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Patent code US9394282

Compile Data Set for Download or QSAR

Found 406 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))
BDBM237881
PNG
(US9394282, 9-16)
Show SMILES C[C@@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,19+/m1/s1
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US Patent
n/an/a 0.0300n/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 ...


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


(Homo sapiens (Human))
BDBM237899
PNG
(US9394282, 9-34)
Show SMILES CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H22N6O3/c1-24(2)19(27)12-3-5-14(6-4-12)22-18-15(17(21)26)10-25(23-18)16-11-28-8-7-13(16)9-20/h3-6,10,13,16H,7-8,11H2,1-2H3,(H2,21,26)(H,22,23)/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 ...


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


(Homo sapiens (Human))
BDBM237882
PNG
(US9394282, 9-17)
Show SMILES C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,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 ...


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


(Homo sapiens (Human))
BDBM237900
PNG
(US9394282, 9-35)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C17H16N6O2/c18-7-11-1-3-13(4-2-11)21-17-14(16(20)24)9-23(22-17)15-10-25-6-5-12(15)8-19/h1-4,9,12,15H,5-6,10H2,(H2,20,24)(H,21,22)/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 ...


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


(Homo sapiens (Human))
BDBM237874
PNG
(US9394282, 9-9)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)15(27)10-1-3-12(4-2-10)24-17-13(16(23)28)8-26(25-17)14-9-29-6-5-11(14)7-22/h1-4,8,11,14-15,27H,5-6,9H2,(H2,23,28)(H,24,25)/t11-,14+,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 ...


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


(Homo sapiens (Human))
BDBM237873
PNG
(US9394282, 9-8)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)15(27)10-1-3-12(4-2-10)24-17-13(16(23)28)8-26(25-17)14-9-29-6-5-11(14)7-22/h1-4,8,11,14-15,27H,5-6,9H2,(H2,23,28)(H,24,25)/t11-,14+,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 ...


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


(Homo sapiens (Human))
BDBM237890
PNG
(US9394282, 9-25)
Show SMILES COC(C)(C)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H25N5O3/c1-20(2,27-3)14-4-6-15(7-5-14)23-19-16(18(22)26)11-25(24-19)17-12-28-9-8-13(17)10-21/h4-7,11,13,17H,8-9,12H2,1-3H3,(H2,22,26)(H,23,24)/t13-,17+/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 ...


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


(Homo sapiens (Human))
BDBM237889
PNG
(US9394282, 9-24)
Show SMILES CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C20H23N5O3/c1-20(11-28-12-20)14-2-4-15(5-3-14)23-19-16(18(22)26)9-25(24-19)17-10-27-7-6-13(17)8-21/h2-5,9,13,17H,6-7,10-12H2,1H3,(H2,22,26)(H,23,24)/t13-,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 ...


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


(Homo sapiens (Human))
BDBM237881
PNG
(US9394282, 9-16)
Show SMILES C[C@@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,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 ...


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


(Homo sapiens (Human))
BDBM237882
PNG
(US9394282, 9-17)
Show SMILES C[C@](O)(C(F)F)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H21F2N5O3/c1-19(28,18(20)21)12-2-4-13(5-3-12)24-17-14(16(23)27)9-26(25-17)15-10-29-7-6-11(15)8-22/h2-5,9,11,15,18,28H,6-7,10H2,1H3,(H2,23,27)(H,24,25)/t11-,15+,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 ...


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


(Homo sapiens (Human))
BDBM237868
PNG
(US9394282, 9-20 | US9394282, 9-3)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237878
PNG
(US9394282, 9-13)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(Cl)c(F)c1)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C16H15ClFN5O2/c17-12-2-1-10(5-13(12)18)21-16-11(15(20)24)7-23(22-16)14-8-25-4-3-9(14)6-19/h1-2,5,7,9,14H,3-4,8H2,(H2,20,24)(H,21,22)/t9-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237866
PNG
(US9394282, 9-1)
Show SMILES NC(=O)c1cn(nc1Nc1ccnc(F)c1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C15H15FN6O2/c16-13-5-10(1-3-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-2-9(12)6-17/h1,3,5,7,9,12H,2,4,8H2,(H2,18,23)(H,19,20,21)/t9-,12+/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 ...


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


(Homo sapiens (Human))
BDBM237869
PNG
(US9394282, 9-4)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(Cl)cc1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C16H16ClN5O2/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-9-24-6-5-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/t10-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237899
PNG
(US9394282, 9-34)
Show SMILES CN(C)C(=O)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C19H22N6O3/c1-24(2)19(27)12-3-5-14(6-4-12)22-18-15(17(21)26)10-25(23-18)16-11-28-8-7-13(16)9-20/h3-6,10,13,16H,7-8,11H2,1-2H3,(H2,21,26)(H,22,23)/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 ...


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


(Homo sapiens (Human))
BDBM237903
PNG
(US9394282, 9-38)
Show SMILES NC(=O)c1cn(nc1Nc1ccccc1)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C16H17N5O2/c17-8-11-6-7-23-10-14(11)21-9-13(15(18)22)16(20-21)19-12-4-2-1-3-5-12/h1-5,9,11,14H,6-7,10H2,(H2,18,22)(H,19,20)/t11-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237876
PNG
(US9394282, 9-11)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(Cl)c(Cl)c1)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C16H15Cl2N5O2/c17-12-2-1-10(5-13(12)18)21-16-11(15(20)24)7-23(22-16)14-8-25-4-3-9(14)6-19/h1-2,5,7,9,14H,3-4,8H2,(H2,20,24)(H,21,22)/t9-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237890
PNG
(US9394282, 9-25)
Show SMILES COC(C)(C)c1ccc(Nc2nn(cc2C(N)=O)[C@@H]2COCC[C@H]2C#N)cc1
Show InChI InChI=1S/C20H25N5O3/c1-20(2,27-3)14-4-6-15(7-5-14)23-19-16(18(22)26)11-25(24-19)17-12-28-9-8-13(17)10-21/h4-7,11,13,17H,8-9,12H2,1-3H3,(H2,22,26)(H,23,24)/t13-,17+/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 ...


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


(Homo sapiens (Human))
BDBM237887
PNG
(US9394282, 9-22)
Show SMILES NC(=O)c1cn(nc1Nc1cnc2cc(Cl)ccc2c1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C19H17ClN6O2/c20-13-2-1-11-5-14(8-23-16(11)6-13)24-19-15(18(22)27)9-26(25-19)17-10-28-4-3-12(17)7-21/h1-2,5-6,8-9,12,17H,3-4,10H2,(H2,22,27)(H,24,25)/t12-,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 ...


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


(Homo sapiens (Human))
BDBM237862
PNG
(US9394282, 8-7)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)S(=O)(=O)C(F)(F)F)[C@@H]1CS(=O)(=O)C[C@H]1C#N
Show InChI InChI=1S/C16H14F3N5O5S2/c17-16(18,19)31(28,29)11-3-1-10(2-4-11)22-15-12(14(21)25)6-24(23-15)13-8-30(26,27)7-9(13)5-20/h1-4,6,9,13H,7-8H2,(H2,21,25)(H,22,23)/t9-,13-/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 ...


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


(Homo sapiens (Human))
BDBM237893
PNG
(US9394282, 9-28)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(Cl)nc1)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C15H15ClN6O2/c16-13-2-1-10(6-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-3-9(12)5-17/h1-2,6-7,9,12H,3-4,8H2,(H2,18,23)(H,20,21)/t9-,12+/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 ...


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


(Homo sapiens (Human))
BDBM237898
PNG
(US9394282, 9-33)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)F)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C16H16F2N6O2/c17-14(18)12-2-1-10(6-21-12)22-16-11(15(20)25)7-24(23-16)13-8-26-4-3-9(13)5-19/h1-2,6-7,9,13-14H,3-4,8H2,(H2,20,25)(H,22,23)/t9-,13+/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 ...


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


(Homo sapiens (Human))
BDBM237911
PNG
(US9394282, 13-5 | US9394282, 14-2)
Show SMILES C[C@@]1(CS(=O)(=O)CC1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N
Show InChI InChI=1S/C16H16FN5O3S/c1-16(8-18)9-26(24,25)7-13(16)22-6-12(14(19)23)15(21-22)20-11-4-2-10(17)3-5-11/h2-6,13H,7,9H2,1H3,(H2,19,23)(H,20,21)/t13?,16-/m0/s1
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Merck Sharp & Dohme Corp.

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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 ...


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


(Homo sapiens (Human))
BDBM237854
PNG
(US9394282, 7-1)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cncs2)CC[C@H]1C#N
Show InChI InChI=1S/C20H20FN7OS/c21-14-1-3-15(4-2-14)25-20-17(19(23)29)10-28(26-20)18-11-27(6-5-13(18)7-22)9-16-8-24-12-30-16/h1-4,8,10,12-13,18H,5-6,9,11H2,(H2,23,29)(H,25,26)/t13-,18+/m0/s1
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Merck Sharp & Dohme Corp.

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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 ...


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


(Homo sapiens (Human))
BDBM237889
PNG
(US9394282, 9-24)
Show SMILES CC1(COC1)c1ccc(Nc2nn(cc2C(N)=O)[C@H]2COCC[C@@H]2C#N)cc1
Show InChI InChI=1S/C20H23N5O3/c1-20(11-28-12-20)14-2-4-15(5-3-14)23-19-16(18(22)26)9-25(24-19)17-10-27-7-6-13(17)8-21/h2-5,9,13,17H,6-7,10-12H2,1H3,(H2,22,26)(H,23,24)/t13-,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 ...


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


(Homo sapiens (Human))
BDBM237901
PNG
(US9394282, 9-36)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(OCC(F)(F)F)nc1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C17H17F3N6O3/c18-17(19,20)9-29-14-2-1-11(6-23-14)24-16-12(15(22)27)7-26(25-16)13-8-28-4-3-10(13)5-21/h1-2,6-7,10,13H,3-4,8-9H2,(H2,22,27)(H,24,25)/t10-,13+/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 ...


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


(Homo sapiens (Human))
BDBM237873
PNG
(US9394282, 9-8)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)15(27)10-1-3-12(4-2-10)24-17-13(16(23)28)8-26(25-17)14-9-29-6-5-11(14)7-22/h1-4,8,11,14-15,27H,5-6,9H2,(H2,23,28)(H,24,25)/t11-,14+,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 ...


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


(Homo sapiens (Human))
BDBM237855
PNG
(US9394282, 7-2)
Show SMILES Cc1ncoc1CN1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C21H22FN7O2/c1-13-19(31-12-25-13)11-28-7-6-14(8-23)18(10-28)29-9-17(20(24)30)21(27-29)26-16-4-2-15(22)3-5-16/h2-5,9,12,14,18H,6-7,10-11H2,1H3,(H2,24,30)(H,26,27)/t14-,18+/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 ...


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


(Homo sapiens (Human))
BDBM237874
PNG
(US9394282, 9-9)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)[C@H](O)C(F)(F)F)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C18H18F3N5O3/c19-18(20,21)15(27)10-1-3-12(4-2-10)24-17-13(16(23)28)8-26(25-17)14-9-29-6-5-11(14)7-22/h1-4,8,11,14-15,27H,5-6,9H2,(H2,23,28)(H,24,25)/t11-,14+,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 ...


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


(Homo sapiens (Human))
BDBM237809
PNG
(US9394282, 5-88)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC1(CC#N)CC1
Show InChI InChI=1S/C23H24FN7O3/c24-16-1-3-17(4-2-16)28-21-18(20(27)32)12-31(29-21)19-13-30(10-5-15(19)11-26)22(33)34-14-23(6-7-23)8-9-25/h1-4,12,15,19H,5-8,10,13-14H2,(H2,27,32)(H,28,29)/t15-,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 ...


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


(Homo sapiens (Human))
BDBM237829
PNG
(US9394282, 6-16)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2ccc(F)cn2)CC[C@H]1C#N
Show InChI InChI=1S/C22H21F2N7O/c23-15-1-4-17(5-2-15)28-22-19(21(26)32)12-31(29-22)20-13-30(8-7-14(20)9-25)11-18-6-3-16(24)10-27-18/h1-6,10,12,14,20H,7-8,11,13H2,(H2,26,32)(H,28,29)/t14-,20+/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 ...


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


(Homo sapiens (Human))
BDBM237900
PNG
(US9394282, 9-35)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C#N)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C17H16N6O2/c18-7-11-1-3-13(4-2-11)21-17-14(16(20)24)9-23(22-17)15-10-25-6-5-12(15)8-19/h1-4,9,12,15H,5-6,10H2,(H2,20,24)(H,21,22)/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 ...


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


(Homo sapiens (Human))
BDBM237879
PNG
(US9394282, 9-14)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(nc1)C(F)(F)F)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C16H15F3N6O2/c17-16(18,19)13-2-1-10(6-22-13)23-15-11(14(21)26)7-25(24-15)12-8-27-4-3-9(12)5-20/h1-2,6-7,9,12H,3-4,8H2,(H2,21,26)(H,23,24)/t9-,12+/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 ...


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


(Homo sapiens (Human))
BDBM237894
PNG
(US9394282, 9-29)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)nc1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C15H15FN6O2/c16-13-2-1-10(6-19-13)20-15-11(14(18)23)7-22(21-15)12-8-24-4-3-9(12)5-17/h1-2,6-7,9,12H,3-4,8H2,(H2,18,23)(H,20,21)/t9-,12+/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 ...


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


(Homo sapiens (Human))
BDBM237861
PNG
(US9394282, 12-1 | US9394282, 8-6)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@H]1C#N
Show InChI InChI=1S/C15H14FN5O3S/c16-10-1-3-11(4-2-10)19-15-12(14(18)22)6-21(20-15)13-8-25(23,24)7-9(13)5-17/h1-4,6,9,13H,7-8H2,(H2,18,22)(H,19,20)/t9-,13-/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 ...


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


(Homo sapiens (Human))
BDBM237896
PNG
(US9394282, 9-31)
Show SMILES NC(=O)c1cn(nc1Nc1cncc(F)c1)[C@@H]1COCC[C@H]1C#N
Show InChI InChI=1S/C15H15FN6O2/c16-10-3-11(6-19-5-10)20-15-12(14(18)23)7-22(21-15)13-8-24-2-1-9(13)4-17/h3,5-7,9,13H,1-2,8H2,(H2,18,23)(H,20,21)/t9-,13+/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 ...


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


(Homo sapiens (Human))
BDBM237868
PNG
(US9394282, 9-20 | US9394282, 9-3)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(OC(F)(F)F)cc1)[C@H]1COCC[C@@H]1C#N
Show InChI InChI=1S/C17H16F3N5O3/c18-17(19,20)28-12-3-1-11(2-4-12)23-16-13(15(22)26)8-25(24-16)14-9-27-6-5-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14+/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 ...


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


(Homo sapiens (Human))
BDBM237795
PNG
(US9394282, 5-74)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCC(F)(F)CO
Show InChI InChI=1S/C20H21F3N6O4/c21-13-1-3-14(4-2-13)26-18-15(17(25)31)8-29(27-18)16-9-28(6-5-12(16)7-24)19(32)33-11-20(22,23)10-30/h1-4,8,12,16,30H,5-6,9-11H2,(H2,25,31)(H,26,27)/t12-,16+/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 ...


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


(Homo sapiens (Human))
BDBM237828
PNG
(US9394282, 6-15)
Show SMILES Cc1c(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)cnn1C
Show InChI InChI=1S/C22H25FN8O/c1-14-16(10-26-29(14)2)11-30-8-7-15(9-24)20(13-30)31-12-19(21(25)32)22(28-31)27-18-5-3-17(23)4-6-18/h3-6,10,12,15,20H,7-8,11,13H2,1-2H3,(H2,25,32)(H,27,28)/t15-,20+/m0/s1
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Merck Sharp & Dohme Corp.

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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 ...


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


(Homo sapiens (Human))
BDBM237790
PNG
(US9394282, 5-69)
Show SMILES CC(C)(COC(=O)N1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N
Show InChI InChI=1S/C22H24FN7O3/c1-22(2,12-25)13-33-21(32)29-8-7-14(9-24)18(11-29)30-10-17(19(26)31)20(28-30)27-16-5-3-15(23)4-6-16/h3-6,10,14,18H,7-8,11,13H2,1-2H3,(H2,26,31)(H,27,28)/t14-,18+/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 ...


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


(Homo sapiens (Human))
BDBM237860
PNG
(US9394282, 12-2 | US9394282, 8-5)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CS(=O)(=O)C[C@@H]1C#N
Show InChI InChI=1S/C15H14FN5O3S/c16-10-1-3-11(4-2-10)19-15-12(14(18)22)6-21(20-15)13-8-25(23,24)7-9(13)5-17/h1-4,6,9,13H,7-8H2,(H2,18,22)(H,19,20)/t9-,13+/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 ...


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


(Homo sapiens (Human))
BDBM60972
PNG
(US9394282, 8-2)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CCS(=O)(=O)C[C@H]1C#N
Show InChI InChI=1S/C16H16FN5O3S/c17-11-1-3-12(4-2-11)20-16-13(15(19)23)8-22(21-16)14-5-6-26(24,25)9-10(14)7-18/h1-4,8,10,14H,5-6,9H2,(H2,19,23)(H,20,21)/t10-,14-/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 ...


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


(Homo sapiens (Human))
BDBM237812
PNG
(US9394282, 5-91)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(CC[C@H]1C#N)C(=O)OCCC1CC1
Show InChI InChI=1S/C22H25FN6O3/c23-16-3-5-17(6-4-16)26-21-18(20(25)30)12-29(27-21)19-13-28(9-7-15(19)11-24)22(31)32-10-8-14-1-2-14/h3-6,12,14-15,19H,1-2,7-10,13H2,(H2,25,30)(H,26,27)/t15-,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 ...


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


(Homo sapiens (Human))
BDBM237830
PNG
(US9394282, 6-17)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cccnc2F)CC[C@H]1C#N
Show InChI InChI=1S/C22H21F2N7O/c23-16-3-5-17(6-4-16)28-22-18(21(26)32)12-31(29-22)19-13-30(9-7-14(19)10-25)11-15-2-1-8-27-20(15)24/h1-6,8,12,14,19H,7,9,11,13H2,(H2,26,32)(H,28,29)/t14-,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 ...


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


(Homo sapiens (Human))
BDBM237831
PNG
(US9394282, 6-18)
Show SMILES Cc1ncc(CN2CC[C@@H](C#N)[C@@H](C2)n2cc(C(N)=O)c(Nc3ccc(F)cc3)n2)s1
Show InChI InChI=1S/C21H22FN7OS/c1-13-25-9-17(31-13)10-28-7-6-14(8-23)19(12-28)29-11-18(20(24)30)21(27-29)26-16-4-2-15(22)3-5-16/h2-5,9,11,14,19H,6-7,10,12H2,1H3,(H2,24,30)(H,26,27)/t14-,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 ...


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


(Homo sapiens (Human))
BDBM237858
PNG
(US9394282, 13-3 | US9394282, 13-4 | US9394282, 8-3...)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(cc1)C(F)(F)F)[C@@H]1CCS(=O)(=O)C[C@H]1C#N
Show InChI InChI=1S/C17H16F3N5O3S/c18-17(19,20)11-1-3-12(4-2-11)23-16-13(15(22)26)8-25(24-16)14-5-6-29(27,28)9-10(14)7-21/h1-4,8,10,14H,5-6,9H2,(H2,22,26)(H,23,24)/t10-,14-/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 ...


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


(Homo sapiens (Human))
BDBM237912
PNG
(US9394282, 14-1)
Show SMILES C[C@]1(CS(=O)(=O)C[C@H]1n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1)C#N
Show InChI InChI=1S/C16H16FN5O3S/c1-16(8-18)9-26(24,25)7-13(16)22-6-12(14(19)23)15(21-22)20-11-4-2-10(17)3-5-11/h2-6,13H,7,9H2,1H3,(H2,19,23)(H,20,21)/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 ...


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


(Homo sapiens (Human))
BDBM237819
PNG
(US9394282, 6-6)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2cscn2)CC[C@H]1C#N
Show InChI InChI=1S/C20H20FN7OS/c21-14-1-3-15(4-2-14)25-20-17(19(23)29)9-28(26-20)18-10-27(6-5-13(18)7-22)8-16-11-30-12-24-16/h1-4,9,11-13,18H,5-6,8,10H2,(H2,23,29)(H,25,26)/t13-,18+/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 ...


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


(Homo sapiens (Human))
BDBM237832
PNG
(US9394282, 6-19)
Show SMILES CCn1ccnc1CN1CC[C@@H](C#N)[C@@H](C1)n1cc(C(N)=O)c(Nc2ccc(F)cc2)n1
Show InChI InChI=1S/C22H25FN8O/c1-2-30-10-8-26-20(30)14-29-9-7-15(11-24)19(13-29)31-12-18(21(25)32)22(28-31)27-17-5-3-16(23)4-6-17/h3-6,8,10,12,15,19H,2,7,9,13-14H2,1H3,(H2,25,32)(H,27,28)/t15-,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 ...


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


(Homo sapiens (Human))
BDBM237816
PNG
(US9394282, 6-3)
Show SMILES NC(=O)c1cn(nc1Nc1ccc(F)cc1)[C@@H]1CN(Cc2ccon2)CC[C@H]1C#N
Show InChI InChI=1S/C20H20FN7O2/c21-14-1-3-15(4-2-14)24-20-17(19(23)29)11-28(25-20)18-12-27(7-5-13(18)9-22)10-16-6-8-30-26-16/h1-4,6,8,11,13,18H,5,7,10,12H2,(H2,23,29)(H,24,25)/t13-,18+/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 ...


Citation and Details
More data for this
Ligand-Target Pair
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