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Compile Data Set for Download or QSAR

Found 853 hits of ki for UniProtKB: A0A024R7E4   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526620
PNG
(CHEMBL4460368)
Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H22FN9O2/c1-11-7-18(28-29(11)3)30-6-4-5-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)27-17)20(32)26-14-8-12(14)22/h4-7,9-10,12,14,23H,8H2,1-3H3,(H,25,27)(H,26,32)/t12-,14+/m0/s1
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0.0150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526622
PNG
(CHEMBL4442827)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H20FN9O2/c1-11-5-6-18(28-27-11)30-7-3-4-13(21(30)33)25-17-9-15(23-2)19-24-10-16(31(19)29-17)20(32)26-14-8-12(14)22/h3-7,9-10,12,14,23H,8H2,1-2H3,(H,25,29)(H,26,32)/t12-,14+/m0/s1
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0.0180n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
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)/i1D3
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0.0200n/an/an/an/an/an/an/an/a



Gilead Sciences

Curated by ChEMBL


Assay Description
Binding affinity to TYK2 pseudokinase domain (unknown origin)


Bioorg Med Chem Lett 29: 2034-2041 (2019)


Article DOI: 10.1016/j.bmcl.2019.06.042
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
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)/i1D3
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0.0200n/an/an/an/an/an/an/an/a



China Pharmaceutical University

Curated by ChEMBL


Assay Description
Inhibition of TYK2 in human Jurkat cells assessed as reduction in IFN-alpha stimulated TYK2 phosphorylation by caspase3/7 reagent-based Western blot ...


Eur J Med Chem 163: 413-427 (2019)


Article DOI: 10.1016/j.ejmech.2018.11.072
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50507816
PNG
(BMS-986165 | Bms-986165 | DEUCRAVACITINIB | Deucra...)
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)/i1D3
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0.0200n/an/an/an/an/an/an/an/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
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526613
PNG
(CHEMBL4571920)
Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H18F2N8O2/c1-24-14-9-17(29-31-15(10-25-19(14)31)20(32)27-13-8-11(13)22)26-12-4-3-7-30(21(12)33)18-6-2-5-16(23)28-18/h2-7,9-11,13,24H,8H2,1H3,(H,26,29)(H,27,32)/t11-,13+/m0/s1
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0.0240n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526619
PNG
(CHEMBL4439957)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H18F2N8O2/c1-24-15-8-17(29-31-16(10-26-19(15)31)20(32)28-14-7-12(14)23)27-13-3-2-6-30(21(13)33)18-5-4-11(22)9-25-18/h2-6,8-10,12,14,24H,7H2,1H3,(H,27,29)(H,28,32)/t12-,14+/m0/s1
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0.0350n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50530394
PNG
(CHEMBL4561663)
Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25)
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


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


(Homo sapiens (Human))
BDBM50530394
PNG
(CHEMBL4561663)
Show SMILES NC(=O)c1ccccc1Nc1cc(Nc2ccc(F)cn2)ncc1C(N)=O
Show InChI InChI=1S/C18H15FN6O2/c19-10-5-6-15(22-8-10)25-16-7-14(12(9-23-16)18(21)27)24-13-4-2-1-3-11(13)17(20)26/h1-9H,(H2,20,26)(H2,21,27)(H2,22,23,24,25)
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0.0600n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


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


(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)/i1D3
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


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


(Homo sapiens (Human))
BDBM50526615
PNG
(CHEMBL4434711)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C(C)(C)O)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C25H27N7O3/c1-25(2,35)15-6-10-17(11-7-15)31-12-4-5-18(24(31)34)29-21-13-19(26-3)22-27-14-20(32(22)30-21)23(33)28-16-8-9-16/h4-7,10-14,16,26,35H,8-9H2,1-3H3,(H,28,33)(H,29,30)
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0.0700n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(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)/i1D3
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0.0700n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of TYK2 JH2 (unknown origin) by morrison titration assay


J Med Chem 62: 8953-8972 (2019)


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


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, Example 1-2 | US10519153, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0800n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, Example 1-2 | US10519153, Example 1-2)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(NCc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0800n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526606
PNG
(CHEMBL4532948)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)N[C@@H]1C[C@@H]1F
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(26-13-5-4-8-29(21(13)32)18-6-2-3-7-24-18)28-30-16(11-25-19(15)30)20(31)27-14-9-12(14)22/h2-8,10-12,14,23H,9H2,1H3,(H,26,28)(H,27,31)/t12-,14+/m0/s1
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0.0860n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526624
PNG
(CHEMBL4443010)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(C)nn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H21N9O2/c1-12-5-8-18(27-26-12)29-9-3-4-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)28-17)20(31)24-13-6-7-13/h3-5,8-11,13,22H,6-7H2,1-2H3,(H,24,31)(H,25,28)
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0.0910n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277400
PNG
(1-(((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)am...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1
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<0.100n/an/an/an/an/an/a7.5n/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10072026 (2018)


BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526617
PNG
(CHEMBL4435047)
Show SMILES CNc1cc(Nc2cccn(-c3ncccc3F)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-10-17(28-30-16(11-25-19(15)30)20(31)26-12-6-7-12)27-14-5-3-9-29(21(14)32)18-13(22)4-2-8-24-18/h2-5,8-12,23H,6-7H2,1H3,(H,26,31)(H,27,28)
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0.120n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526621
PNG
(CHEMBL4438107)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC(C)C
Show InChI InChI=1S/C21H22N8O2/c1-13(2)25-20(30)16-12-24-19-15(22-3)11-17(27-29(16)19)26-14-7-6-10-28(21(14)31)18-8-4-5-9-23-18/h4-13,22H,1-3H3,(H,25,30)(H,26,27)
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526603
PNG
(CHEMBL4293907)
Show SMILES CNc1cc(Nc2cc(C)cc(C)c2)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C19H22N6O/c1-11-6-12(2)8-14(7-11)22-17-9-15(20-3)18-21-10-16(25(18)24-17)19(26)23-13-4-5-13/h6-10,13,20H,4-5H2,1-3H3,(H,22,24)(H,23,26)
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0.130n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526607
PNG
(CHEMBL4474801)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)nc3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-18(28-30-16(11-25-19(15)30)20(31)26-12-4-5-12)27-14-3-2-8-29(21(14)32)13-6-7-17(22)24-10-13/h2-3,6-12,23H,4-5H2,1H3,(H,26,31)(H,27,28)
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0.140n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526604
PNG
(CHEMBL4561123)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-15-9-17(28-30-16(11-25-19(15)30)20(31)26-13-5-6-13)27-14-3-2-8-29(21(14)32)18-7-4-12(22)10-24-18/h2-4,7-11,13,23H,5-6H2,1H3,(H,26,31)(H,27,28)
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0.150n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526610
PNG
(CHEMBL4453441)
Show SMILES CNc1cc(Nc2cccn(-c3ccc(cc3)C#N)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C23H20N8O2/c1-25-18-11-20(29-31-19(13-26-21(18)31)22(32)27-15-6-7-15)28-17-3-2-10-30(23(17)33)16-8-4-14(12-24)5-9-16/h2-5,8-11,13,15,25H,6-7H2,1H3,(H,27,32)(H,28,29)
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0.200n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526616
PNG
(CHEMBL4579439)
Show SMILES CNc1cc(Nc2cccn(-c3cccc(F)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H19FN8O2/c1-23-14-10-17(28-30-15(11-24-19(14)30)20(31)25-12-7-8-12)26-13-4-3-9-29(21(13)32)18-6-2-5-16(22)27-18/h2-6,9-12,23H,7-8H2,1H3,(H,25,31)(H,26,28)
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0.220n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM425494
PNG
(US10519153, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CC(N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-
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0.25n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350095
PNG
(US10208040, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526605
PNG
(CHEMBL4438296)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CCC1
Show InChI InChI=1S/C22H22N8O2/c1-23-16-12-18(27-15-8-5-11-29(22(15)32)19-9-2-3-10-24-19)28-30-17(13-25-20(16)30)21(31)26-14-6-4-7-14/h2-3,5,8-14,23H,4,6-7H2,1H3,(H,26,31)(H,27,28)
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0.260n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526612
PNG
(CHEMBL4543066)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C23H26N8O3/c1-23(2,14-32)13-27-21(33)17-12-26-20-16(24-3)11-18(29-31(17)20)28-15-7-6-10-30(22(15)34)19-8-4-5-9-25-19/h4-12,24,32H,13-14H2,1-3H3,(H,27,33)(H,28,29)
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0.290n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526611
PNG
(CHEMBL4585272)
Show SMILES CNc1cc(Nc2cccn(-c3ccncc3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H20N8O2/c1-22-16-11-18(27-29-17(12-24-19(16)29)20(30)25-13-4-5-13)26-15-3-2-10-28(21(15)31)14-6-8-23-9-7-14/h2-3,6-13,22H,4-5H2,1H3,(H,25,30)(H,26,27)
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0.290n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261255
PNG
(CHEMBL4084436)
Show SMILES Nc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C16H11Cl2N7/c17-8-2-1-3-9(18)13(8)15-23-10-4-5-20-16(14(10)25-15)24-12-6-11(19)21-7-22-12/h1-7H,(H,23,25)(H3,19,20,21,22,24)
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0.300n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120132
PNG
(US8697708, 18)
Show SMILES OCc1ccnc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2Cl)c1
Show InChI InChI=1S/C18H12Cl2N4OS/c19-11-2-1-3-12(20)15(11)18-23-13-5-7-22-17(16(13)26-18)24-14-8-10(9-25)4-6-21-14/h1-8,25H,9H2,(H,21,22,24)
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0.300 -12.9n/an/an/an/an/a7.222



F. Hoffmann-La Roche Inc

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120141
PNG
(US8697708, 224)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2[N+]#[C-])ncn1
Show InChI InChI=1S/C18H9FN8S/c1-22-11-4-2-3-10(19)14(11)18-27-15-9(6-20)7-23-17(16(15)28-18)26-13-5-12(21)24-8-25-13/h2-5,7-8H,(H3,21,23,24,25,26)
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0.300 -12.9n/an/an/an/an/a7.222



F. Hoffmann-La Roche Inc

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM333120
PNG
((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10196393 (2019)


BindingDB Entry DOI: 10.7270/Q2ST7RZB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM333120
PNG
((S)-(3-(dimethylamino)azetidin-1-yl)(2-(6-(2-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC(C1)N(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-6-17-10-27(39)22(31)11-21(17)18-7-8-20-23(9-18)34-35-28(20)29-32-24-12-26(38(16(2)3)15-25(24)33-29)30(40)37-13-19(14-37)36(4)5/h7-11,16,19,26,39H,6,12-15H2,1-5H3/b29-28-/t26-/m0/s1
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0.320n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10550118 (2020)


BindingDB Entry DOI: 10.7270/Q25D8V88
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526608
PNG
(CHEMBL4547009)
Show SMILES CNc1cc(Nc2cccn(C3CC3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C19H21N7O2/c1-20-14-9-16(23-13-3-2-8-25(19(13)28)12-6-7-12)24-26-15(10-21-17(14)26)18(27)22-11-4-5-11/h2-3,8-12,20H,4-7H2,1H3,(H,22,27)(H,23,24)
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0.330n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526623
PNG
(CHEMBL4466139)
Show SMILES CNc1cc(Nc2cccn(-c3ccccn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H20N8O2/c1-22-15-11-17(27-29-16(12-24-19(15)29)20(30)25-13-7-8-13)26-14-5-4-10-28(21(14)31)18-6-2-3-9-23-18/h2-6,9-13,22H,7-8H2,1H3,(H,25,30)(H,26,27)
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0.340n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526618
PNG
(CHEMBL4437714)
Show SMILES CNc1cc(Nc2cccn(-c3ncc(F)cn3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C20H18FN9O2/c1-22-14-7-16(28-30-15(10-23-17(14)30)18(31)26-12-4-5-12)27-13-3-2-6-29(19(13)32)20-24-8-11(21)9-25-20/h2-3,6-10,12,22H,4-5H2,1H3,(H,26,31)(H,27,28)
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0.380n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350090
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C
Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10208040 (2019)


BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350090
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C
Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10519153 (2019)


BindingDB Entry DOI: 10.7270/Q2DB8482
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120140
PNG
(US8697708, 223)
Show SMILES Nc1cc(Nc2ncc(C#N)c3nc(sc23)-c2c(F)cccc2Cl)ncn1
Show InChI InChI=1S/C17H9ClFN7S/c18-9-2-1-3-10(19)13(9)17-26-14-8(5-20)6-22-16(15(14)27-17)25-12-4-11(21)23-7-24-12/h1-4,6-7H,(H3,21,22,23,24,25)
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0.400 -12.7n/an/an/an/an/a7.222



F. Hoffmann-La Roche Inc

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM333122
PNG
((S)-(3-(dimethylamino)-3-methylazetidin-1-yl)(2-(6...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CC(C)(C1)N(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H36FN7O2/c1-6-10-38-15-25-24(14-26(38)30(41)39-16-31(3,17-39)37(4)5)33-29(34-25)28-20-9-8-19(11-23(20)35-36-28)21-13-22(32)27(40)12-18(21)7-2/h8-9,11-13,26,40H,6-7,10,14-17H2,1-5H3/b29-28-/t26-/m0/s1
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0.400n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10196393 (2019)


BindingDB Entry DOI: 10.7270/Q2ST7RZB
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM431908
PNG
(US10550118, Example 8-15)
Show SMILES CCN1Cc2[nH]c(nc2C[C@@H]1C(=O)N1CC(C1)N1CCCCC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H36FN7O2/c1-3-19-13-29(41)24(33)14-23(19)20-8-9-22-25(12-20)36-37-30(22)31-34-26-15-28(38(4-2)18-27(26)35-31)32(42)40-16-21(17-40)39-10-6-5-7-11-39/h8-9,12-14,21,28,41H,3-7,10-11,15-18H2,1-2H3/b31-30-/t28-/m1/s1
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0.400n/an/an/an/an/an/an/an/a



Theravance Biopharma R&D IP, LLC

US Patent


Assay Description
A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...


US Patent US10550118 (2020)


BindingDB Entry DOI: 10.7270/Q25D8V88
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261268
PNG
(CHEMBL4062758)
Show SMILES Cc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C17H12Cl2N6/c1-9-7-13(22-8-21-9)24-17-15-12(5-6-20-17)23-16(25-15)14-10(18)3-2-4-11(14)19/h2-8H,1H3,(H,23,25)(H,20,21,22,24)
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0.400n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of JAK2 (unknown origin) assessed as reduction in EPO-mediated STAT5 phosphorylation by cell based readout assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50526609
PNG
(CHEMBL4454109)
Show SMILES CNc1cc(Nc2cccn(-c3cc(C)n(C)n3)c2=O)nn2c(cnc12)C(=O)NC1CC1
Show InChI InChI=1S/C21H23N9O2/c1-12-9-18(27-28(12)3)29-8-4-5-14(21(29)32)25-17-10-15(22-2)19-23-11-16(30(19)26-17)20(31)24-13-6-7-13/h4-5,8-11,13,22H,6-7H2,1-3H3,(H,24,31)(H,25,26)
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0.480n/an/an/an/an/an/an/an/a



Bristol-Myers Squibb

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-labeled kinase tracer binding to His-TVMV-fused TYK2 JH2 domain (575 to 869 residues) (unknown origin) measured after 90 mi...


ACS Med Chem Lett 10: 383-388 (2019)


Article DOI: 10.1021/acsmedchemlett.9b00035
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120128
PNG
(US8697708, 2)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1
Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)
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0.5 -12.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche Inc

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120128
PNG
(US8697708, 2)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(NC(=O)C3CC3)c2s1
Show InChI InChI=1S/C16H11Cl2N3OS/c17-9-2-1-3-10(18)12(9)16-20-11-6-7-19-14(13(11)23-16)21-15(22)8-4-5-8/h1-3,6-8H,4-5H2,(H,19,21,22)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM120143
PNG
(US8697708, 236)
Show SMILES Cc1nc(CO)cc(Nc2nccc3nc(sc23)-c2c(Cl)cccc2[N+]#[C-])n1
Show InChI InChI=1S/C19H13ClN6OS/c1-10-23-11(9-27)8-15(24-10)26-18-17-14(6-7-22-18)25-19(28-17)16-12(20)4-3-5-13(16)21-2/h3-8,27H,9H2,1H3,(H,22,23,24,26)
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0.5 -12.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche Inc

US Patent


Assay Description
To determine the inhibition constants (Ki) of Examples 1-240, compounds were diluted serially in DMSO and added to 50 μL kinase reactions contai...


US Patent US8697708 (2014)


BindingDB Entry DOI: 10.7270/Q2J38R6F
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261256
PNG
(CHEMBL4071399)
Show SMILES CNc1cc(Nc2nccc3nc([nH]c23)-c2c(Cl)cccc2Cl)ncn1
Show InChI InChI=1S/C17H13Cl2N7/c1-20-12-7-13(23-8-22-12)25-17-15-11(5-6-21-17)24-16(26-15)14-9(18)3-2-4-10(14)19/h2-8H,1H3,(H,24,26)(H2,20,21,22,23,25)
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of CDK5/p35 (unknown origin) using ULingt-4E-BP as substrate after 1 hr in presence of ATP by fluorescence assay


Bioorg Med Chem Lett 27: 4370-4376 (2017)


Article DOI: 10.1016/j.bmcl.2017.08.022
BindingDB Entry DOI: 10.7270/Q2RF5XG8
More data for this
Ligand-Target Pair
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