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Compile Data Set for Download or QSAR

Found 54 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 [888-1187]


(Homo sapiens (Human))		BDBM294911
PNG
(US10112907, Example 00020 | US10766894, Compound T...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r|
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM294911
PNG
(US10112907, Example 00020 | US10766894, Compound T...)
Show SMILES C[C@H](Nc1ncc(Cl)c(Nc2cc(C)[nH]n2)n1)c1ncc(F)cn1 |r|
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
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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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12 |r|
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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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50311017
PNG
(CHEMBL1078178 | Momelotinib | N-(cyanomethyl)-4-(2...)
Show SMILES O=C(NCC#N)c1ccc(cc1)-c1ccnc(Nc2ccc(cc2)N2CCOCC2)n1
Show InChI InChI=1S/C23H22N6O2/c24-10-12-25-22(30)18-3-1-17(2-4-18)21-9-11-26-23(28-21)27-19-5-7-20(8-6-19)29-13-15-31-16-14-29/h1-9,11H,12-16H2,(H,25,30)(H,26,27,28)
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(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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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(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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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM294916
PNG
(US10112907, Example 00027 | US10206907, Compound 1...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM294916
PNG
(US10112907, Example 00027 | US10206907, Compound 1...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(OCc4ccc(nc4)C#N)cc3)n2n1)C1CC1
Show InChI InChI=1S/C23H18N6O2/c24-12-18-9-4-15(13-25-18)14-31-19-10-7-16(8-11-19)20-2-1-3-21-26-23(28-29(20)21)27-22(30)17-5-6-17/h1-4,7-11,13,17H,5-6,14H2,(H,27,28,30)
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM147644
PNG
(US10766894, Compound TABLE 1.6 | US11203595, TABLE...)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1C#N |r|
Show InChI InChI=1S/C18H18F3N5O2/c19-18(20,21)11-1-3-12(4-2-11)24-17-14(16(23)28)9-26(25-17)15-6-5-13(27)7-10(15)8-22/h1-4,9-10,13,15,27H,5-7H2,(H2,23,28)(H,24,25)/t10-,13-,15+/m1/s1
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM294912
PNG
(US10112907, Example 00021)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](O)C[C@@H]1[N+]#[C-] |r|
Show InChI InChI=1S/C18H18F3N5O2/c1-23-14-8-12(27)6-7-15(14)26-9-13(16(22)28)17(25-26)24-11-4-2-10(3-5-11)18(19,20)21/h2-5,9,12,14-15,27H,6-8H2,(H2,22,28)(H,24,25)/t12-,14+,15+/m1/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM294915
PNG
(US10112907, Example 00026)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1[N+]#[C-])N1CCC1 |r|
Show InChI InChI=1S/C21H23F3N6O/c1-26-17-11-15(29-9-2-10-29)7-8-18(17)30-12-16(19(25)31)20(28-30)27-14-5-3-13(4-6-14)21(22,23)24/h3-6,12,15,17-18H,2,7-11H2,(H2,25,31)(H,27,28)/t15-,17-,18-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM462294
PNG
(US10766894, Compound TABLE 1.11 | US11203595, TABL...)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CC[C@H](C[C@H]1C#N)N1CCC1 |r|
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m0/s1
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410174
PNG
(US10370375, Example 22)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)n1cnc2cnc3[nH]ccc3c12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.62,1.79,;-4.25,.38,;-2.96,-.73,;-2.96,-2.27,;-1.63,-3.04,;-.29,-2.27,;1.17,-2.75,;2.08,-1.5,;1.17,-.25,;-.29,-.73,;-1.63,.04,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50402074
PNG
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50402074
PNG
(CHEMBL2206059 | US10112907, Example 00024 | US1076...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3[nH]ccc3c2n1[C@@H]1C[C@H]2CC[C@@H]1C2 |r|
Show InChI InChI=1S/C17H21N5O2S/c1-25(23,24)20-9-15-21-13-8-19-17-12(4-5-18-17)16(13)22(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,20H,2-3,6-7,9H2,1H3,(H,18,19)/t10-,11+,14+/m0/s1
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50193995
PNG
(3-((3R,4R)-4-methyl-3-(methyl(7H-pyrrolo[2,3-d]pyr...)
Show SMILES C[C@@H]1CCN(C[C@@H]1N(C)c1ncnc2[nH]ccc12)C(=O)CC#N |r|
Show InChI InChI=1S/C16H20N6O/c1-11-5-8-22(14(23)3-6-17)9-13(11)21(2)16-12-4-7-18-15(12)19-10-20-16/h4,7,10-11,13H,3,5,8-9H2,1-2H3,(H,18,19,20)/t11-,13+/m1/s1
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n/an/a 230n/an/an/an/an/an/a


TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(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 310n/an/an/an/an/an/a


TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(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 310n/an/an/an/a7.5n/a



NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410170
PNG
(US10370375, Example 18)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)N([O-])=O |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM103727
PNG
(US10112907, Example 00033 | US10206907, Compound 2...)
Show SMILES O=C(Nc1nc2cccc(-c3ccc(CN4CCS(=O)(=O)CC4)cc3)n2n1)C1CC1
Show InChI InChI=1S/C21H23N5O3S/c27-20(17-8-9-17)23-21-22-19-3-1-2-18(26(19)24-21)16-6-4-15(5-7-16)14-25-10-12-30(28,29)13-11-25/h1-7,17H,8-14H2,(H,23,24,27)
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410178
PNG
(US10370375, Example 26)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnc2[nH]ccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410177
PNG
(US10370375, Example 25)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2[nH]ccc12)[N+]([O-])=O |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50021655
PNG
(DECERNOTINIB | US10112907, Example 00017 | US10766...)
Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM50021655
PNG
(DECERNOTINIB | US10112907, Example 00017 | US10766...)
Show SMILES CC[C@@](C)(Nc1ccnc(n1)-c1c[nH]c2ncccc12)C(=O)NCC(F)(F)F |r|
Show InChI InChI=1S/C18H19F3N6O/c1-3-17(2,16(28)25-10-18(19,20)21)27-13-6-8-23-15(26-13)12-9-24-14-11(12)5-4-7-22-14/h4-9H,3,10H2,1-2H3,(H,22,24)(H,25,28)(H,23,26,27)/t17-/m1/s1
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM462293
PNG
(US10766894, Compound TABLE 1.10 | US11203595, TABL...)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1C#N)N1CCC1 |r|
Show InChI InChI=1S/C21H23F3N6O/c22-21(23,24)14-2-4-15(5-3-14)27-20-17(19(26)31)12-30(28-20)18-7-6-16(10-13(18)11-25)29-8-1-9-29/h2-5,12-13,16,18H,1,6-10H2,(H2,26,31)(H,27,28)/t13-,16+,18+/m1/s1
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TBA

Assay Description
The assays were performed in 384-well, low volume microtiter assay plates in a final reaction volume of 9 ul. Dose-response curves were generated by ...

Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2CRN
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM147692
PNG
(US10112907, Example 00025 | US8962608, 28-1)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@H]1CC[C@@H](C[C@@H]1[N+]#[C-])N1CCC1 |r|
Show InChI InChI=1S/C21H23F3N6O/c1-26-17-11-15(29-9-2-10-29)7-8-18(17)30-12-16(19(25)31)20(28-30)27-14-5-3-13(4-6-14)21(22,23)24/h3-6,12,15,17-18H,2,7-11H2,(H2,25,31)(H,27,28)/t15-,17-,18-/m0/s1
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NOVARTIS AG

US Patent


Assay Description
A kinase selectivity panel which measures substrate peptide phosphorylation was set-up for recombinant human Jak1 (aa 866-1154), Jak2 (aa808-1132), J...

US Patent US10112907 (2018)


BindingDB Entry DOI: 10.7270/Q2FX7CHW
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410180
PNG
(US10370375, Example 28)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H23N5O2S/c1-16-23(21,22)10-12-5-7-13(8-6-12)19(2)15-14-4-3-9-20(14)18-11-17-15/h3-4,9,11-13,16H,5-8,10H2,1-2H3/t12-,13?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410154
PNG
(US10370375, Example 2)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]cnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410153
PNG
(US10370375, Example 1)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(C)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410165
PNG
(US10370375, Example 13)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C12H20BrN5O2S/c1-15-21(19,20)7-8-2-4-9(5-3-8)17-11-10(13)6-16-12(14)18-11/h6,8-9,15H,2-5,7H2,1H3,(H3,14,16,17,18)/t8-,9?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410179
PNG
(US10370375, Example 27)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C16H21N5O2S/c1-18-24(22,23)11-12-4-6-14(7-5-12)20-16-13(9-17)10-19-21-8-2-3-15(16)21/h2-3,8,10,12,14,18,20H,4-7,11H2,1H3/t12-,14?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410176
PNG
(US10370375, Example 24)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1c(cnn2cccc12)C#N |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-5.04,1.79,)|
Show InChI InChI=1S/C17H23N5O2S/c1-19-25(23,24)12-13-5-7-15(8-6-13)21(2)17-14(10-18)11-20-22-9-3-4-16(17)22/h3-4,9,11,13,15,19H,5-8,12H2,1-2H3/t13-,15?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410162
PNG
(US10370375, Example 10)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1cc(Cl)nc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-5.04,-2.83,;-2.38,-2.83,;-1.04,-2.06,;.29,-2.83,;-1.04,-.52,)|
Show InChI InChI=1S/C13H22ClN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-7-11(14)17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410161
PNG
(US10370375, Example 9)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H22N4O2S2/c1-16-23(20,21)9-11-3-5-12(6-4-11)19(2)14-13-7-8-22-15(13)18-10-17-14/h7-8,10-12,16H,3-6,9H2,1-2H3/t11-,12?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410160
PNG
(US10370375, Example 8)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ncnc2sccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O2S2/c1-15-22(19,20)8-10-2-4-11(5-3-10)18-13-12-6-7-21-14(12)17-9-16-13/h6-7,9-11,15H,2-5,8H2,1H3,(H,16,17,18)/t10-,11?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410159
PNG
(US10370375, Example 7)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1nc(N)ncc1Br |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C13H22BrN5O2S/c1-16-22(20,21)8-9-3-5-10(6-4-9)19(2)12-11(14)7-17-13(15)18-12/h7,9-10,16H,3-6,8H2,1-2H3,(H2,15,17,18)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410158
PNG
(US10370375, Example 6)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1ncnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C14H20N4O3S/c1-15-22(19,20)9-11-4-6-12(7-5-11)21-14-13-3-2-8-18(13)17-10-16-14/h2-3,8,10-12,15H,4-7,9H2,1H3/t11-,12?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410157
PNG
(US10370375, Example 5)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(Cc3ccccc3)nc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;2.87,-1.29,;3.64,-2.63,;2.87,-3.96,;3.64,-5.29,;5.18,-5.29,;5.95,-3.96,;5.18,-2.63,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410156
PNG
(US10370375, Example 4)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]c(nc12)-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.37,1.79,;-3.71,2.56,;-2.37,.25,;-3.71,-.52,;-3.71,-2.06,;-2.37,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;2.87,-1.29,;3.64,-2.63,;5.18,-2.63,;5.95,-1.29,;5.18,.04,;3.64,.04,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410155
PNG
(US10370375, Example 3)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)N(C)c1ncnc2[nH]nnc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-3.71,2.56,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410167
PNG
(US10370375, Example 15)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ccnn2cccc12 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,)|
Show InChI InChI=1S/C15H22N4O2S/c1-16-22(20,21)11-12-4-6-13(7-5-12)18-14-8-9-17-19-10-2-3-15(14)19/h2-3,8-10,12-13,16,18H,4-7,11H2,1H3/t12-,13?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410163
PNG
(US10370375, Example 11)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1ccnc(N)n1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.29,-2.83,;-1.04,-.52,)|
Show InChI InChI=1S/C12H21N5O2S/c1-14-20(18,19)8-9-2-4-10(5-3-9)16-11-6-7-15-12(13)17-11/h6-7,9-10,14H,2-5,8H2,1H3,(H3,13,15,16,17)/t9-,10?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410175
PNG
(US10370375, Example 23)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,2.56,;-7.71,1.79,;-7.71,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C18H25N5O2S/c1-20-26(24,25)12-13-7-9-15(10-8-13)22-17-16(11-21-18(19)23-17)14-5-3-2-4-6-14/h2-6,11,13,15,20H,7-10,12H2,1H3,(H3,19,21,22,23)/t13-,15?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410164
PNG
(US10370375, Example 12)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Nc1nc(N)ncc1C |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,)|
Show InChI InChI=1S/C13H23N5O2S/c1-9-7-16-13(14)18-12(9)17-11-5-3-10(4-6-11)8-21(19,20)15-2/h7,10-11,15H,3-6,8H2,1-2H3,(H3,14,16,17,18)/t10-,11?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410173
PNG
(US10370375, Example 21)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1nc(N)ncc1-c1ccccc1 |r,wD:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;.29,4.87,;-1.04,4.1,;-1.04,2.56,;.29,1.79,;1.63,2.56,;-2.38,1.79,;-2.38,.25,;-1.04,-.52,;-1.04,-2.06,;.29,-2.83,;-2.38,-2.83,;-3.71,-2.06,;-3.71,-.52,;-5.04,.25,;-5.04,1.79,;-6.38,2.56,;-7.71,1.79,;-7.71,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C18H24N4O3S/c1-20-26(23,24)12-13-7-9-15(10-8-13)25-17-16(11-21-18(19)22-17)14-5-3-2-4-6-14/h2-6,11,13,15,20H,7-10,12H2,1H3,(H2,19,21,22)/t13-,15?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 [888-1187]


(Homo sapiens (Human))		BDBM410172
PNG
(US10370375, Example 20)
Show SMILES CNS(=O)(=O)C[C@H]1CCC(CC1)Oc1c(cnc2sccc12)C#C |r,wU:6.5,(4.29,4.1,;4.29,5.64,;2.96,6.41,;1.63,7.18,;4.29,7.18,;2.96,4.87,;1.63,4.1,;1.63,2.56,;.29,1.79,;-1.04,2.56,;-1.04,4.1,;.29,4.87,;-2.38,1.79,;-2.38,.25,;-3.71,-.52,;-3.71,-2.06,;-2.38,-2.83,;-1.04,-2.06,;.42,-2.54,;1.33,-1.29,;.42,-.05,;-1.04,-.52,;-5.04,.25,;-6.38,-.52,)|
Show InChI InChI=1S/C17H20N2O3S2/c1-3-13-10-19-17-15(8-9-23-17)16(13)22-14-6-4-12(5-7-14)11-24(20,21)18-2/h1,8-10,12,14,18H,4-7,11H2,2H3/t12-,14?
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Elanco Tiergesundheit AG

US Patent


Assay Description
All four kinases of the JAK/TYK-kinase family were used as purified recombinant GST-fusion proteins, containing the active kinase domains. GST-JAK1(8...

US Patent US10370375 (2019)


BindingDB Entry DOI: 10.7270/Q2ZC857B
More data for this
Ligand-Target Pair
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