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Compile Data Set for Download or QSAR

Found 1878 hits of ic50 for UniProtKB: P29597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50146027
PNG
(CHEMBL3763213)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H27N7O2/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-28-8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM2579
PNG
((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...)
Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13
Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Southeast University

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) incubated for 1 hr by spectrophotometric analysis


Bioorg Med Chem 24: 3483-93 (2016)


Article DOI: 10.1016/j.bmc.2016.05.057
BindingDB Entry DOI: 10.7270/Q29G5PQT
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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n/an/a 0.720n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50146030
PNG
(CHEMBL3763991)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)/t13-/m0/s1
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n/an/a 0.920n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM50146026
PNG
(CHEMBL3764277)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(C3CCOCC3)n(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H28N6O2/c1-11(2)12(3)26-10-14(18-17(20(26)27)19(21)23-22-18)15-9-16(25(4)24-15)13-5-7-28-8-6-13/h9-13H,5-8H2,1-4H3,(H3,21,22,23)/t12-/m0/s1
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n/an/a 0.980n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



University of Oxford

Curated by ChEMBL


Assay Description
Inhibition of Tyk2


Proc Natl Acad Sci USA 104: 20523-8 (2007)

Checked by Author
Article DOI: 10.1073/pnas.0708800104
BindingDB Entry DOI: 10.7270/Q2DB82RH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM26198
PNG
(4-tert-butyl-15-fluoro-3,5,10-triazatetracyclo[11....)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1ccc(F)cc1c1c2cc[nH]c1=O
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of Tyrosine kinase 2 kinase


Bioorg Med Chem Lett 12: 1219-23 (2002)


Article DOI: 10.1016/s0960-894x(02)00106-3
BindingDB Entry DOI: 10.7270/Q2JW8D67
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM239955
PNG
(US9403801, 14A | US9403801, 14B)
Show SMILES Cn1cc(Nc2ncc(Cl)c(NC3CCC4(CCN(C4)C(=O)CC#N)CC3)n2)cn1
Show InChI InChI=1S/C20H25ClN8O/c1-28-12-15(10-24-28)26-19-23-11-16(21)18(27-19)25-14-2-5-20(6-3-14)7-9-29(13-20)17(30)4-8-22/h10-12,14H,2-7,9,13H2,1H3,(H2,23,25,26,27)
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n/an/a 1n/an/an/an/a7.025



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity approx...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198268
PNG
(US9216999, 75 | US9556187, Example 75)
Show SMILES ClC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16ClN5/c15-7-9-1-3-10(4-2-9)12-13-11-5-6-16-14(11)17-8-20(13)19-18-12/h5-6,8-10,16H,1-4,7H2/t9-,10-
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n/an/a 1.20n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198268
PNG
(US9216999, 75 | US9556187, Example 75)
Show SMILES ClC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16ClN5/c15-7-9-1-3-10(4-2-9)12-13-11-5-6-16-14(11)17-8-20(13)19-18-12/h5-6,8-10,16H,1-4,7H2/t9-,10-
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n/an/a 1.20n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50146025
PNG
(CHEMBL3765517)
Show SMILES CC(C)[C@H](C)n1cc(-c2cc(N3CCS(=O)(=O)CC3)n(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C19H27N7O3S/c1-11(2)12(3)26-10-13(17-16(19(26)27)18(20)22-21-17)14-9-15(24(4)23-14)25-5-7-30(28,29)8-6-25/h9-12H,5-8H2,1-4H3,(H3,20,21,22)/t12-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM50146031
PNG
(CHEMBL3763252)
Show SMILES CC(C)C(C)n1cc(-c2ccc(cn2)N2CCOCC2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C20H26N6O2/c1-12(2)13(3)26-11-15(18-17(20(26)27)19(21)24-23-18)16-5-4-14(10-22-16)25-6-8-28-9-7-25/h4-5,10-13H,6-9H2,1-3H3,(H3,21,23,24)
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n/an/a 1.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM50152595
PNG
(CHEMBL3780091)
Show SMILES N[C@H]1CC[C@H](CC1)Nc1cc[nH]c(=O)c1-c1nc2ccccc2[nH]1
Show InChI InChI=1S/C18H21N5O/c19-11-5-7-12(8-6-11)21-15-9-10-20-18(24)16(15)17-22-13-3-1-2-4-14(13)23-17/h1-4,9-12H,5-8,19H2,(H,22,23)(H2,20,21,24)/t11-,12+
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n/an/a 1.5n/an/an/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 26: 1803-8 (2016)


Article DOI: 10.1016/j.bmcl.2016.02.035
BindingDB Entry DOI: 10.7270/Q23B6203
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50122319
PNG
(CHEMBL3622150)
Show SMILES CCn1c(cc2c1nc(Nc1cc(C)[nH]n1)c1ncn(C)c21)C(=O)N(C1CC1)C1CC1
Show InChI InChI=1S/C22H26N8O/c1-4-29-16(22(31)30(13-5-6-13)14-7-8-14)10-15-19-18(23-11-28(19)3)20(25-21(15)29)24-17-9-12(2)26-27-17/h9-11,13-14H,4-8H2,1-3H3,(H2,24,25,26,27)
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n/an/a 1.90n/an/an/an/an/an/a



Bristol-Myers Squibb R&D

Curated by ChEMBL


Assay Description
Inhibition of recombinant TYK2 (unknown origin) by scintillation counting method


ACS Med Chem Lett 6: 850-5 (2015)


Article DOI: 10.1021/acsmedchemlett.5b00226
BindingDB Entry DOI: 10.7270/Q2CJ8G8Z
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50035810
PNG
(CHEMBL3359927)
Show SMILES C[C@]1(F)CCC[C@H]1Nc1c(cnn2cccc12)C(N)=O
Show InChI InChI=1S/C14H17FN4O/c1-14(15)6-2-5-11(14)18-12-9(13(16)20)8-17-19-7-3-4-10(12)19/h3-4,7-8,11,18H,2,5-6H2,1H3,(H2,16,20)/t11-,14+/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Bristol-Myers Squibb Company

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin) by caliper assay


Bioorg Med Chem Lett 24: 5721-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.10.061
BindingDB Entry DOI: 10.7270/Q2D79D1K
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50146024
PNG
(CHEMBL3765822)
Show SMILES CC(C)[C@@H](C)n1cc(-c2cc(n(C)n2)C(C)(C)O)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C18H26N6O2/c1-9(2)10(3)24-8-11(15-14(17(24)25)16(19)21-20-15)12-7-13(18(4,5)26)23(6)22-12/h7-10,26H,1-6H3,(H3,19,20,21)/t10-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM198294
PNG
(US9216999, 101 | US9556187, Example 101)
Show SMILES Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C21H23FN6/c22-17-7-3-15(4-8-17)12-23-11-14-1-5-16(6-2-14)19-20-18-9-10-24-21(18)25-13-28(20)27-26-19/h3-4,7-10,13-14,16,23-24H,1-2,5-6,11-12H2/t14-,16-
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US Patent
n/an/a 2.30n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198294
PNG
(US9216999, 101 | US9556187, Example 101)
Show SMILES Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C21H23FN6/c22-17-7-3-15(4-8-17)12-23-11-14-1-5-16(6-2-14)19-20-18-9-10-24-21(18)25-13-28(20)27-26-19/h3-4,7-10,13-14,16,23-24H,1-2,5-6,11-12H2/t14-,16-
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n/an/a 2.30n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198267
PNG
(US9216999, 74 | US9556187, Example 74)
Show SMILES BrC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16BrN5/c15-7-9-1-3-10(4-2-9)12-13-11-5-6-16-14(11)17-8-20(13)19-18-12/h5-6,8-10,16H,1-4,7H2/t9-,10-
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n/an/a 2.60n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198291
PNG
(US9216999, 98 | US9556187, Example 98)
Show SMILES FC(F)(F)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H23F3N6/c23-22(24,25)17-7-3-15(4-8-17)12-26-11-14-1-5-16(6-2-14)19-20-18-9-10-27-21(18)28-13-31(20)30-29-19/h3-4,7-10,13-14,16,26-27H,1-2,5-6,11-12H2/t14-,16-
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n/an/a 2.60n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198291
PNG
(US9216999, 98 | US9556187, Example 98)
Show SMILES FC(F)(F)c1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H23F3N6/c23-22(24,25)17-7-3-15(4-8-17)12-26-11-14-1-5-16(6-2-14)19-20-18-9-10-27-21(18)28-13-31(20)30-29-19/h3-4,7-10,13-14,16,26-27H,1-2,5-6,11-12H2/t14-,16-
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n/an/a 2.60n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198267
PNG
(US9216999, 74 | US9556187, Example 74)
Show SMILES BrC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C14H16BrN5/c15-7-9-1-3-10(4-2-9)12-13-11-5-6-16-14(11)17-8-20(13)19-18-12/h5-6,8-10,16H,1-4,7H2/t9-,10-
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NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198376
PNG
(US9216999, 177 | US9556187, Example 177)
Show SMILES Clc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C21H23ClN6/c22-17-7-3-15(4-8-17)12-23-11-14-1-5-16(6-2-14)19-20-18-9-10-24-21(18)25-13-28(20)27-26-19/h3-4,7-10,13-14,16,23-24H,1-2,5-6,11-12H2/t14-,16-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198376
PNG
(US9216999, 177 | US9556187, Example 177)
Show SMILES Clc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C21H23ClN6/c22-17-7-3-15(4-8-17)12-23-11-14-1-5-16(6-2-14)19-20-18-9-10-24-21(18)25-13-28(20)27-26-19/h3-4,7-10,13-14,16,23-24H,1-2,5-6,11-12H2/t14-,16-
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NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM130257
PNG
(US8815840, 17)
Show SMILES CN1CCN(CC1)C(=O)c1ccc2[nH]c3c(cc(cc3c2c1)-c1ccc(Cl)cc1)C(N)=O
Show InChI InChI=1S/C25H23ClN4O2/c1-29-8-10-30(11-9-29)25(32)16-4-7-22-19(12-16)20-13-17(15-2-5-18(26)6-3-15)14-21(24(27)31)23(20)28-22/h2-7,12-14,28H,8-11H2,1H3,(H2,27,31)
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Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Bristol-Myers Squibb Co.

Curated by ChEMBL


Assay Description
Inhibition of TYK2 (unknown origin)


Bioorg Med Chem Lett 25: 2809-12 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.101
BindingDB Entry DOI: 10.7270/Q2BC419G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198643
PNG
(US9216999, 435b | US9556187, Example 435b)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C15H16N6/c16-7-5-10-1-3-11(4-2-10)13-14-12-6-8-17-15(12)18-9-21(14)20-19-13/h6,8-11,17H,1-5H2/t10-,11-
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n/an/a 2.90n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198643
PNG
(US9216999, 435b | US9556187, Example 435b)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C15H16N6/c16-7-5-10-1-3-11(4-2-10)13-14-12-6-8-17-15(12)18-9-21(14)20-19-13/h6,8-11,17H,1-5H2/t10-,11-
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n/an/a 2.90n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198305
PNG
(US9216999, 112 | US9556187, Example 112)
Show SMILES Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F
Show InChI InChI=1S/C22H22F4N6/c23-18-6-3-14(9-17(18)22(24,25)26)11-27-10-13-1-4-15(5-2-13)19-20-16-7-8-28-21(16)29-12-32(20)31-30-19/h3,6-9,12-13,15,27-28H,1-2,4-5,10-11H2/t13-,15-
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n/an/a 3.30n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198305
PNG
(US9216999, 112 | US9556187, Example 112)
Show SMILES Fc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1C(F)(F)F
Show InChI InChI=1S/C22H22F4N6/c23-18-6-3-14(9-17(18)22(24,25)26)11-27-10-13-1-4-15(5-2-13)19-20-16-7-8-28-21(16)29-12-32(20)31-30-19/h3,6-9,12-13,15,27-28H,1-2,4-5,10-11H2/t13-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198299
PNG
(US9216999, 106 | US9556187, Example 106)
Show SMILES Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C20H24N6S/c1-13-2-7-16(27-13)11-21-10-14-3-5-15(6-4-14)18-19-17-8-9-22-20(17)23-12-26(19)25-24-18/h2,7-9,12,14-15,21-22H,3-6,10-11H2,1H3/t14-,15-
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n/an/a 3.60n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198299
PNG
(US9216999, 106 | US9556187, Example 106)
Show SMILES Cc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)s1
Show InChI InChI=1S/C20H24N6S/c1-13-2-7-16(27-13)11-21-10-14-3-5-15(6-4-14)18-19-17-8-9-22-20(17)23-12-26(19)25-24-18/h2,7-9,12,14-15,21-22H,3-6,10-11H2,1H3/t14-,15-
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n/an/a 3.60n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM239963
PNG
(US9403801, 28)
Show SMILES CC(=O)N1CCC2(CCC(CC2)Nc2nc(Nc3cnn(C)c3)ncc2Cl)CC1
Show InChI InChI=1S/C20H28ClN7O/c1-14(29)28-9-7-20(8-10-28)5-3-15(4-6-20)24-18-17(21)12-22-19(26-18)25-16-11-23-27(2)13-16/h11-13,15H,3-10H2,1-2H3,(H2,22,24,25,26)
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n/an/a 4n/an/an/an/a7.025



CALITOR SCIENCES, LLC; SUNSHINE LAKE PHARMA CO., LTD.

US Patent


Assay Description
TYK2 (h) is incubated with 8 mM MOPS pH 7.0, 0.2 mM EDTA, 250 μM GGMEDIYFEFMGGKKK, 10 mM MgAcetate and [γ-33P-ATP](specific activity approx...


US Patent US9403801 (2016)


BindingDB Entry DOI: 10.7270/Q200011G
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281371
PNG
(US10022376, Example 31)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O5S/c1-5-13-9-21(34)17(26)10-16(13)18-11-19-22(23(31-30-19)25(35)27-2)24(29-18)28-12-14-8-15(33)6-7-20(14)32(3)38(4,36)37/h6-11,33-34H,5,12H2,1-4H3,(H,27,35)(H,28,29)(H,30,31)
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n/an/a 4.60n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US10022376 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281371
PNG
(US10022376, Example 31)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2cc(O)ccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O5S/c1-5-13-9-21(34)17(26)10-16(13)18-11-19-22(23(31-30-19)25(35)27-2)24(29-18)28-12-14-8-15(33)6-7-20(14)32(3)38(4,36)37/h6-11,33-34H,5,12H2,1-4H3,(H,27,35)(H,28,29)(H,30,31)
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n/an/a 4.60n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281310
PNG
(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)
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n/an/a 4.70n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US10022376 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281310
PNG
(US10022376, Example 131)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]ncc2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C23H24FN5O3S/c1-4-14-9-22(30)18(24)10-16(14)19-11-20-17(13-26-28-20)23(27-19)25-12-15-7-5-6-8-21(15)29(2)33(3,31)32/h5-11,13,30H,4,12H2,1-3H3,(H,25,27)(H,26,28)
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n/an/a 4.70n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281328
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc2[nH]ncc12)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C24H26FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)20-12-21-18(14-27-29-21)24(28-20)26-13-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-12,14,31H,4-5,13H2,1-3H3,(H,26,28)(H,27,29)
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n/an/a 4.80n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US10022376 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198473
PNG
(US9216999, 270 | US9556187, Example 270)
Show SMILES COc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H26N6O/c1-29-18-8-4-16(5-9-18)13-23-12-15-2-6-17(7-3-15)20-21-19-10-11-24-22(19)25-14-28(21)27-26-20/h4-5,8-11,14-15,17,23-24H,2-3,6-7,12-13H2,1H3/t15-,17-
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n/an/a 4.80n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM286314
PNG
(N-ethyl-N-[2-({[6-(2-ethyl-5-fluoro-4-hydroxypheny...)
Show SMILES CCN(c1ccccc1CNc1nc(cc(N)c1C=N)-c1cc(F)c(O)cc1CC)S(C)(=O)=O
Show InChI InChI=1S/C24H28FN5O3S/c1-4-15-10-23(31)19(25)11-17(15)21-12-20(27)18(13-26)24(29-21)28-14-16-8-6-7-9-22(16)30(5-2)34(3,32)33/h6-13,26,31H,4-5,14H2,1-3H3,(H3,27,28,29)
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n/an/a 4.80n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281343
PNG
(6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-N-methyl-4-(...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(H,28,29)(H,30,31)
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n/an/a 4.80n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US9518052 (2016)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM281343
PNG
(6-(2-ethyl-5-fluoro-4-hydroxy-phenyl)-N-methyl-4-(...)
Show SMILES CCc1cc(O)c(F)cc1-c1cc2[nH]nc(C(=O)NC)c2c(NCc2ccccc2N(C)S(C)(=O)=O)n1
Show InChI InChI=1S/C25H27FN6O4S/c1-5-14-10-21(33)17(26)11-16(14)18-12-19-22(23(31-30-19)25(34)27-2)24(29-18)28-13-15-8-6-7-9-20(15)32(3)37(4,35)36/h6-12,33H,5,13H2,1-4H3,(H,27,34)(H,28,29)(H,30,31)
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n/an/a 4.80n/an/an/an/a7.425



Pfizer Inc.

US Patent


Assay Description
Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...


US Patent US10022376 (2018)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50124208
PNG
(ASP-015K | ASP015K | PEFICITINIB | Peficitinib)
Show SMILES NC(=O)c1cnc2[nH]ccc2c1N[C@H]1[C@H]2CC3C[C@@H]1C[C@](O)(C3)C2
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)/t9?,10-,11+,14-,18-
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n/an/a 4.80n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin)


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198473
PNG
(US9216999, 270 | US9556187, Example 270)
Show SMILES COc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H26N6O/c1-29-18-8-4-16(5-9-18)13-23-12-15-2-6-17(7-3-15)20-21-19-10-11-24-22(19)25-14-28(21)27-26-20/h4-5,8-11,14-15,17,23-24H,2-3,6-7,12-13H2,1H3/t15-,17-
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n/an/a 4.80n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198303
PNG
(US9216999, 110 | US9556187, Example 110)
Show SMILES FC(F)(F)Oc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H23F3N6O/c23-22(24,25)32-17-7-3-15(4-8-17)12-26-11-14-1-5-16(6-2-14)19-20-18-9-10-27-21(18)28-13-31(20)30-29-19/h3-4,7-10,13-14,16,26-27H,1-2,5-6,11-12H2/t14-,16-
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n/an/a 4.90n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198303
PNG
(US9216999, 110 | US9556187, Example 110)
Show SMILES FC(F)(F)Oc1ccc(CNC[C@H]2CC[C@@H](CC2)c2nnn3cnc4[nH]ccc4c23)cc1
Show InChI InChI=1S/C22H23F3N6O/c23-22(24,25)32-17-7-3-15(4-8-17)12-26-11-14-1-5-16(6-2-14)19-20-18-9-10-27-21(18)28-13-31(20)30-29-19/h3-4,7-10,13-14,16,26-27H,1-2,5-6,11-12H2/t14-,16-
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n/an/a 4.90n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50109821
PNG
(CHEBI:87103 | CHEMBL21156)
Show SMILES CC(C)(C)c1nc2c([nH]1)c1cc[nH]c(=O)c1c1cc(F)ccc21
Show InChI InChI=1S/C18H16FN3O/c1-18(2,3)17-21-14-10-5-4-9(19)8-12(10)13-11(15(14)22-17)6-7-20-16(13)23/h4-8H,1-3H3,(H,20,23)(H,21,22)
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n/an/a 5n/an/an/an/an/an/a



Konkuk University

Curated by ChEMBL


Assay Description
Inhibition of Tyk2 (unknown origin) using 25 uM of ATP and Tyr3 peptide by Z'-LYTE kinase assay


J Med Chem 58: 7596-602 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01263
BindingDB Entry DOI: 10.7270/Q2H70HND
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50084464
PNG
(CHEMBL3426891)
Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc(Cl)c(NC[C@H]3CCCO3)n2)cc1
Show InChI InChI=1S/C20H27ClN6O/c1-26-8-10-27(11-9-26)16-6-4-15(5-7-16)24-20-23-14-18(21)19(25-20)22-13-17-3-2-12-28-17/h4-7,14,17H,2-3,8-13H2,1H3,(H2,22,23,24,25)/t17-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



University of South Florida

Curated by ChEMBL


Assay Description
Inhibition of human TYK2 using KKSRGDYMTMQIG peptide substrate by 33P Hotspot assay


J Med Chem 58: 2746-63 (2015)


Article DOI: 10.1021/jm501929n
BindingDB Entry DOI: 10.7270/Q2H996XC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM198392
PNG
(US9216999, 193 | US9556187, Example 193)
Show SMILES C(NCc1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C21H24N6/c1-2-4-15(5-3-1)12-22-13-16-6-8-17(9-7-16)19-20-18-10-11-23-21(18)24-14-27(20)26-25-19/h1-5,10-11,14,16-17,22-23H,6-9,12-13H2/t16-,17-
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n/an/a 5.5n/an/an/an/an/a25



NISSAN CHEMICAL INDUSTRIES, LTD.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9556187 (2017)

More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50146028
PNG
(CHEMBL3764030)
Show SMILES CC(C)[C@H](C)n1cc(-c2ccn(C)n2)c2[nH]nc(N)c2c1=O
Show InChI InChI=1S/C15H20N6O/c1-8(2)9(3)21-7-10(11-5-6-20(4)19-11)13-12(15(21)22)14(16)18-17-13/h5-9H,1-4H3,(H3,16,17,18)/t9-/m0/s1
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n/an/a 5.5n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human TYK2 kinase domain (885-1176 residues) using Ulight-JAK1 substrate peptide assessed as reduction in ATP-dependent sub...


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


(Homo sapiens (Human))
BDBM198392
PNG
(US9216999, 193 | US9556187, Example 193)
Show SMILES C(NCc1ccccc1)[C@H]1CC[C@@H](CC1)c1nnn2cnc3[nH]ccc3c12
Show InChI InChI=1S/C21H24N6/c1-2-4-15(5-3-1)12-22-13-16-6-8-17(9-7-16)19-20-18-10-11-23-21(18)24-14-27(20)26-25-19/h1-5,10-11,14,16-17,22-23H,6-9,12-13H2/t16-,17-
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n/an/a 5.5n/an/an/an/a7.5n/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
JAK1, JAK2, JAK3 and Tyk2 were purchased from Carna Biosciences, Inc. As the substrate, LANCE Ultra ULight-JAK1 Peptide (manufactured by PerkinElmer ...


US Patent US9216999 (2015)


BindingDB Entry DOI: 10.7270/Q28C9V2J
More data for this
Ligand-Target Pair
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