN3CCCC3)cc2)nc1Nc1cccc(c1)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H36N6O3S/c1-20-19-28-26(30-21-10-12-23(13-11-21)36-17-16-33-14-5-6-15-33)31-25(20)29-22-8-7-9-24(18-22)37(34,35)32-27(2,3)4/h7-13,18-19,32H,5-6,14-17H2,1-4H3,(H2,28,29,30,31)
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n/an/a 6n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01467
BindingDB Entry DOI: 10.7270/Q24Q801K
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519537
PNG
(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)
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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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM521911
PNG
(N-[3-[3-(difluoromethoxy)-2- naphthyl]-1H-pyrazol-...)
Show SMILES FC(F)Oc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519543
PNG
(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)
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n/an/a 7n/an/an/an/an/an/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/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585514
PNG
(CHEMBL5086526)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@H]2CCCN(C)C2)c2nc(N)ncc2c1 |r|
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n/an/a 7.90n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50593320
PNG
(A-301 | ATI-502 | Ati-502 | IFIDANCITINIB | Ifidan...)
Show SMILES COc1cc(Nc2ncc(C)c(Nc3ccc4oc(=O)[nH]c4c3)n2)cc(C)c1F
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n/an/a 8n/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acsmedchemlett.2c00411
BindingDB Entry DOI: 10.7270/Q2QR523S
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519542
PNG
(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)
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n/an/a 8n/an/an/an/an/an/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))
BDBM50519520
PNG
(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)
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n/an/a 8n/an/an/an/an/an/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))
BDBM50519519
PNG
(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)
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n/an/a 9n/an/an/an/an/an/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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545969
PNG
(CHEMBL4780070 | US11649241, Example 4)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2scnc12
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n/an/a 9.20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545957
PNG
(CHEMBL4750979)
Show SMILES CSc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cnn2cccnc12
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519532
PNG
(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)
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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
PNG
(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)
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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))
BDBM50519538
PNG
(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)
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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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545964
PNG
(CHEMBL4746416)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cnc2ccc(nn12)C#C
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545978
PNG
(CHEMBL4757833)
Show SMILES CCc1ccc(OC(F)F)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585515
PNG
(CHEMBL5076189)
Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(cc3cnc(N)nc13)-c1cc(F)c(O)cc1CC)N2 |r|
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TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519539
PNG
(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)
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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/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM521938
PNG
(N-[3-(3-methoxy-2-naphthyl)- 1H-pyrazol-4-yl]pyraz...)
Show SMILES COc1cc2ccccc2cc1-c1n[nH]cc1NC(=O)c1cnn2cccnc12
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545982
PNG
(CHEMBL4756876)
Show SMILES FC(F)Oc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(22.91,-36.82,;23.68,-35.49,;25.22,-35.48,;22.91,-34.15,;23.67,-32.82,;25.21,-32.82,;25.98,-31.48,;25.19,-30.15,;25.95,-28.81,;23.66,-30.16,;22.88,-28.84,;22.91,-31.49,;21.37,-31.5,;20.87,-32.96,;19.33,-32.95,;18.86,-31.48,;20.12,-30.58,;20.13,-29.04,;18.8,-28.25,;17.45,-29.02,;18.81,-26.71,;17.56,-25.79,;18.05,-24.33,;19.59,-24.34,;20.63,-23.21,;22.12,-23.54,;22.59,-25.01,;21.55,-26.14,;20.05,-25.81,)|
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519535
PNG
(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)
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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))
BDBM50021656
PNG
(BARICITINIB | INCB-028050 | LY-3009104 | US1011290...)
Show SMILES CCS(=O)(=O)N1CC(CC#N)(C1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C16H17N7O2S/c1-2-26(24,25)22-9-16(10-22,4-5-17)23-8-12(7-21-23)14-13-3-6-18-15(13)20-11-19-14/h3,6-8,11H,2,4,9-10H2,1H3,(H,18,19,20)
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in human PBMC assessed as reduction in IFNalpha-induced STAT1 phosphorylation preincubated for 5 mins followed by IFNalpha st...


J Med Chem 59: 733-49 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01857
BindingDB Entry DOI: 10.7270/Q2057HSH
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545981
PNG
(CHEMBL4794915)
Show SMILES COc1ccc(Cl)c(F)c1-c1n[nH]cc1NC(=O)c1cnn2cccnc12 |(10.69,-35.34,;9.92,-34.01,;10.69,-32.68,;12.22,-32.67,;12.99,-31.34,;12.2,-30.01,;12.96,-28.67,;10.67,-30.03,;9.89,-28.7,;9.92,-31.35,;8.38,-31.36,;7.89,-32.82,;6.34,-32.81,;5.88,-31.34,;7.13,-30.44,;7.15,-28.9,;5.81,-28.11,;4.47,-28.88,;5.82,-26.57,;4.58,-25.65,;5.07,-24.19,;6.61,-24.2,;7.64,-23.08,;9.14,-23.4,;9.61,-24.88,;8.56,-26.01,;7.07,-25.67,)|
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TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50519548
PNG
(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)
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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))
BDBM50519534
PNG
(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)
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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/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585511
PNG
(CHEMBL5077126)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC2CCN(C)CC2)c2nc(N)ncc2c1
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TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585510
PNG
(CHEMBL5076068)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCCNC)c2nc(N)ncc2c1
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TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50545650
PNG
(Delgocitinib | JTE-052 | JTE-052A | LEO 124249 | L...)
Show SMILES C[C@H]1CN(C(=O)CC#N)[C@]11CCN(C1)c1ncnc2[nH]ccc12 |r|
Show InChI InChI=1S/C16H18N6O/c1-11-8-22(13(23)2-5-17)16(11)4-7-21(9-16)15-12-3-6-18-14(12)19-10-20-15/h3,6,10-11H,2,4,7-9H2,1H3,(H,18,19,20)/t11-,16-/m0/s1
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Japan Tobacco Inc.

Curated by ChEMBL


Assay Description
Inhibition of JAK1/Tyk2 in human PBMC assessed as reduction in INFalpha-induced Stat1 phosphorylation in CD3+CD4+ cells preincubated for 30 mins foll...


J Med Chem 63: 7163-7185 (2020)


Article DOI: 10.1021/acs.jmedchem.0c00450
BindingDB Entry DOI: 10.7270/Q2FX7F2W
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545946
PNG
(CHEMBL4760562)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1cncc2c[nH]nc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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UniChem
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585509
PNG
(CHEMBL5085176)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NC(CO)CO)c2nc(N)ncc2c1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585512
PNG
(CHEMBL5075223)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(NCC2CCN(C)CC2)c2nc(N)ncc2c1
PDB

UniProtKB/SwissProt

antibodypedia
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM50585519
PNG
(CHEMBL5075556)
Show SMILES CCc1cc(O)c(F)cc1-c1cc(N[C@@H](C)CO)c2nc(NCCCCCN(C)C)ncc2c1 |r|
PDB

UniProtKB/SwissProt

antibodypedia
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MCE
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UniChem
PDB
Article
PubMed
n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK1/JAK2/TYK1 in human lung fibroblast cells assessed as IL-13 induced eotaxin production incubated for 20 to 24 hrs by MSD assay


Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c01765
BindingDB Entry DOI: 10.7270/Q25T3QDN
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545965
PNG
(CHEMBL4788860 | US11649241, Example 7)
Show SMILES FC(F)Oc1ccc(Cl)cc1-c1n[nH]cc1NC(=O)c1snc2cccnc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545972
PNG
(CHEMBL4788474)
Show SMILES COc1ccc(Cl)cc1-c1nn(C)cc1NC(=O)c1cncc2c[nH]nc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
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antibodypedia
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n/an/a 20n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM50530400
PNG
(CHEMBL4548200)
Show SMILES CNC(=O)c1cnc(Nc2cc(C)ccn2)cc1Nc1ccccc1S(C)(=O)=O
Show InChI InChI=1S/C20H21N5O3S/c1-13-8-9-22-18(10-13)25-19-11-16(14(12-23-19)20(26)21-2)24-15-6-4-5-7-17(15)29(3,27)28/h4-12H,1-3H3,(H,21,26)(H2,22,23,24,25)
PDB

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antibodypedia
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n/an/a 21n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2/JAK1 in IFNalpha-stimulated human Kit225 cells by steady-glo luciferase assay


J Med Chem 62: 8953-8972 (2019)


Article DOI: 10.1021/acs.jmedchem.9b00443
BindingDB Entry DOI: 10.7270/Q2W95DMQ
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2/Tyrosine-protein kinase JAK1/Tyrosine-protein kinase JAK2/Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM50545954
PNG
(CHEMBL4762168)
Show SMILES Clc1ccc(OC2CC2)c(c1)-c1n[nH]cc1NC(=O)c1cnn2cccnc12
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of JAK in human BEAS-2B cells assessed as reduction in IL13-induced STAT6 phosphorylation incubated for 1 hr followed by IL13 addition and...


Citation and Details

Article DOI: 10.1016/j.bmcl.2019.04.008
BindingDB Entry DOI: 10.7270/Q269776T
More data for this
Ligand-Target Pair
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