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Patent code US9725445

Compile Data Set for Download or QSAR

Found 668 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 JAK1


(Homo sapiens (Human))
BDBM330868
PNG
(US9725445, 3-49)
Show SMILES CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C21H22N6O3S/c1-26-12-14-10-15(6-7-18(14)31(26,29)30)24-20-19-17(8-9-23-21(19)28)27(25-20)16-5-3-2-4-13(16)11-22/h6-10,13,16H,2-5,12H2,1H3,(H,23,28)(H,24,25)/t13-,16+/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330872
PNG
(US9725445, 3-53)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O3S/c1-24(2,3)29-14-16-12-17(8-9-20(16)34(29,32)33)27-22-21-19(10-11-26-23(21)31)30(28-22)18-7-5-4-6-15(18)13-25/h8-12,15,18H,4-7,14H2,1-3H3,(H,26,31)(H,27,28)/t15-,18+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330970
PNG
(US9725445, 3-151)
Show SMILES CC(C)(C)OC(=O)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C26H30N6O5S/c1-26(2,3)37-22(33)15-31-14-17-12-18(8-9-21(17)38(31,35)36)29-24-23-20(10-11-28-25(23)34)32(30-24)19-7-5-4-6-16(19)13-27/h8-12,16,19H,4-7,14-15H2,1-3H3,(H,28,34)(H,29,30)/t16-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330919
PNG
(US9725445, 3-100)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C23H26N6O3S/c1-23(2,3)28-13-15-11-16(7-8-19(15)33(28,31)32)26-21-20-18(9-10-25-22(20)30)29(27-21)17-6-4-5-14(17)12-24/h7-11,14,17H,4-6,13H2,1-3H3,(H,25,30)(H,26,27)/t14-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330879
PNG
(US9725445, 3-60)
Show SMILES CCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C22H24N6O3S/c1-2-27-13-15-11-16(7-8-19(15)32(27,30)31)25-21-20-18(9-10-24-22(20)29)28(26-21)17-6-4-3-5-14(17)12-23/h7-11,14,17H,2-6,13H2,1H3,(H,24,29)(H,25,26)/t14-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330996
PNG
(US9725445, 3-177)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C25H30N6O3S/c1-25(2,3)30-15-17-13-18(9-10-21(17)35(30,33)34)28-23-22-20(11-12-27-24(22)32)31(29-23)19-8-6-4-5-7-16(19)14-26/h9-13,16,19H,4-8,15H2,1-3H3,(H,27,32)(H,28,29)/t16-,19+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330979
PNG
(US9725445, 3-160)
Show SMILES COCC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-25(2,15-35-3)30-14-17-12-18(8-9-21(17)36(30,33)34)28-23-22-20(10-11-27-24(22)32)31(29-23)19-7-5-4-6-16(19)13-26/h8-12,16,19H,4-7,14-15H2,1-3H3,(H,27,32)(H,28,29)/t16-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330877
PNG
(US9725445, 3-58)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C22H21F3N6O3S/c23-22(24,25)12-30-11-14-9-15(5-6-18(14)35(30,33)34)28-20-19-17(7-8-27-21(19)32)31(29-20)16-4-2-1-3-13(16)10-26/h5-9,13,16H,1-4,11-12H2,(H,27,32)(H,28,29)/t13-,16+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330873
PNG
(US9725445, 3-54)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CNS4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C20H20N6O3S/c21-10-12-3-1-2-4-15(12)26-16-7-8-22-20(27)18(16)19(25-26)24-14-5-6-17-13(9-14)11-23-30(17,28)29/h5-9,12,15,23H,1-4,11H2,(H,22,27)(H,24,25)/t12-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330921
PNG
(US9725445, 3-102)
Show SMILES CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C20H20N6O3S/c1-25-11-13-9-14(5-6-17(13)30(25,28)29)23-19-18-16(7-8-22-20(18)27)26(24-19)15-4-2-3-12(15)10-21/h5-9,12,15H,2-4,11H2,1H3,(H,22,27)(H,23,24)/t12-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331107
PNG
(US9725445, 15-52)
Show SMILES O=C1N(Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCC1
Show InChI InChI=1S/C27H30N6O2/c28-15-17-6-2-1-3-9-22(17)33-23-12-13-29-26(34)24(23)25(31-33)30-19-10-11-21-18(14-19)16-32(27(21)35)20-7-4-5-8-20/h10-14,17,20,22H,1-9,16H2,(H,29,34)(H,30,31)/t17-,22+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330900
PNG
(US9725445, 3-81)
Show SMILES CC(C)(CCO)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C25H30N6O4S/c1-25(2,10-12-32)30-15-17-13-18(7-8-21(17)36(30,34)35)28-23-22-20(9-11-27-24(22)33)31(29-23)19-6-4-3-5-16(19)14-26/h7-9,11,13,16,19,32H,3-6,10,12,15H2,1-2H3,(H,27,33)(H,28,29)/t16-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331141
PNG
(US9725445, 21-1)
Show SMILES CC1(C)Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C23H25N5O3S/c1-23(2)12-15-11-16(7-8-19(15)32(23,30)31)26-21-20-18(9-10-25-22(20)29)28(27-21)17-6-4-3-5-14(17)13-24/h7-11,14,17H,3-6,12H2,1-2H3,(H,25,29)(H,26,27)/t14-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330973
PNG
(US9725445, 3-154)
Show SMILES O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCC1
Show InChI InChI=1S/C26H28N6O2/c27-14-16-5-1-4-8-21(16)32-22-11-12-28-25(33)23(22)24(30-32)29-18-9-10-20-17(13-18)15-31(26(20)34)19-6-2-3-7-19/h9-13,16,19,21H,1-8,15H2,(H,28,33)(H,29,30)/t16-,21+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330920
PNG
(US9725445, 3-101)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C21H19F3N6O3S/c22-21(23,24)11-29-10-13-8-14(4-5-17(13)34(29,32)33)27-19-18-16(6-7-26-20(18)31)30(28-19)15-3-1-2-12(15)9-25/h4-8,12,15H,1-3,10-11H2,(H,26,31)(H,27,28)/t12-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330972
PNG
(US9725445, 3-153)
Show SMILES CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C24H26N6O2/c1-14(2)29-13-16-11-17(7-8-18(16)24(29)32)27-22-21-20(9-10-26-23(21)31)30(28-22)19-6-4-3-5-15(19)12-25/h7-11,14-15,19H,3-6,13H2,1-2H3,(H,26,31)(H,27,28)/t15-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331099
PNG
(US9725445, 15-44)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C25H28N6O4S/c26-14-16-3-1-2-4-20(16)31-21-7-10-27-25(32)23(21)24(29-31)28-18-5-6-22-17(13-18)15-30(36(22,33)34)19-8-11-35-12-9-19/h5-7,10,13,16,19-20H,1-4,8-9,11-12,15H2,(H,27,32)(H,28,29)/t16-,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330978
PNG
(US9725445, 3-159)
Show SMILES COCC(C)(C)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C26H32N6O4S/c1-26(2,16-36-3)15-31-14-18-12-19(8-9-22(18)37(31,34)35)29-24-23-21(10-11-28-25(23)33)32(30-24)20-7-5-4-6-17(20)13-27/h8-12,17,20H,4-7,14-16H2,1-3H3,(H,28,33)(H,29,30)/t17-,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331133
PNG
(US9725445, 16-3)
Show SMILES OC(=O)[C@H]1CC[C@@H](CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H30N6O5S/c28-14-17-3-1-2-4-21(17)33-22-11-12-29-26(34)24(22)25(31-33)30-19-7-10-23-18(13-19)15-32(39(23,37)38)20-8-5-16(6-9-20)27(35)36/h7,10-13,16-17,20-21H,1-6,8-9,15H2,(H,29,34)(H,30,31)(H,35,36)/t16-,17-,20-,21+/m1/s1
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n/an/a 59n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331092
PNG
(US9725445, 15-37 | US9725445, 15-38)
Show SMILES CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C)n1ccnn1
Show InChI InChI=1S/C26H30N8O/c1-16(2)24(33-13-12-29-32-33)20-9-8-19(14-17(20)3)30-25-23-22(10-11-28-26(23)35)34(31-25)21-7-5-4-6-18(21)15-27/h8-14,16,18,21,24H,4-7H2,1-3H3,(H,28,35)(H,30,31)/t18-,21+,24?/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331118
PNG
(US9725445, 15-63)
Show SMILES CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C27H30N6O3/c1-27(9-12-36-13-10-27)32-16-18-14-19(6-7-20(18)26(32)35)30-24-23-22(8-11-29-25(23)34)33(31-24)21-5-3-2-4-17(21)15-28/h6-8,11,14,17,21H,2-5,9-10,12-13,16H2,1H3,(H,29,34)(H,30,31)/t17-,21+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330878
PNG
(US9725445, 3-59)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CCS4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C21H21N5O3S/c22-12-14-3-1-2-4-16(14)26-17-7-9-23-21(27)19(17)20(25-26)24-15-5-6-18-13(11-15)8-10-30(18,28)29/h5-7,9,11,14,16H,1-4,8,10H2,(H,23,27)(H,24,25)/t14-,16+/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331069
PNG
(US9725445, 15-14)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc(cc3)-c3cnn(CCC#N)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C25H24N8O/c26-11-3-13-32-16-19(15-29-32)17-6-8-20(9-7-17)30-24-23-22(10-12-28-25(23)34)33(31-24)21-5-2-1-4-18(21)14-27/h6-10,12,15-16,18,21H,1-5,13H2,(H,28,34)(H,30,31)/t18-,21+/m1/s1
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n/an/a 65n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330902
PNG
(US9725445, 3-83)
Show SMILES COCCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C23H26N6O4S/c1-33-11-10-28-14-16-12-17(6-7-20(16)34(28,31)32)26-22-21-19(8-9-25-23(21)30)29(27-22)18-5-3-2-4-15(18)13-24/h6-9,12,15,18H,2-5,10-11,14H2,1H3,(H,25,30)(H,26,27)/t15-,18+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330882
PNG
(US9725445, 3-63)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(CC5CC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C24H26N6O3S/c25-12-16-3-1-2-4-19(16)30-20-9-10-26-24(31)22(20)23(28-30)27-18-7-8-21-17(11-18)14-29(34(21,32)33)13-15-5-6-15/h7-11,15-16,19H,1-6,13-14H2,(H,26,31)(H,27,28)/t16-,19+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331092
PNG
(US9725445, 15-37 | US9725445, 15-38)
Show SMILES CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1C)n1ccnn1
Show InChI InChI=1S/C26H30N8O/c1-16(2)24(33-13-12-29-32-33)20-9-8-19(14-17(20)3)30-25-23-22(10-11-28-26(23)35)34(31-25)21-7-5-4-6-18(21)15-27/h8-14,16,18,21,24H,4-7H2,1-3H3,(H,28,35)(H,30,31)/t18-,21+,24?/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330969
PNG
(US9725445, 3-150)
Show SMILES CC(C)(C)OC(=O)CCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H32N6O5S/c1-27(2,3)38-23(34)11-13-32-16-18-14-19(8-9-22(18)39(32,36)37)30-25-24-21(10-12-29-26(24)35)33(31-25)20-7-5-4-6-17(20)15-28/h8-10,12,14,17,20H,4-7,11,13,16H2,1-3H3,(H,29,35)(H,30,31)/t17-,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330980
PNG
(US9725445, 3-161)
Show SMILES COCCC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C26H32N6O4S/c1-26(2,11-13-36-3)31-16-18-14-19(8-9-22(18)37(31,34)35)29-24-23-21(10-12-28-25(23)33)32(30-24)20-7-5-4-6-17(20)15-27/h8-10,12,14,17,20H,4-7,11,13,16H2,1-3H3,(H,28,33)(H,29,30)/t17-,20+/m1/s1
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n/an/a 67n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331119
PNG
(US9725445, 15-64)
Show SMILES CC1(CCOCC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C26H30N6O4S/c1-26(9-12-36-13-10-26)31-16-18-14-19(6-7-22(18)37(31,34)35)29-24-23-21(8-11-28-25(23)33)32(30-24)20-5-3-2-4-17(20)15-27/h6-8,11,14,17,20H,2-5,9-10,12-13,16H2,1H3,(H,28,33)(H,29,30)/t17-,20+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331078
PNG
(US9725445, 15-23 | US9725445, 15-24)
Show SMILES CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1ccnn1
Show InChI InChI=1S/C25H28N8O/c1-16(2)23(32-14-13-28-31-32)17-7-9-19(10-8-17)29-24-22-21(11-12-27-25(22)34)33(30-24)20-6-4-3-5-18(20)15-26/h7-14,16,18,20,23H,3-6H2,1-2H3,(H,27,34)(H,29,30)/t18-,20+,23?/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331143
PNG
(US9725445, 21-3)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CC5(CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCC[C@@H]1C#N
Show InChI InChI=1S/C25H27N5O4S/c26-15-16-3-1-2-4-19(16)30-20-7-10-27-24(31)22(20)23(29-30)28-18-5-6-21-17(13-18)14-25(35(21,32)33)8-11-34-12-9-25/h5-7,10,13,16,19H,1-4,8-9,11-12,14H2,(H,27,31)(H,28,29)/t16-,19+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331132
PNG
(US9725445, 16-2)
Show SMILES OC(=O)[C@@H]1CC[C@@H](CC1)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H30N6O5S/c28-14-17-3-1-2-4-21(17)33-22-11-12-29-26(34)24(22)25(31-33)30-19-7-10-23-18(13-19)15-32(39(23,37)38)20-8-5-16(6-9-20)27(35)36/h7,10-13,16-17,20-21H,1-6,8-9,15H2,(H,29,34)(H,30,31)(H,35,36)/t16-,17-,20+,21+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331075
PNG
(US9725445, 15-20)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C25H28N6O2/c1-25(2,3)30-14-16-12-17(8-9-18(16)24(30)33)28-22-21-20(10-11-27-23(21)32)31(29-22)19-7-5-4-6-15(19)13-26/h8-12,15,19H,4-7,14H2,1-3H3,(H,27,32)(H,28,29)/t15-,19+/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330898
PNG
(US9725445, 3-79)
Show SMILES CC(C)N1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C23H26N6O3S/c1-14(2)28-13-16-11-17(7-8-20(16)33(28,31)32)26-22-21-19(9-10-25-23(21)30)29(27-22)18-6-4-3-5-15(18)12-24/h7-11,14-15,18H,3-6,13H2,1-2H3,(H,25,30)(H,26,27)/t15-,18+/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330917
PNG
(US9725445, 3-98)
Show SMILES OC(c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N5O2/c21-20(22,23)17(29)11-4-6-13(7-5-11)26-18-16-15(8-9-25-19(16)30)28(27-18)14-3-1-2-12(14)10-24/h4-9,12,14,17,29H,1-3H2,(H,25,30)(H,26,27)/t12-,14+,17?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331101
PNG
(US9725445, 15-46)
Show SMILES COCC(C)(C)CN1Cc2cc(Nc3nn([C@@H]4CCCCC[C@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C27H34N6O4S/c1-27(2,17-37-3)16-32-15-19-13-20(9-10-23(19)38(32,35)36)30-25-24-22(11-12-29-26(24)34)33(31-25)21-8-6-4-5-7-18(21)14-28/h9-13,18,21H,4-8,15-17H2,1-3H3,(H,29,34)(H,30,31)/t18-,21+/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330945
PNG
(US9725445, 3-126 | US9725445, 3-127)
Show SMILES CC1N(C)S(=O)(=O)c2ccc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)cc12
Show InChI InChI=1S/C22H24N6O3S/c1-13-16-11-15(7-8-19(16)32(30,31)27(13)2)25-21-20-18(9-10-24-22(20)29)28(26-21)17-6-4-3-5-14(17)12-23/h7-11,13-14,17H,3-6H2,1-2H3,(H,24,29)(H,25,26)/t13?,14-,17+/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
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n/an/a 77n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331114
PNG
(US9725445, 15-59)
Show SMILES O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCOCC1
Show InChI InChI=1S/C26H28N6O3/c27-14-16-3-1-2-4-21(16)32-22-7-10-28-25(33)23(22)24(30-32)29-18-5-6-20-17(13-18)15-31(26(20)34)19-8-11-35-12-9-19/h5-7,10,13,16,19,21H,1-4,8-9,11-12,15H2,(H,28,33)(H,29,30)/t16-,21+/m1/s1
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n/an/a 78n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331078
PNG
(US9725445, 15-23 | US9725445, 15-24)
Show SMILES CC(C)C(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)n1ccnn1
Show InChI InChI=1S/C25H28N8O/c1-16(2)23(32-14-13-28-31-32)17-7-9-19(10-8-17)29-24-22-21(11-12-27-25(22)34)33(30-24)20-6-4-3-5-18(20)15-26/h7-14,16,18,20,23H,3-6H2,1-2H3,(H,27,34)(H,29,30)/t18-,20+,23?/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330899
PNG
(US9725445, 3-80)
Show SMILES OCCN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C22H24N6O4S/c23-12-14-3-1-2-4-17(14)28-18-7-8-24-22(30)20(18)21(26-28)25-16-5-6-19-15(11-16)13-27(9-10-29)33(19,31)32/h5-8,11,14,17,29H,1-4,9-10,13H2,(H,24,30)(H,25,26)/t14-,17+/m1/s1
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n/an/a 79n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330827
PNG
(US9725445, 3-8 | US9725445, 3-9)
Show SMILES OC(c1ccc(Nc2nn([C@H]3CCCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1)C(F)(F)F
Show InChI InChI=1S/C21H20F3N5O2/c22-21(23,24)18(30)12-5-7-14(8-6-12)27-19-17-16(9-10-26-20(17)31)29(28-19)15-4-2-1-3-13(15)11-25/h5-10,13,15,18,30H,1-4H2,(H,26,31)(H,27,28)/t13-,15+,18?/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331109
PNG
(US9725445, 15-54)
Show SMILES O=c1[nH]ccc2n(nc(Nc3ccc4c(CN(C5CCOCC5)S4(=O)=O)c3)c12)[C@H]1CCCCC[C@@H]1C#N
Show InChI InChI=1S/C26H30N6O4S/c27-15-17-4-2-1-3-5-21(17)32-22-8-11-28-26(33)24(22)25(30-32)29-19-6-7-23-18(14-19)16-31(37(23,34)35)20-9-12-36-13-10-20/h6-8,11,14,17,20-21H,1-5,9-10,12-13,16H2,(H,28,33)(H,29,30)/t17-,21+/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330916
PNG
(US9725445, 3-97)
Show SMILES FC(F)(F)CN1Cc2cc(Nc3nn([C@H]4CCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2C1=O
Show InChI InChI=1S/C22H19F3N6O2/c23-22(24,25)11-30-10-13-8-14(4-5-15(13)21(30)33)28-19-18-17(6-7-27-20(18)32)31(29-19)16-3-1-2-12(16)9-26/h4-8,12,16H,1-3,10-11H2,(H,27,32)(H,28,29)/t12-,16+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331089
PNG
(US9725445, 15-34)
Show SMILES O=C1N(Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc12)C1CCCCC1
Show InChI InChI=1S/C27H30N6O2/c28-15-17-6-4-5-9-22(17)33-23-12-13-29-26(34)24(23)25(31-33)30-19-10-11-21-18(14-19)16-32(27(21)35)20-7-2-1-3-8-20/h10-14,17,20,22H,1-9,16H2,(H,29,34)(H,30,31)/t17-,22+/m1/s1
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n/an/a 82n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330881
PNG
(US9725445, 3-62)
Show SMILES CC(C)CN1Cc2cc(Nc3nn([C@H]4CCCC[C@@H]4C#N)c4cc[nH]c(=O)c34)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O3S/c1-15(2)13-29-14-17-11-18(7-8-21(17)34(29,32)33)27-23-22-20(9-10-26-24(22)31)30(28-23)19-6-4-3-5-16(19)12-25/h7-11,15-16,19H,3-6,13-14H2,1-2H3,(H,26,31)(H,27,28)/t16-,19+/m1/s1
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n/an/a 83n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
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n/an/a 85n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM330918
PNG
(US9725445, 3-99)
Show SMILES NS(=O)(=O)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C18H18N6O3S/c19-10-11-2-1-3-14(11)24-15-8-9-21-18(25)16(15)17(23-24)22-12-4-6-13(7-5-12)28(20,26)27/h4-9,11,14H,1-3H2,(H,21,25)(H,22,23)(H2,20,26,27)/t11-,14+/m1/s1
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n/an/a 90n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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


(Homo sapiens (Human))
BDBM331126
PNG
(US9725445, 15-71 | US9725445, 15-72)
Show SMILES FC(F)(F)C1(CCCCN1)c1ccc(Nc2nn([C@H]3CCC[C@@H]3C#N)c3cc[nH]c(=O)c23)cc1
Show InChI InChI=1S/C24H25F3N6O/c25-24(26,27)23(11-1-2-12-30-23)16-6-8-17(9-7-16)31-21-20-19(10-13-29-22(20)34)33(32-21)18-5-3-4-15(18)14-28/h6-10,13,15,18,30H,1-5,11-12H2,(H,29,34)(H,31,32)/t15-,18+,23?/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9725445 (2017)

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