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Compile Data Set for Download or QSAR

Found 3381 hits Enz. Inhib. hit(s) with Target = 'Non-receptor tyrosine-protein kinase TYK2'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM350094
PNG
(US10208040, 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=1/C29H34FN7O2/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,(H,32,33)(H,34,35)
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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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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
Show InChI InChI=1/C24H29N9O2S/c1-15-8-23(31-30-15)28-22-11-21-20(6-3-7-26-21)24(29-22)27-17-9-18-4-2-5-19(10-17)33(18)36(34,35)32-13-16(12-25)14-32/h3,6-8,11,16-19H,2,4-5,9-10,13-14H2,1H3,(H3,27,28,29,30,31)/t17-,18-,19+
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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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
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=1/C30H36FN7O2/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,(H,32,33)(H,34,35)/t26-/s2
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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)


Article DOI: 10.1021/jm060199b
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=1/C31H36FN7O2/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,(H,33,34)(H,35,36)/t19-,20-,27-/s2
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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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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)

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 -53.8n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

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 -53.8n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

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=1/C30H36FN7O2/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,(H,32,33)(H,34,35)/t26-/s2
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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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
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 TYK2 (unknown origin) by biochemical assay


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

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=1/C31H38FN7O2/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,(H,33,34)(H,35,36)/t20-,27-/s2
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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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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=1/C31H38FN7O2/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,(H,33,34)(H,35,36)/t26-/s2
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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)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
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 -53.1n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

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 TYK2 (unknown origin) by biochemical assay


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

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 -52.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

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)

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=1/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-/s2
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0.5n/an/an/an/an/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inhibition of TYK2 kinase domain using N-terminal 5-carboxyfluorescein-tagged Val-Ala-Leu-Val-Asp-Gly-Tyr-Phe-Arg-Leu-Thr-Thr as substrate after 30 m...


J Med Chem 55: 6176-93 (2012)


Article DOI: 10.1021/jm300628c
BindingDB Entry DOI: 10.7270/Q25Q4X6S
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM50261261
PNG
(CHEMBL4075453)
Show SMILES Clc1cccc(Cl)c1-c1nc2ccnc(Nc3cc(ncn3)N3CCCC3)c2[nH]1
Show InChI InChI=1S/C20H17Cl2N7/c21-12-4-3-5-13(22)17(12)19-26-14-6-7-23-20(18(14)28-19)27-15-10-16(25-11-24-15)29-8-1-2-9-29/h3-7,10-11H,1-2,8-9H2,(H,26,28)(H,23,24,25,27)
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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)

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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US Patent
0.5 -52.6n/an/an/an/an/a7.222



F. Hoffmann-La Roche AG

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))
BDBM277482
PNG
(US10072026, Example 2-18)
Show SMILES CCC(SC)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12
Show InChI InChI=1/C25H33N7OS/c1-4-21(34-3)25(33)32-17-7-5-8-18(32)13-16(12-17)27-24-19-9-6-10-26-20(19)14-22(29-24)28-23-11-15(2)30-31-23/h6,9-11,14,16-18,21H,4-5,7-8,12-13H2,1-3H3,(H3,27,28,29,30,31)/t16-,17-,18+,21?
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277483
PNG
(US10072026, Example 2-19)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C3(CC3)C(=O)C(F)(F)F)n2)n[nH]1
Show InChI InChI=1/C26H28F3N7O2/c1-14-10-21(35-34-14)32-20-13-19-18(6-3-9-30-19)22(33-20)31-15-11-16-4-2-5-17(12-15)36(16)24(38)25(7-8-25)23(37)26(27,28)29/h3,6,9-10,13,15-17H,2,4-5,7-8,11-12H2,1H3,(H3,31,32,33,34,35)/t15-,16-,17+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277486
PNG
(US10072026, Example 2-22)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)C(C)(C)CCO)n2)n[nH]1
Show InChI InChI=1/C26H35N7O2/c1-16-12-23(32-31-16)29-22-15-21-20(8-5-10-27-21)24(30-22)28-17-13-18-6-4-7-19(14-17)33(18)25(35)26(2,3)9-11-34/h5,8,10,12,15,17-19,34H,4,6-7,9,11,13-14H2,1-3H3,(H3,28,29,30,31,32)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277489
PNG
(US10072026, Example 2-25)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccccc3)n2)n[nH]1
Show InChI InChI=1/C27H29N7O/c1-17-13-25(33-32-17)30-24-16-23-22(11-6-12-28-23)26(31-24)29-19-14-20-9-5-10-21(15-19)34(20)27(35)18-7-3-2-4-8-18/h2-4,6-8,11-13,16,19-21H,5,9-10,14-15H2,1H3,(H3,29,30,31,32,33)/t19-,20-,21+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277674
PNG
(US10072026, Example 8-23)
Show SMILES Cc1cc(Nc2nc(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)c3cc(C)cnc3c2F)n[nH]1
Show InChI InChI=1/C25H30FN9O2S/c1-14-6-20-23(28-11-14)22(26)25(30-21-7-15(2)32-33-21)31-24(20)29-17-8-18-4-3-5-19(9-17)35(18)38(36,37)34-12-16(10-27)13-34/h6-7,11,16-19H,3-5,8-9,12-13H2,1-2H3,(H3,29,30,31,32,33)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279829
PNG
(US10028960, Example 1-12)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)CCC#N
Show InChI InChI=1/C21H30N8O4S/c1-28(17-10-15-5-3-6-16(11-17)29(15)34(31,32)8-4-7-22)21-24-18(12-20(25-21)33-2)23-19-9-14(13-30)26-27-19/h9,12,15-17,30H,3-6,8,10-11,13H2,1-2H3,(H2,23,24,25,26,27)/t15-,16+,17-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279830
PNG
(US10028960, Example 1-13)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCCC1
Show InChI InChI=1/C22H34N8O4S/c1-28(22-24-19(13-21(25-22)34-2)23-20-10-15(14-31)26-27-20)18-11-16-6-5-7-17(12-18)30(16)35(32,33)29-8-3-4-9-29/h10,13,16-18,31H,3-9,11-12,14H2,1-2H3,(H2,23,24,25,26,27)/t16-,17+,18-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279831
PNG
(US10028960, Example 1-14)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)C1CC1
Show InChI InChI=1/C21H31N7O4S/c1-27(16-9-14-4-3-5-15(10-16)28(14)33(30,31)17-6-7-17)21-23-18(11-20(24-21)32-2)22-19-8-13(12-29)25-26-19/h8,11,14-17,29H,3-7,9-10,12H2,1-2H3,(H2,22,23,24,25,26)/t14-,15+,16-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279832
PNG
(US10028960, Example 1-15)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1cccnc1
Show InChI InChI=1/C23H30N8O4S/c1-30(23-26-20(12-22(27-23)35-2)25-21-9-15(14-32)28-29-21)18-10-16-5-3-6-17(11-18)31(16)36(33,34)19-7-4-8-24-13-19/h4,7-9,12-13,16-18,32H,3,5-6,10-11,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279833
PNG
(US10028960, Example 1-16)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)c1ccccc1
Show InChI InChI=1/C24H31N7O4S/c1-30(24-26-21(14-23(27-24)35-2)25-22-11-16(15-32)28-29-22)19-12-17-7-6-8-18(13-19)31(17)36(33,34)20-9-4-3-5-10-20/h3-5,9-11,14,17-19,32H,6-8,12-13,15H2,1-2H3,(H2,25,26,27,28,29)/t17-,18+,19-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279834
PNG
(US10028960, Example 1-17)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CCC1
Show InChI InChI=1/C21H32N8O4S/c1-27(21-23-18(12-20(24-21)33-2)22-19-9-14(13-30)25-26-19)17-10-15-5-3-6-16(11-17)29(15)34(31,32)28-7-4-8-28/h9,12,15-17,30H,3-8,10-11,13H2,1-2H3,(H2,22,23,24,25,26)/t15-,16+,17-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279842
PNG
(US10028960, Example 2-6)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2CC1(CC1)C#N
Show InChI InChI=1/C23H32N8O2/c1-30(18-9-16-4-3-5-17(10-18)31(16)14-23(13-24)6-7-23)22-26-19(11-21(27-22)33-2)25-20-8-15(12-32)28-29-20/h8,11,16-18,32H,3-7,9-10,12,14H2,1-2H3,(H2,25,26,27,28,29)/t16-,17+,18-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279847
PNG
(US10028960, Example 3-2)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC(C)C
Show InChI InChI=1/C23H35N7O3/c1-14(2)8-22(32)30-16-6-5-7-17(30)11-18(10-16)29(3)23-25-19(12-21(26-23)33-4)24-20-9-15(13-31)27-28-20/h9,12,14,16-18,31H,5-8,10-11,13H2,1-4H3,(H2,24,25,26,27,28)/t16-,17+,18-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM279849
PNG
(US10028960, Example 3-4)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)N1CCOCC1
Show InChI InChI=1/C23H34N8O4/c1-29(22-25-19(13-21(26-22)34-2)24-20-10-15(14-32)27-28-20)18-11-16-4-3-5-17(12-18)31(16)23(33)30-6-8-35-9-7-30/h10,13,16-18,32H,3-9,11-12,14H2,1-2H3,(H2,24,25,26,27,28)/t16-,17+,18-
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0.550n/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 US10028960 (2018)


Article DOI: 10.1021/jm980398y
BindingDB Entry DOI: 10.7270/Q23N25D9
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277491
PNG
(US10072026, Example 2-27)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)CCCC#N)n2)n[nH]1
Show InChI InChI=1/C25H30N8O/c1-16-12-23(32-31-16)29-22-15-21-20(8-5-11-27-21)25(30-22)28-17-13-18-6-4-7-19(14-17)33(18)24(34)9-2-3-10-26/h5,8,11-12,15,17-19H,2-4,6-7,9,13-14H2,1H3,(H3,28,29,30,31,32)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277492
PNG
(US10072026, Example 2-28)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4C(=O)c3ccc(nc3)C#N)n2)n[nH]1
Show InChI InChI=1/C27H27N9O/c1-16-10-25(35-34-16)32-24-13-23-22(6-3-9-29-23)26(33-24)31-19-11-20-4-2-5-21(12-19)36(20)27(37)17-7-8-18(14-28)30-15-17/h3,6-10,13,15,19-21H,2,4-5,11-12H2,1H3,(H3,31,32,33,34,35)/t19-,20-,21+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277493
PNG
(US10072026, Example 2-29)
Show SMILES CC(CC#N)C(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12
Show InChI InChI=1/C25H30N8O/c1-15(8-9-26)25(34)33-18-5-3-6-19(33)13-17(12-18)28-24-20-7-4-10-27-21(20)14-22(30-24)29-23-11-16(2)31-32-23/h4,7,10-11,14-15,17-19H,3,5-6,8,12-13H2,1-2H3,(H3,28,29,30,31,32)/t15?,17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277577
PNG
(US10072026, Example 5-39)
Show SMILES CN1CCN(Cc2ccc3c(N[C@H]4C[C@@H]5CC[C@H](C4)N5S(=O)(=O)N4CCC4)nc(Nc4cc(C)[nH]n4)cc3n2)CC1
Show InChI InChI=1/C28H40N10O2S/c1-19-14-27(34-33-19)31-26-17-25-24(7-4-20(29-25)18-36-12-10-35(2)11-13-36)28(32-26)30-21-15-22-5-6-23(16-21)38(22)41(39,40)37-8-3-9-37/h4,7,14,17,21-23H,3,5-6,8-13,15-16,18H2,1-2H3,(H3,30,31,32,33,34)/t21-,22-,23+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277579
PNG
(US10072026, Example 5-41)
Show SMILES Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCF)n2)n[nH]1
Show InChI InChI=1/C23H30FN7O2S/c1-14-9-22(30-29-14)27-21-12-20-19(6-3-15(25-20)13-34(2,32)33)23(28-21)26-16-10-17-4-5-18(11-16)31(17)8-7-24/h3,6,9,12,16-18H,4-5,7-8,10-11,13H2,1-2H3,(H3,26,27,28,29,30)/t16-,17-,18+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277581
PNG
(US10072026, Example 5-43)
Show SMILES Cc1cc(Nc2cc3nc(CS(C)(=O)=O)ccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)n[nH]1
Show InChI InChI=1/C24H30F3N7O2S/c1-14-9-22(33-32-14)30-21-12-20-19(6-3-15(28-20)13-37(2,35)36)23(31-21)29-16-10-17-4-5-18(11-16)34(17)8-7-24(25,26)27/h3,6,9,12,16-18H,4-5,7-8,10-11,13H2,1-2H3,(H3,29,30,31,32,33)/t16-,17-,18+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277582
PNG
(US10072026, Example 6-1)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1
Show InChI InChI=1/C23H28N8/c1-14-8-19-20(25-13-14)12-21(27-22-9-15(2)29-30-22)28-23(19)26-16-10-17-4-5-18(11-16)31(17)7-3-6-24/h8-9,12-13,16-18H,3-5,7,10-11H2,1-2H3,(H3,26,27,28,29,30)/t16-,17-,18+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277585
PNG
(US10072026, Example 6-4)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1
Show InChI InChI=1/C24H29N9O2S/c1-14-5-20-21(26-11-14)9-22(28-23-6-15(2)30-31-23)29-24(20)27-17-7-18-3-4-19(8-17)33(18)36(34,35)32-12-16(10-25)13-32/h5-6,9,11,16-19H,3-4,7-8,12-13H2,1-2H3,(H3,27,28,29,30,31)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277586
PNG
(US10072026, Example 6-5)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4S(C)(=O)=O)n2)n[nH]1
Show InChI InChI=1/C21H27N7O2S/c1-12-6-17-18(22-11-12)10-19(24-20-7-13(2)26-27-20)25-21(17)23-14-8-15-4-5-16(9-14)28(15)31(3,29)30/h6-7,10-11,14-16H,4-5,8-9H2,1-3H3,(H3,23,24,25,26,27)/t14-,15-,16+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277587
PNG
(US10072026, Example 6-6)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4CCC#N)n2)n[nH]1
Show InChI InChI=1/C24H30N8/c1-15-9-20-21(26-14-15)13-22(28-23-10-16(2)30-31-23)29-24(20)27-17-11-18-5-3-6-19(12-17)32(18)8-4-7-25/h9-10,13-14,17-19H,3-6,8,11-12H2,1-2H3,(H3,27,28,29,30,31)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277395
PNG
(N5-((1R,3s,5S)-8-((2-methoxyethyl)sulfonyl)-8-azab...)
Show SMILES COCCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12
Show InChI InChI=1/C22H29N7O3S/c1-14-10-21(28-27-14)25-20-13-19-18(4-3-7-23-19)22(26-20)24-15-11-16-5-6-17(12-15)29(16)33(30,31)9-8-32-2/h3-4,7,10,13,15-17H,5-6,8-9,11-12H2,1-2H3,(H3,24,25,26,27,28)/t15-,16-,17+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277590
PNG
(US10072026, Example 6-9)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)N3CC(C3)C#N)n2)n[nH]1
Show InChI InChI=1/C25H31N9O2S/c1-15-6-21-22(27-12-15)10-23(29-24-7-16(2)31-32-24)30-25(21)28-18-8-19-4-3-5-20(9-18)34(19)37(35,36)33-13-17(11-26)14-33/h6-7,10,12,17-20H,3-5,8-9,13-14H2,1-2H3,(H3,28,29,30,31,32)/t18-,19-,20+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277591
PNG
(US10072026, Example 6-10)
Show SMILES Cc1cc(Nc2cc3ncc(C)cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1
Show InChI InChI=1/C27H32N8/c1-17-10-23-24(29-15-17)14-25(31-26-11-18(2)33-34-26)32-27(23)30-20-12-21-4-3-5-22(13-20)35(21)16-19-6-8-28-9-7-19/h6-11,14-15,20-22H,3-5,12-13,16H2,1-2H3,(H3,30,31,32,33,34)/t20-,21-,22+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277592
PNG
(US10072026, Example 6-11)
Show SMILES COc1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1
Show InChI InChI=1/C23H28N8O/c1-14-8-22(30-29-14)27-21-12-20-19(11-18(32-2)13-25-20)23(28-21)26-15-9-16-4-5-17(10-15)31(16)7-3-6-24/h8,11-13,15-17H,3-5,7,9-10H2,1-2H3,(H3,26,27,28,29,30)/t15-,16-,17+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277390
PNG
(3-((1R,3s,5S)-3-((7-((5-methyl-1H-pyrazol-3-yl)ami...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)n[nH]1
Show InChI InChI=1/C22H26N8/c1-14-10-21(29-28-14)26-20-13-19-18(4-2-8-24-19)22(27-20)25-15-11-16-5-6-17(12-15)30(16)9-3-7-23/h2,4,8,10,13,15-17H,3,5-6,9,11-12H2,1H3,(H3,25,26,27,28,29)/t15-,16-,17+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277396
PNG
(N5-((1R,3s,5S)-8-(ethylsulfonyl)-8-azabicyclo[3.2....)
Show SMILES CCS(=O)(=O)N1[C@H]2CC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12
Show InChI InChI=1/C21H27N7O2S/c1-3-31(29,30)28-15-6-7-16(28)11-14(10-15)23-21-17-5-4-8-22-18(17)12-19(25-21)24-20-9-13(2)26-27-20/h4-5,8-9,12,14-16H,3,6-7,10-11H2,1-2H3,(H3,23,24,25,26,27)/t14-,15-,16+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277397
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-N5-((1R,3s,5S)-9-(py...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3cccnc3)n2)n[nH]1
Show InChI InChI=1/C25H28N8O2S/c1-16-11-24(32-31-16)29-23-14-22-21(8-4-10-27-22)25(30-23)28-17-12-18-5-2-6-19(13-17)33(18)36(34,35)20-7-3-9-26-15-20/h3-4,7-11,14-15,17-19H,2,5-6,12-13H2,1H3,(H3,28,29,30,31,32)/t17-,18-,19+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
BDBM277398
PNG
(N7-(5-methyl-1H-pyrazol-3-yl)-N5-((1R,3s,5S)-9-(ph...)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4S(=O)(=O)c3ccccc3)n2)n[nH]1
Show InChI InChI=1/C26H29N7O2S/c1-17-13-25(32-31-17)29-24-16-23-22(11-6-12-27-23)26(30-24)28-18-14-19-7-5-8-20(15-18)33(19)36(34,35)21-9-3-2-4-10-21/h2-4,6,9-13,16,18-20H,5,7-8,14-15H2,1H3,(H3,28,29,30,31,32)/t18-,19-,20+
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0.550n/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)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
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