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Compile Data Set for Download or QSAR

Found 14904 hits Enz. Inhib. hit(s) with Target = 'Tyrosine-protein kinase JAK2'   
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))
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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0.0200n/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 US10196393 (2019)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
More data for this
Ligand-Target Pair
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=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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0.0200n/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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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=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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0.0200n/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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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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0.0300n/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 US10196393 (2019)


Article DOI: 10.1016/j.bmcl.2004.08.034
BindingDB Entry DOI: 10.7270/Q2ST7RZB
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=1/C32H41FN6O/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,(H,34,35)(H,36,37)/t22-,23-/s2
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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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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=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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0.0300n/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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
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=1/C33H42FN7O2/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,(H,35,36)(H,37,38)/t28-/s2
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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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232618
PNG
(US9346815, 164 | US9604984, Example 164)
Show SMILES CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O
Show InChI InChI=1S/C29H33ClF2N10O3/c1-38-14-15-40(29(38)44)10-3-9-39-12-6-19(7-13-39)42-17-21(24(36-42)20-16-18(30)4-5-22(20)45-28(31)32)35-27(43)23-25(33)37-41-11-2-8-34-26(23)41/h2,4-5,8,11,16-17,19,28H,3,6-7,9-10,12-15H2,1H3,(H2,33,37)(H,35,43)
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0.0600 -57.8n/an/an/an/an/a7.222



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
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=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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0.0600n/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)


Article DOI: 10.1021/jm060199b
BindingDB Entry DOI: 10.7270/Q20867FC
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232618
PNG
(US9346815, 164 | US9604984, Example 164)
Show SMILES CN1CCN(CCCN2CCC(CC2)n2cc(NC(=O)c3c(N)nn4cccnc34)c(n2)-c2cc(Cl)ccc2OC(F)F)C1=O
Show InChI InChI=1S/C29H33ClF2N10O3/c1-38-14-15-40(29(38)44)10-3-9-39-12-6-19(7-13-39)42-17-21(24(36-42)20-16-18(30)4-5-22(20)45-28(31)32)35-27(43)23-25(33)37-41-11-2-8-34-26(23)41/h2,4-5,8,11,16-17,19,28H,3,6-7,9-10,12-15H2,1H3,(H2,33,37)(H,35,43)
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0.0600n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9604984 (2017)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232751
PNG
(US9346815, 297 | US9604984, Example 297)
Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+
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0.0700n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9604984 (2017)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232751
PNG
(US9346815, 297 | US9604984, Example 297)
Show SMILES N[C@H]1C[C@H](C1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1/C21H19ClF2N8O2/c22-10-2-3-15(34-21(23)24)13(6-10)17-14(9-32(29-17)12-7-11(25)8-12)28-20(33)16-18(26)30-31-5-1-4-27-19(16)31/h1-6,9,11-12,21H,7-8,25H2,(H2,26,30)(H,28,33)/t11-,12+
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0.0700 -57.4n/an/an/an/an/a7.222



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM366982
PNG
(4,4,4-trifluoro-1-[4-[2- [4-[4-(4-pyridyl)-1,4- di...)
Show SMILES FC(F)(F)CCC(=O)N1CCC(=CC1)c1cccn2nc(Nc3ccc(cc3)C(=O)N3CCCN(CC3)c3ccncc3)nc12
Show InChI InChI=1S/C32H33F3N8O2/c33-32(34,35)13-8-28(44)41-19-11-23(12-20-41)27-3-1-18-43-29(27)38-31(39-43)37-25-6-4-24(5-7-25)30(45)42-17-2-16-40(21-22-42)26-9-14-36-15-10-26/h1,3-7,9-11,14-15,18H,2,8,12-13,16-17,19-22H2,(H,37,39)
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0.0800n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9873709 (2018)

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


(Homo sapiens (Human))
BDBM232628
PNG
(US9346815, 174 | US9604984, Example 174)
Show SMILES CC(C)CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O2/c1-15(2)13-35-10-6-17(7-11-35)37-14-19(22(33-37)18-12-16(27)4-5-20(18)39-26(28)29)32-25(38)21-23(30)34-36-9-3-8-31-24(21)36/h3-5,8-9,12,14-15,17,26H,6-7,10-11,13H2,1-2H3,(H2,30,34)(H,32,38)
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0.0900 -56.8n/an/an/an/an/a7.222



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
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0.0900n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9604984 (2017)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232628
PNG
(US9346815, 174 | US9604984, Example 174)
Show SMILES CC(C)CN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O2/c1-15(2)13-35-10-6-17(7-11-35)37-14-19(22(33-37)18-12-16(27)4-5-20(18)39-26(28)29)32-25(38)21-23(30)34-36-9-3-8-31-24(21)36/h3-5,8-9,12,14-15,17,26H,6-7,10-11,13H2,1-2H3,(H2,30,34)(H,32,38)
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0.0900n/an/an/an/an/an/an/an/a



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9604984 (2017)


Article DOI: 10.1021/jm8005838
BindingDB Entry DOI: 10.7270/Q26D5W25
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM232631
PNG
(US9346815, 177 | US9604984, Example 177)
Show SMILES CS(=O)(=O)CCCN1CCC(CC1)n1cc(NC(=O)c2c(N)nn3cccnc23)c(n1)-c1cc(Cl)ccc1OC(F)F
Show InChI InChI=1S/C26H29ClF2N8O4S/c1-42(39,40)13-3-9-35-11-6-17(7-12-35)37-15-19(22(33-37)18-14-16(27)4-5-20(18)41-26(28)29)32-25(38)21-23(30)34-36-10-2-8-31-24(21)36/h2,4-5,8,10,14-15,17,26H,3,6-7,9,11-13H2,1H3,(H2,30,34)(H,32,38)
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0.0900 -56.8n/an/an/an/an/a7.222



Genentech Inc

US Patent


Assay Description
The activity of the isolated recombinant JAK1 and JAK2 kinase domain was measured by monitoring phosphorylation of a peptide derived from JAK3 (Val-A...


US Patent US9346815 (2016)


BindingDB Entry DOI: 10.7270/Q2NS0SRT
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292115
PNG
(US10100049, Example 12 | US10183942, Example 12)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC(F)CN(C)C)CCc2[nH]1
Show InChI InChI=1/C26H30F2N6O/c1-4-15-10-24(35)20(28)11-19(15)16-5-6-18-22(9-16)31-32-25(18)26-29-21-7-8-34(14-23(21)30-26)13-17(27)12-33(2)3/h5-6,9-11,17,35H,4,7-8,12-14H2,1-3H3,(H,29,30)(H,31,32)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292116
PNG
(US10100049, Example 13 | US10183942, Example 13)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(C[C@H]3COCCN3)CCc2[nH]1
Show InChI InChI=1/C26H29FN6O2/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,(H,29,30)(H,31,32)/t17-/s2
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1/C26H29FN6O2/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,(H,29,30)(H,31,32)/t17-/s2
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292118
PNG
(US10100049, Example 15 | US10183942, Example 15)
Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CCN3CCC[C@@H]3C)CCc2[nH]1
Show InChI InChI=1/C28H33FN6O/c1-3-18-14-26(36)22(29)15-21(18)19-6-7-20-24(13-19)32-33-27(20)28-30-23-8-10-34(16-25(23)31-28)11-12-35-9-4-5-17(35)2/h6-7,13-15,17,36H,3-5,8-12,16H2,1-2H3,(H,30,31)(H,32,33)/t17-/s2
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C27H31FN6O/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,(H,29,30)(H,31,32)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C25H27FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C25H27FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C25H27FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C25H27FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C24H25FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1/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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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1/C28H33FN6O/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,(H,30,31)(H,32,33)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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/C25H29FN6O/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,(H,27,28)(H,29,30)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292112
PNG
(US10100049, Example 9 | US10183942, Example 9-2)
Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM292112
PNG
(US10100049, Example 9 | US10183942, Example 9-2)
Show SMILES CCN(C)CCN1CCc2[nH]c(nc2C1)-c1n[nH]c2cc(ccc12)-c1cc(F)c(O)cc1CC
Show InChI InChI=1S/C26H31FN6O/c1-4-16-13-24(34)20(27)14-19(16)17-6-7-18-22(12-17)30-31-25(18)26-28-21-8-9-33(15-23(21)29-26)11-10-32(3)5-2/h6-7,12-14,34H,4-5,8-11,15H2,1-3H3,(H,28,29)(H,30,31)
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<0.100n/an/an/an/an/an/an/an/a



THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1/C26H29FN6O2/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,(H,29,30)(H,31,32)/t17-/s2
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THERAVANCE BIOPHARMA R&D IP, LLC

US Patent




US Patent US10183942 (2019)


Article DOI: 10.1021/jm900130m
BindingDB Entry DOI: 10.7270/Q2G44SC9
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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=1/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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<0.100n/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 US10485803 (2019)

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


(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=1/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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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 US10485803 (2019)

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


(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=1/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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<0.100n/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 US10485803 (2019)

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


(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=1/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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<0.100n/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 US10485803 (2019)

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


(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=1/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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<0.100n/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 US10485803 (2019)

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


(Homo sapiens (Human))
BDBM279830
PNG
(US10028960, Example 1-13 | US10485803, Example 1-1...)
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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<0.100n/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 US10485803 (2019)

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


(Homo sapiens (Human))
BDBM279831
PNG
(US10028960, Example 1-14 | US10485803, Example 1-1...)
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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<0.100n/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 US10485803 (2019)

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


(Homo sapiens (Human))
BDBM279832
PNG
(US10028960, Example 1-15 | US10485803, Example 1-1...)
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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<0.100n/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 US10485803 (2019)

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


(Homo sapiens (Human))
BDBM279834
PNG
(US10028960, Example 1-17 | US10485803, Example 1-1...)
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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<0.100n/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 US10485803 (2019)

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


(Homo sapiens (Human))
BDBM277454
PNG
(US10072026, Example 1-48)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccncc3)n2)n[nH]1
Show InChI InChI=1/C26H30N8/c1-17-12-25(33-32-17)30-24-15-23-22(6-3-9-28-23)26(31-24)29-19-13-20-4-2-5-21(14-19)34(20)16-18-7-10-27-11-8-18/h3,6-12,15,19-21H,2,4-5,13-14,16H2,1H3,(H3,29,30,31,32,33)/t19-,20-,21+
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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277455
PNG
(US10072026, Example 1-49)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3cccc(O)c3)n2)n[nH]1
Show InChI InChI=1/C27H31N7O/c1-17-11-26(33-32-17)30-25-15-24-23(9-4-10-28-24)27(31-25)29-19-13-20-6-3-7-21(14-19)34(20)16-18-5-2-8-22(35)12-18/h2,4-5,8-12,15,19-21,35H,3,6-7,13-14,16H2,1H3,(H3,29,30,31,32,33)/t19-,20-,21+
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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277456
PNG
(US10072026, Example 1-50)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccc(O)cc3)n2)n[nH]1
Show InChI InChI=1/C27H31N7O/c1-17-12-26(33-32-17)30-25-15-24-23(6-3-11-28-24)27(31-25)29-19-13-20-4-2-5-21(14-19)34(20)16-18-7-9-22(35)10-8-18/h3,6-12,15,19-21,35H,2,4-5,13-14,16H2,1H3,(H3,29,30,31,32,33)/t19-,20-,21+
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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277457
PNG
(US10072026, Example 1-51)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4[C@H]3CCOC3=O)n2)n[nH]1
Show InChI InChI=1/C24H29N7O2/c1-14-10-22(30-29-14)27-21-13-19-18(6-3-8-25-19)23(28-21)26-15-11-16-4-2-5-17(12-15)31(16)20-7-9-33-24(20)32/h3,6,8,10,13,15-17,20H,2,4-5,7,9,11-12H2,1H3,(H3,26,27,28,29,30)/t15-,16-,17+,20-/s2
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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277460
PNG
(US10072026, Example 1-54)
Show SMILES Cc1cc(Nc2cc3ncccc3c(N[C@H]3C[C@@H]4CCC[C@H](C3)N4Cc3ccc(nc3)C#N)n2)n[nH]1
Show InChI InChI=1/C27H29N9/c1-17-10-26(35-34-17)32-25-13-24-23(6-3-9-29-24)27(33-25)31-20-11-21-4-2-5-22(12-20)36(21)16-18-7-8-19(14-28)30-15-18/h3,6-10,13,15,20-22H,2,4-5,11-12,16H2,1H3,(H3,31,32,33,34,35)/t20-,21-,22+
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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
Tyrosine-protein kinase JAK2


(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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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
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM277399
PNG
(N5-((1R,3s,5S)-9-(ethylsulfonyl)-9-azabicyclo[3.3....)
Show SMILES CCS(=O)(=O)N1[C@H]2CCC[C@@H]1C[C@H](C2)Nc1nc(Nc2cc(C)[nH]n2)cc2ncccc12
Show InChI InChI=1/C22H29N7O2S/c1-3-32(30,31)29-16-6-4-7-17(29)12-15(11-16)24-22-18-8-5-9-23-19(18)13-20(26-22)25-21-10-14(2)27-28-21/h5,8-10,13,15-17H,3-4,6-7,11-12H2,1-2H3,(H3,24,25,26,27,28)/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 US10072026 (2018)


Article DOI: 10.1021/jm060293s
BindingDB Entry DOI: 10.7270/Q2G162VM
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2


(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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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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