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Compile Data Set for Download or QSAR

Found 682 hits of ki for UniProtKB: P29597   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Non-receptor tyrosine-protein kinase TYK2


(Homo sapiens (Human))
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=1S/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)

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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US Patent
0.300 -12.9n/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))
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 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=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)

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)

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 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))
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 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))
BDBM50355501
PNG
(INCB-018424 | RUXOLITINIB | RUXOLITINIB PHOSPHATE ...)
Show SMILES N#CC[C@H](C1CCCC1)n1cc(cn1)-c1ncnc2[nH]ccc12
Show InChI InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m1/s1
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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))
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 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))
BDBM292110
PNG
(US10100049, Example 7 | US10183942, Example 7-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN(C)C)CCc2[nH]1
Show InChI InChI=1S/C25H27FN6O/c1-4-15-12-23(33)19(26)13-18(15)16-5-6-17-21(11-16)29-30-24(17)25-27-20-7-8-32(10-9-31(2)3)14-22(20)28-25/h5-6,11-13,33H,4,7-10,14H2,1-3H3/b25-24+
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0.550n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM277613
PNG
(US10072026, Example 6-32 | US10072026, Example 6-4...)
Show SMILES COC(=O)c1cnc2cc(Nc3cc(C)[nH]n3)nc(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)c2c1
Show InChI InChI=1S/C24H28N8O2/c1-14-8-22(31-30-14)28-21-12-20-19(9-15(13-26-20)24(33)34-2)23(29-21)27-16-10-17-4-5-18(11-16)32(17)7-3-6-25/h8-9,12-13,16-18H,3-5,7,10-11H2,1-2H3,(H3,27,28,29,30,31)/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)

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


(Homo sapiens (Human))
BDBM277631
PNG
(US10072026, Example 6-50)
Show SMILES Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC#N)n2)S(C)(=O)=O)n[nH]1
Show InChI InChI=1S/C23H28N8O2S/c1-14-8-22(30-29-14)27-21-12-20-19(11-18(13-25-20)34(2,32)33)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)

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


(Homo sapiens (Human))
BDBM277637
PNG
(US10072026, Example 6-56)
Show SMILES Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4CCC(F)(F)F)n2)S(C)(=O)=O)n[nH]1
Show InChI InChI=1S/C23H28F3N7O2S/c1-13-7-21(32-31-13)29-20-11-19-18(10-17(12-27-19)36(2,34)35)22(30-20)28-14-8-15-3-4-16(9-14)33(15)6-5-23(24,25)26/h7,10-12,14-16H,3-6,8-9H2,1-2H3,(H3,28,29,30,31,32)/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)

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


(Homo sapiens (Human))
BDBM277640
PNG
(US10072026, Example 6-59)
Show SMILES Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1
Show InChI InChI=1S/C26H30N8O2S/c1-16-9-25(33-32-16)30-24-13-23-22(12-21(14-28-23)37(2,35)36)26(31-24)29-18-10-19-3-4-20(11-18)34(19)15-17-5-7-27-8-6-17/h5-9,12-14,18-20H,3-4,10-11,15H2,1-2H3,(H3,29,30,31,32,33)/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)

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


(Homo sapiens (Human))
BDBM277641
PNG
(US10072026, Example 6-60)
Show SMILES Cc1cc(Nc2cc3ncc(cc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)S(C)(=O)=O)n[nH]1
Show InChI InChI=1S/C27H32N8O2S/c1-17-10-26(34-33-17)31-25-14-24-23(13-22(15-29-24)38(2,36)37)27(32-25)30-19-11-20-4-3-5-21(12-19)35(20)16-18-6-8-28-9-7-18/h6-10,13-15,19-21H,3-5,11-12,16H2,1-2H3,(H3,30,31,32,33,34)/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)

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


(Homo sapiens (Human))
BDBM279809
PNG
(1-(((1R,3s,5S)-3-((4-((5-(Hydroxymethyl)-1H-pyrazo...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CC[C@H](C1)N2S(=O)(=O)N1CC(C1)C#N
Show InChI InChI=1S/C21H29N9O4S/c1-28(21-24-18(8-20(25-21)34-2)23-19-5-14(12-31)26-27-19)17-6-15-3-4-16(7-17)30(15)35(32,33)29-10-13(9-22)11-29/h5,8,13,15-17,31H,3-4,6-7,10-12H2,1-2H3,(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)

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


(Homo sapiens (Human))
BDBM279810
PNG
(1-(((1R,3s,5S)-3-((4-((5-(Hydroxymethyl)-1H-pyrazo...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(=O)(=O)N1CC(C1)C#N
Show InChI InChI=1S/C22H31N9O4S/c1-29(22-25-19(9-21(26-22)35-2)24-20-6-15(13-32)27-28-20)18-7-16-4-3-5-17(8-18)31(16)36(33,34)30-11-14(10-23)12-30/h6,9,14,16-18,32H,3-5,7-8,11-13H2,1-2H3,(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)

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


(Homo sapiens (Human))
BDBM279811
PNG
((3-((6-methoxy-2-(methyl((1R,3s,5S)-9-(methylsulfo...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2S(C)(=O)=O
Show InChI InChI=1S/C19H29N7O4S/c1-25(15-8-13-5-4-6-14(9-15)26(13)31(3,28)29)19-21-16(10-18(22-19)30-2)20-17-7-12(11-27)23-24-17/h7,10,13-15,27H,4-6,8-9,11H2,1-3H3,(H2,20,21,22,23,24)/t13-,14+,15-
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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)

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


(Homo sapiens (Human))
BDBM279812
PNG
((3-((6-methoxy-2-(((1R,3s,5S)-9-((2-methoxyethyl)s...)
Show SMILES COCCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)N(C)c1nc(Nc2cc(CO)[nH]n2)cc(OC)n1
Show InChI InChI=1S/C21H33N7O5S/c1-27(17-10-15-5-4-6-16(11-17)28(15)34(30,31)8-7-32-2)21-23-18(12-20(24-21)33-3)22-19-9-14(13-29)25-26-19/h9,12,15-17,29H,4-8,10-11,13H2,1-3H3,(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)

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


(Homo sapiens (Human))
BDBM279815
PNG
(5-(((1R,3s,5S)-3-((4-((5-(hydroxymethyl)-1H-pyrazo...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2Cc1cncc(c1)C#N
Show InChI InChI=1S/C25H31N9O2/c1-33(25-29-22(10-24(30-25)36-2)28-23-7-18(15-35)31-32-23)21-8-19-4-3-5-20(9-21)34(19)14-17-6-16(11-26)12-27-13-17/h6-7,10,12-13,19-21,35H,3-5,8-9,14-15H2,1-2H3,(H2,28,29,30,31,32)/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 US10028960 (2018)

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


(Homo sapiens (Human))
BDBM279816
PNG
(Isobutyl (1R,3s,5S)-3-((4-((5-(hydroxymethyl)-1H-p...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)OCC(C)C
Show InChI InChI=1S/C23H35N7O4/c1-14(2)13-34-23(32)30-16-6-5-7-17(30)10-18(9-16)29(3)22-25-19(11-21(26-22)33-4)24-20-8-15(12-31)27-28-20/h8,11,14,16-18,31H,5-7,9-10,12-13H2,1-4H3,(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)

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


(Homo sapiens (Human))
BDBM279817
PNG
(2,2-difluoro-1-((1R,3s,5S)-3-((4-((5-(hydroxymethy...)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)C1C[C@@H]2CCC[C@H](C1)N2C(=O)C(F)F
Show InChI InChI=1S/C20H27F2N7O3/c1-28(14-7-12-4-3-5-13(8-14)29(12)19(31)18(21)22)20-24-15(9-17(25-20)32-2)23-16-6-11(10-30)26-27-16/h6,9,12-14,18,30H,3-5,7-8,10H2,1-2H3,(H2,23,24,25,26,27)/t12-,13+,14?
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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)

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=1S/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)

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=1S/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)

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=1S/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)

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=1S/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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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)

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=1S/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)

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=1S/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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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)

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=1S/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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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)

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=1S/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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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)

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=1S/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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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)

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


(Homo sapiens (Human))
BDBM279850
PNG
(US10028960, Example 3-5)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)CC1CC1
Show InChI InChI=1S/C23H33N7O3/c1-29(18-10-16-4-3-5-17(11-18)30(16)22(32)8-14-6-7-14)23-25-19(12-21(26-23)33-2)24-20-9-15(13-31)27-28-20/h9,12,14,16-18,31H,3-8,10-11,13H2,1-2H3,(H2,24,25,26,27,28)/t16-,17+,18-
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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)

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


(Homo sapiens (Human))
BDBM279852
PNG
(US10028960, Example 3-7)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCCC1
Show InChI InChI=1S/C24H35N7O3/c1-30(24-26-20(13-22(27-24)34-2)25-21-10-16(14-32)28-29-21)19-11-17-8-5-9-18(12-19)31(17)23(33)15-6-3-4-7-15/h10,13,15,17-19,32H,3-9,11-12,14H2,1-2H3,(H2,25,26,27,28,29)/t17-,18+,19-
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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)

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


(Homo sapiens (Human))
BDBM279853
PNG
(US10028960, Example 3-8)
Show SMILES COc1cc(Nc2cc(CO)[nH]n2)nc(n1)N(C)[C@H]1C[C@@H]2CCC[C@H](C1)N2C(=O)C1CCC1
Show InChI InChI=1S/C23H33N7O3/c1-29(18-10-16-7-4-8-17(11-18)30(16)22(32)14-5-3-6-14)23-25-19(12-21(26-23)33-2)24-20-9-15(13-31)27-28-20/h9,12,14,16-18,31H,3-8,10-11,13H2,1-2H3,(H2,24,25,26,27,28)/t16-,17+,18-
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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)

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


(Homo sapiens (Human))
BDBM292117
PNG
(US10100049, Example 14 | US10183942, Example 14-7)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3COCCN3)CCc2[nH]1
Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m1/s1
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10100049 (2018)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3 |...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10100049 (2018)

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


(Homo sapiens (Human))
BDBM292124
PNG
(US10100049, Example 2-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCNCC1
Show InChI InChI=1S/C26H27FN6O/c1-2-15-12-24(34)20(27)13-19(15)16-3-4-18-22(11-16)31-32-25(18)26-29-21-7-10-33(14-23(21)30-26)17-5-8-28-9-6-17/h3-4,11-13,17,28,34H,2,5-10,14H2,1H3/b26-25+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10100049 (2018)

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


(Homo sapiens (Human))
BDBM292125
PNG
(US10100049, Example 3-30)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1
Show InChI InChI=1S/C28H31FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3/b28-27+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10100049 (2018)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3 |...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10100049 (2018)

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


(Homo sapiens (Human))
BDBM292104
PNG
(US10100049, Example 1 | US10183942, Example 1-8)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CN(C)C1
Show InChI InChI=1S/C25H25FN6O/c1-3-14-9-23(33)19(26)10-18(14)15-4-5-17-21(8-15)29-30-24(17)25-27-20-6-7-32(13-22(20)28-25)16-11-31(2)12-16/h4-5,8-10,16,33H,3,6-7,11-13H2,1-2H3/b25-24+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292105
PNG
(US10100049, Example 2 | US10183942, Example 2-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1
Show InChI InChI=1S/C24H23FN6O/c1-2-13-8-22(32)18(25)9-17(13)14-3-4-16-20(7-14)29-30-23(16)24-27-19-5-6-31(12-21(19)28-24)15-10-26-11-15/h3-4,7-9,15,26,32H,2,5-6,10-12H2,1H3/b24-23+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM322632
PNG
(US10183942, Example 3 | US10183942, Example 3-30)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)C1=NC2CN(CCC2N1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292107
PNG
(US10100049, Example 4 | US10183942, Example 4-2)
Show SMILES CCC(C)N1CC(C1)N1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C28H31FN6O/c1-4-16(3)35-13-19(14-35)34-9-8-23-25(15-34)31-28(30-23)27-20-7-6-18(10-24(20)32-33-27)21-12-22(29)26(36)11-17(21)5-2/h6-7,10-12,16,19,36H,4-5,8-9,13-15H2,1-3H3/b28-27+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292109
PNG
(US10100049, Example 6 | US10183942, Example 6)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CCN(C)CC1
Show InChI InChI=1S/C27H29FN6O/c1-3-16-13-25(35)21(28)14-20(16)17-4-5-19-23(12-17)31-32-26(19)27-29-22-8-11-34(15-24(22)30-27)18-6-9-33(2)10-7-18/h4-5,12-14,18,35H,3,6-11,15H2,1-2H3/b27-26+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292111
PNG
(US10100049, Example 8 | US10183942, Example 8)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCNC3CC(C3)OC)CCc2[nH]1
Show InChI InChI=1S/C28H31FN6O2/c1-3-16-11-26(36)22(29)14-21(16)17-4-5-20-24(10-17)33-34-27(20)28-31-23-6-8-35(15-25(23)32-28)9-7-30-18-12-19(13-18)37-2/h4-5,10-11,14,18-19,30,36H,3,6-9,12-13,15H2,1-2H3/b28-27+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292113
PNG
(US10100049, Example 10 | US10183942, Example 10)
Show SMILES CCC(C)N(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C28H33FN6O/c1-5-17(3)34(4)11-12-35-10-9-23-25(16-35)31-28(30-23)27-20-8-7-19(13-24(20)32-33-27)21-15-22(29)26(36)14-18(21)6-2/h7-8,13-15,17,36H,5-6,9-12,16H2,1-4H3/b28-27+
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292117
PNG
(US10100049, Example 14 | US10183942, Example 14-7)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@@H]3COCCN3)CCc2[nH]1
Show InChI InChI=1S/C26H27FN6O2/c1-2-15-10-24(34)20(27)11-19(15)16-3-4-18-22(9-16)31-32-25(18)26-29-21-5-7-33(13-23(21)30-26)12-17-14-35-8-6-28-17/h3-4,9-11,17,28,34H,2,5-8,12-14H2,1H3/b26-25+/t17-/m1/s1
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US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292119
PNG
(US10100049, Example 16 | US10100049, Example 7-3 |...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCCC3)CCc2[nH]1
Show InChI InChI=1S/C27H29FN6O/c1-2-17-14-25(35)21(28)15-20(17)18-5-6-19-23(13-18)31-32-26(19)27-29-22-7-10-34(16-24(22)30-27)12-11-33-8-3-4-9-33/h5-6,13-15,35H,2-4,7-12,16H2,1H3/b27-26+
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THERAVANCE BIOPHARMA R&D IP, LLC

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US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM292105
PNG
(US10100049, Example 2 | US10183942, Example 2-3)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCc2[nH]1)C1CNC1
Show InChI InChI=1S/C24H23FN6O/c1-2-13-8-22(32)18(25)9-17(13)14-3-4-16-20(7-14)29-30-23(16)24-27-19-5-6-31(12-21(19)28-24)15-10-26-11-15/h3-4,7-9,15,26,32H,2,5-6,10-12H2,1H3/b24-23+
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THERAVANCE BIOPHARMA R&D IP, LLC

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US Patent US10183942 (2019)

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


(Homo sapiens (Human))
BDBM322632
PNG
(US10183942, Example 3 | US10183942, Example 3-30)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)C1=NC2CN(CCC2N1)C1CN(C1)C(C)C
Show InChI InChI=1S/C27H33FN6O/c1-4-16-10-25(35)21(28)11-20(16)17-5-6-19-23(9-17)31-32-26(19)27-29-22-7-8-33(14-24(22)30-27)18-12-34(13-18)15(2)3/h5-6,9-11,15,18,22,24,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
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US Patent US10183942 (2019)

More data for this
Ligand-Target Pair
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