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Patent code US10208040

Compile Data Set for Download or QSAR
Found 34 hits of Enzyme Inhibition Constant Data   
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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM350090
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C
Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1
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0.0200n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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0.0200n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0300n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM350098
PNG
(US10208040, Example 9-21)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1
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0.0300n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM350096
PNG
(US10208040, Example 1-37)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C33H40FN7O2/c1-6-10-40-19-27-26(18-28(40)32(43)39-11-13-41(14-12-39)33(3,4)5)35-31(36-27)30-22-9-8-21(15-25(22)37-38-30)23-17-24(34)29(42)16-20(23)7-2/h8-9,15-17,28,42H,6-7,10-14,18-19H2,1-5H3/b31-30-/t28-/m0/s1
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0.0400n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(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=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.0500n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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0.0500n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350099
PNG
(US10208040, Example 12-14)
Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
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0.0600n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350095
PNG
(US10208040, Example 1-12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C30H34FN7O2/c1-5-18-13-27(39)22(31)14-21(18)19-6-7-20-23(12-19)34-35-28(20)29-32-24-15-26(36(4)16-25(24)33-29)30(40)38-10-8-37(9-11-38)17(2)3/h6-7,12-14,17,26,39H,5,8-11,15-16H2,1-4H3/b29-28-/t26-/m0/s1
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0.0600n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.0600n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350098
PNG
(US10208040, Example 9-21)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1
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0.0600n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


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

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350097
PNG
(US10208040, Example 2-15)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25+/m0/s1
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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 US10208040 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350089
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H34FN7O2/c1-4-8-38-16-26-25(13-27(38)31(41)39-15-19-11-20(39)14-37(19)3)33-30(34-26)29-21-7-6-18(9-24(21)35-36-29)22-12-23(32)28(40)10-17(22)5-2/h6-7,9-10,12,19-20,27,40H,4-5,8,11,13-16H2,1-3H3/b30-29-/t19-,20-,27-/m0/s1
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0.0800n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350091
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1
PDB

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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)

More data for this
Ligand-Target Pair
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=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
PDB

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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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350096
PNG
(US10208040, Example 1-37)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C33H40FN7O2/c1-6-10-40-19-27-26(18-28(40)32(43)39-11-13-41(14-12-39)33(3,4)5)35-31(36-27)30-22-9-8-21(15-25(22)37-38-30)23-17-24(34)29(42)16-20(23)7-2/h8-9,15-17,28,42H,6-7,10-14,18-19H2,1-5H3/b31-30-/t28-/m0/s1
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0.100n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK1


(Homo sapiens (Human))
BDBM350092
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C
Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/s1
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0.100n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350090
PNG
(((S)-3-(dimethylamino)pyrrolidin-1-yl)((S)-5-ethyl...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CC[C@@H](C1)N(C)C
Show InChI InChI=1S/C31H36FN7O2/c1-6-18-12-28(40)23(32)13-22(18)19-7-8-21-24(11-19)35-36-29(21)30-33-25-14-27(39(17(2)3)16-26(25)34-30)31(41)38-10-9-20(15-38)37(4)5/h7-8,11-13,17,20,27,40H,6,9-10,14-16H2,1-5H3/b30-29-/t20-,27-/m0/s1
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0.100n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(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=1S/C29H32FN7O2/c1-4-17-12-26(38)21(30)13-20(17)18-5-6-19-22(11-18)34-35-27(19)28-32-23-14-24(31-15-25(23)33-28)29(39)37-9-7-36(8-10-37)16(2)3/h5-6,11-13,16,24,31,38H,4,7-10,14-15H2,1-3H3/b28-27-
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0.160n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350093
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CCO)CC1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H36FN7O3/c1-3-7-39-18-26-25(17-27(39)31(42)38-10-8-37(9-11-38)12-13-40)33-30(34-26)29-21-6-5-20(14-24(21)35-36-29)22-16-23(32)28(41)15-19(22)4-2/h5-6,14-16,27,40-41H,3-4,7-13,17-18H2,1-2H3/b30-29-/t27-/m0/s1
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0.160n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350097
PNG
(US10208040, Example 2-15)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@@H](N(C)Cc2[nH]1)C(=O)N1CCN(C)C[C@@H]1C
Show InChI InChI=1S/C29H32FN7O2/c1-5-17-11-26(38)21(30)12-20(17)18-6-7-19-22(10-18)33-34-27(19)28-31-23-13-25(36(4)15-24(23)32-28)29(39)37-9-8-35(3)14-16(37)2/h6-7,10-12,16,25,38H,5,8-9,13-15H2,1-4H3/b28-27-/t16-,25+/m0/s1
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0.160n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350091
PNG
((S)-(2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1
Show InChI InChI=1S/C31H36FN7O2/c1-5-19-14-28(40)23(32)15-22(19)20-7-8-21-24(13-20)35-36-29(21)30-33-25-16-27(39(18(2)3)17-26(25)34-30)31(41)38-10-6-9-37(4)11-12-38/h7-8,13-15,18,27,40H,5-6,9-12,16-17H2,1-4H3/b30-29-/t27-/m0/s1
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0.200n/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)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350099
PNG
(US10208040, Example 12-14)
Show SMILES CCN(CC)CCN(C)C(=O)[C@H]1Cc2nc([nH]c2CN1CC)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C31H38FN7O2/c1-6-19-15-28(40)23(32)16-22(19)20-10-11-21-24(14-20)35-36-29(21)30-33-25-17-27(39(9-4)18-26(25)34-30)31(41)37(5)12-13-38(7-2)8-3/h10-11,14-16,27,40H,6-9,12-13,17-18H2,1-5H3/b30-29-/t27-/m1/s1
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0.200n/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)

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


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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

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


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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350098
PNG
(US10208040, Example 9-21)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350092
PNG
(((S)-2-(6-(2-ethyl-5-fluoro-4-hydroxyphenyl)-1H-in...)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(C)Cc2[nH]1)C(=O)N1CCN(CCO)C[C@H]1C
Show InChI InChI=1S/C30H34FN7O3/c1-4-18-12-27(40)22(31)13-21(18)19-5-6-20-23(11-19)34-35-28(20)29-32-24-14-26(36(3)16-25(24)33-29)30(41)38-8-7-37(9-10-39)15-17(38)2/h5-6,11-13,17,26,39-40H,4,7-10,14-16H2,1-3H3/b29-28-/t17-,26+/m1/s1
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0.25n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

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


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



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent


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


US Patent US10208040 (2019)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM350096
PNG
(US10208040, Example 1-37)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C33H40FN7O2/c1-6-10-40-19-27-26(18-28(40)32(43)39-11-13-41(14-12-39)33(3,4)5)35-31(36-27)30-22-9-8-21(15-25(22)37-38-30)23-17-24(34)29(42)16-20(23)7-2/h8-9,15-17,28,42H,6-7,10-14,18-19H2,1-5H3/b31-30-/t28-/m0/s1
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0.5n/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)

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


(Homo sapiens (Human))
BDBM350098
PNG
(US10208040, Example 9-21)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1CN1CC[C@@H](C1)C(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C32H39FN6O/c1-5-10-39-18-29-28(14-23(39)17-38-11-9-22(16-38)19(3)4)34-32(35-29)31-24-8-7-21(12-27(24)36-37-31)25-15-26(33)30(40)13-20(25)6-2/h7-8,12-13,15,19,22-23,40H,5-6,9-11,14,16-18H2,1-4H3/b32-31-/t22-,23-/m0/s1
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1n/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)

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


(Homo sapiens (Human))
BDBM350096
PNG
(US10208040, Example 1-37)
Show SMILES CCCN1Cc2[nH]c(nc2C[C@H]1C(=O)N1CCN(CC1)C(C)(C)C)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C33H40FN7O2/c1-6-10-40-19-27-26(18-28(40)32(43)39-11-13-41(14-12-39)33(3,4)5)35-31(36-27)30-22-9-8-21(15-25(22)37-38-30)23-17-24(34)29(42)16-20(23)7-2/h8-9,15-17,28,42H,6-7,10-14,18-19H2,1-5H3/b31-30-/t28-/m0/s1
PDB

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1.26n/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)

More data for this
Ligand-Target Pair
* indicates data uncertainty>20%