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USPatent US8993756

Compile Data Set for Download or QSAR

Found 226 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 JAK3


(Homo sapiens (Human))
BDBM153198
PNG
(US8993756, 5-10)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(F)=C)c3)c12
Show InChI InChI=1S/C18H14F2N4O3/c1-3-27-18(26)11-7-21-16-14(11)15(22-8-23-16)10-4-5-12(20)13(6-10)24-17(25)9(2)19/h4-8H,2-3H2,1H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0130n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153166
PNG
(US8993756, 4-9)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17ClN4O3/c1-4-27-19(26)12-8-21-17-15(12)16(22-9-23-17)11-5-6-13(20)14(7-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0130n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153227
PNG
(US8993756, 20-9)
Show SMILES C=CC(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3)c12
Show InChI InChI=1S/C21H16N4O/c1-2-18(26)25-16-10-6-9-15(11-16)20-19-17(14-7-4-3-5-8-14)12-22-21(19)24-13-23-20/h2-13H,1H2,(H,25,26)(H,22,23,24)
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n/an/a 0.0160n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM47231
PNG
(US8993756, 16)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)\C=C\CN(C)C)c3)c12
Show InChI InChI=1S/C21H23N5O3/c1-4-29-21(28)16-12-22-20-18(16)19(23-13-24-20)14-7-5-8-15(11-14)25-17(27)9-6-10-26(2)3/h5-9,11-13H,4,10H2,1-3H3,(H,25,27)(H,22,23,24)/b9-6+
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n/an/a 0.0200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153218
PNG
(US8993756, 15-2)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CO)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-3-27-19(26)14-8-20-17-15(14)16(21-10-22-17)12-5-4-6-13(7-12)23-18(25)11(2)9-24/h4-8,10,24H,2-3,9H2,1H3,(H,23,25)(H,20,21,22)
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n/an/a 0.0200n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153191
PNG
(US8993756, 5-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(F)=C)c3)c12
Show InChI InChI=1S/C18H15FN4O3/c1-3-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-4-6-12(7-11)23-17(24)10(2)19/h4-9H,2-3H2,1H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153217
PNG
(US8993756, 15-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CF)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-3-27-19(26)14-9-21-17-15(14)16(22-10-23-17)12-5-4-6-13(7-12)24-18(25)11(2)8-20/h4-7,9-10H,2-3,8H2,1H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153207
PNG
(US8993756, 5-45)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)COC)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-4-28-20(26)15-9-21-18-16(15)17(22-11-23-18)13-6-5-7-14(8-13)24-19(25)12(2)10-27-3/h5-9,11H,2,4,10H2,1,3H3,(H,24,25)(H,21,22,23)
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n/an/a 0.0250n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153168
PNG
(US8993756, 4-11)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-15(24)23-14-8-12(7-6-11(14)3)17-16-13(19(25)26-5-2)9-20-18(16)22-10-21-17/h4,6-10H,1,5H2,2-3H3,(H,23,24)(H,20,21,22)
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n/an/a 0.0330n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153209
PNG
(US8993756, 10-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NS(=O)(=O)C=C)c3)c12
Show InChI InChI=1S/C17H16N4O4S/c1-3-25-17(22)13-9-18-16-14(13)15(19-10-20-16)11-6-5-7-12(8-11)21-26(23,24)4-2/h4-10,21H,2-3H2,1H3,(H,18,19,20)
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n/an/a 0.0370n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153163
PNG
(US8993756, 4-5)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C18H16N4O3/c1-3-14(23)22-12-7-5-6-11(8-12)16-15-13(18(24)25-4-2)9-19-17(15)21-10-20-16/h3,5-10H,1,4H2,2H3,(H,22,23)(H,19,20,21)
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n/an/a 0.0400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153194
PNG
(US8993756, 5-5)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(Br)=C)c3)c12
Show InChI InChI=1S/C18H15BrN4O3/c1-3-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-4-6-12(7-11)23-17(24)10(2)19/h4-9H,2-3H2,1H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153190
PNG
(US8993756, 4-35)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccnc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H17N5O3/c1-4-26-18(25)12-8-20-16-14(12)15(21-9-22-16)11-5-6-19-13(7-11)23-17(24)10(2)3/h5-9H,2,4H2,1,3H3,(H,19,23,24)(H,20,21,22)
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n/an/a 0.0490n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153162
PNG
(US8993756, 4-4)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)nc(OC)c3)c12
Show InChI InChI=1S/C19H19N5O4/c1-5-28-19(26)12-8-20-17-15(12)16(21-9-22-17)11-6-13(23-14(7-11)27-4)24-18(25)10(2)3/h6-9H,2,5H2,1,3-4H3,(H,20,21,22)(H,23,24,25)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153175
PNG
(US8993756, 4-19)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(F)cc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)14-8-21-17-15(14)16(22-9-23-17)11-5-12(20)7-13(6-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153214
PNG
(US8993756, 13-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CNS(C)(=O)=O)c3)c12
Show InChI InChI=1S/C20H21N5O5S/c1-4-30-20(27)15-10-21-18-16(15)17(22-11-23-18)13-6-5-7-14(8-13)25-19(26)12(2)9-24-31(3,28)29/h5-8,10-11,24H,2,4,9H2,1,3H3,(H,25,26)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153219
PNG
(US8993756, 18-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C4(C)CO4)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-3-26-17(24)13-8-20-16-14(13)15(21-10-22-16)11-5-4-6-12(7-11)23-18(25)19(2)9-27-19/h4-8,10H,3,9H2,1-2H3,(H,23,25)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153170
PNG
(US8993756, 4-14)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(Cl)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C18H15ClN4O3/c1-3-14(24)23-13-7-10(5-6-12(13)19)16-15-11(18(25)26-4-2)8-20-17(15)22-9-21-16/h3,5-9H,1,4H2,2H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153179
PNG
(US8993756, 4-24)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)cc(c3)C#N)c12
Show InChI InChI=1S/C20H17N5O3/c1-4-28-20(27)15-9-22-18-16(15)17(23-10-24-18)13-5-12(8-21)6-14(7-13)25-19(26)11(2)3/h5-7,9-10H,2,4H2,1,3H3,(H,25,26)(H,22,23,24)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153172
PNG
(US8993756, 4-16)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)12-8-21-17-15(12)16(22-9-23-17)11-5-6-13(20)14(7-11)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153193
PNG
(US8993756, 5-3)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C#CC)c3)c12
Show InChI InChI=1S/C19H16N4O3/c1-3-6-15(24)23-13-8-5-7-12(9-13)17-16-14(19(25)26-4-2)10-20-18(16)22-11-21-17/h5,7-11H,4H2,1-2H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153176
PNG
(US8993756, 4-20)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc4CCN(C(=O)C=C)c4c3)c12
Show InChI InChI=1S/C20H18N4O3/c1-3-16(25)24-8-7-12-5-6-13(9-15(12)24)18-17-14(20(26)27-4-2)10-21-19(17)23-11-22-18/h3,5-6,9-11H,1,4,7-8H2,2H3,(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153161
PNG
(US8993756, 4-3)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cncc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H17N5O3/c1-4-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-12(7-19-6-11)23-17(24)10(2)3/h5-9H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153184
PNG
(US8993756, 4-29)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(c(NC(=O)C(C)=C)c3)S(C)(=O)=O)c12
Show InChI InChI=1S/C20H20N4O5S/c1-5-29-20(26)13-9-21-18-16(13)17(22-10-23-18)12-6-7-15(30(4,27)28)14(8-12)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153171
PNG
(US8993756, 4-15)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C=C)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-4-15(24)23-13-8-11(6-7-14(13)26-3)17-16-12(19(25)27-5-2)9-20-18(16)22-10-21-17/h4,6-10H,1,5H2,2-3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153180
PNG
(US8993756, 4-25)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CO)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-4-28-20(27)14-8-21-18-16(14)17(22-10-23-18)12-5-6-13(9-25)15(7-12)24-19(26)11(2)3/h5-8,10,25H,2,4,9H2,1,3H3,(H,24,26)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153174
PNG
(BDBM153192 | US8993756, 4-18)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)ccc3F)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)13-8-21-17-15(13)16(22-9-23-17)12-7-11(5-6-14(12)20)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153173
PNG
(US8993756, 4-17)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(OC)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O4/c1-5-28-20(26)13-9-21-18-16(13)17(22-10-23-18)12-6-7-15(27-4)14(8-12)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153174
PNG
(BDBM153192 | US8993756, 4-18)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)ccc3F)c12
Show InChI InChI=1S/C19H17FN4O3/c1-4-27-19(26)13-8-21-17-15(13)16(22-9-23-17)12-7-11(5-6-14(12)20)24-18(25)10(2)3/h5-9H,2,4H2,1,3H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153186
PNG
(US8993756, 4-31)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(O)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O4/c1-4-27-19(26)12-8-20-17-15(12)16(21-9-22-17)11-5-6-14(24)13(7-11)23-18(25)10(2)3/h5-9,24H,2,4H2,1,3H3,(H,23,25)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153213
PNG
(US8993756, 12-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(c3)N(C)C(=O)C=C)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-15(24)23(3)13-8-6-7-12(9-13)17-16-14(19(25)26-5-2)10-20-18(16)22-11-21-17/h4,6-11H,1,5H2,2-3H3,(H,20,21,22)
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n/an/a 0.130n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153204
PNG
(US8993756, 5-36)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C4=CC(=O)CC4)c3)c12
Show InChI InChI=1S/C21H18N4O4/c1-2-29-21(28)16-10-22-19-17(16)18(23-11-24-19)12-4-3-5-14(8-12)25-20(27)13-6-7-15(26)9-13/h3-5,8-11H,2,6-7H2,1H3,(H,25,27)(H,22,23,24)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153182
PNG
(US8993756, 4-27)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C#N)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H17N5O3/c1-4-28-20(27)14-9-22-18-16(14)17(23-10-24-18)12-5-6-13(8-21)15(7-12)25-19(26)11(2)3/h5-7,9-10H,2,4H2,1,3H3,(H,25,26)(H,22,23,24)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153159
PNG
(BDBM153160 | US8993756, 4-1)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-26-19(25)14-9-20-17-15(14)16(21-10-22-17)12-6-5-7-13(8-12)23-18(24)11(2)3/h5-10H,2,4H2,1,3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153167
PNG
(US8993756, 4-10)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(C)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-5-27-20(26)14-9-21-18-16(14)17(22-10-23-18)13-7-6-12(4)15(8-13)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153220
PNG
(US8993756, 20-1)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(C)c3)c12
Show InChI InChI=1S/C23H20N4O/c1-14(2)23(28)27-18-9-5-8-17(11-18)21-20-19(12-24-22(20)26-13-25-21)16-7-4-6-15(3)10-16/h4-13H,1H2,2-3H3,(H,27,28)(H,24,25,26)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153181
PNG
(US8993756, 4-26)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(C)cc(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-5-27-20(26)15-9-21-18-16(15)17(22-10-23-18)13-6-12(4)7-14(8-13)24-19(25)11(2)3/h6-10H,2,5H2,1,3-4H3,(H,24,25)(H,21,22,23)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153169
PNG
(US8993756, 4-12)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C=C)c3C)c12
Show InChI InChI=1S/C19H18N4O3/c1-4-15(24)23-14-8-6-7-12(11(14)3)17-16-13(19(25)26-5-2)9-20-18(16)22-10-21-17/h4,6-10H,1,5H2,2-3H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153195
PNG
(US8993756, 5-6)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(Cl)=C)c3)c12
Show InChI InChI=1S/C18H15ClN4O3/c1-3-26-18(25)13-8-20-16-14(13)15(21-9-22-16)11-5-4-6-12(7-11)23-17(24)10(2)19/h4-9H,2-3H2,1H3,(H,23,24)(H,20,21,22)
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Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153178
PNG
(US8993756, 4-23)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc4ccn(C(=O)C(C)=C)c4c3)c12
Show InChI InChI=1S/C21H18N4O3/c1-4-28-21(27)15-10-22-19-17(15)18(23-11-24-19)14-6-5-13-7-8-25(16(13)9-14)20(26)12(2)3/h5-11H,2,4H2,1,3H3,(H,22,23,24)
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n/an/a 0.340n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153211
PNG
(US8993756, 11-1)
Show SMILES COC(=O)c1c[nH]c2ncnc(-c3ccc(F)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H15FN4O3/c1-9(2)17(24)23-13-6-10(4-5-12(13)19)15-14-11(18(25)26-3)7-20-16(14)22-8-21-15/h4-8H,1H2,2-3H3,(H,23,24)(H,20,21,22)
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n/an/a 0.400n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153188
PNG
(US8993756, 4-33)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3c[nH]c(=O)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C18H17N5O4/c1-4-27-18(26)11-7-19-15-13(11)14(21-8-22-15)10-5-12(17(25)20-6-10)23-16(24)9(2)3/h5-8H,2,4H2,1,3H3,(H,20,25)(H,23,24)(H,19,21,22)
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n/an/a 0.470n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153221
PNG
(US8993756, 20-2)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3cccc(F)c3)c12
Show InChI InChI=1S/C22H17FN4O/c1-13(2)22(28)27-17-8-4-6-15(10-17)20-19-18(11-24-21(19)26-12-25-20)14-5-3-7-16(23)9-14/h3-12H,1H2,2H3,(H,27,28)(H,24,25,26)
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n/an/a 0.590n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153165
PNG
(US8993756, 4-8)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CC)c3)c12
Show InChI InChI=1S/C20H20N4O3/c1-4-12(3)19(25)24-14-8-6-7-13(9-14)17-16-15(20(26)27-5-2)10-21-18(16)23-11-22-17/h6-11H,3-5H2,1-2H3,(H,24,25)(H,21,22,23)
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n/an/a 0.610n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153206
PNG
(US8993756, 5-41)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cccc(NC(=O)C(=C)CN4CCOCC4)c3)c12
Show InChI InChI=1S/C23H25N5O4/c1-3-32-23(30)18-12-24-21-19(18)20(25-14-26-21)16-5-4-6-17(11-16)27-22(29)15(2)13-28-7-9-31-10-8-28/h4-6,11-12,14H,2-3,7-10,13H2,1H3,(H,27,29)(H,24,25,26)
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n/an/a 0.660n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153187
PNG
(US8993756, 4-32)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cnc(OC)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C19H19N5O4/c1-5-28-19(26)12-8-20-16-14(12)15(22-9-23-16)11-6-13(18(27-4)21-7-11)24-17(25)10(2)3/h6-9H,2,5H2,1,3-4H3,(H,24,25)(H,20,22,23)
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n/an/a 0.680n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153222
PNG
(US8993756, 20-3)
Show SMILES CC(=C)C(=O)Nc1cccc(c1)-c1ncnc2[nH]cc(-c3ccccc3F)c12
Show InChI InChI=1S/C22H17FN4O/c1-13(2)22(28)27-15-7-5-6-14(10-15)20-19-17(11-24-21(19)26-12-25-20)16-8-3-4-9-18(16)23/h3-12H,1H2,2H3,(H,27,28)(H,24,25,26)
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n/an/a 0.960n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153189
PNG
(US8993756, 4-34)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3cc(NC(=O)C(C)=C)c(=O)n(C)c3)c12
Show InChI InChI=1S/C19H19N5O4/c1-5-28-19(27)12-7-20-16-14(12)15(21-9-22-16)11-6-13(18(26)24(4)8-11)23-17(25)10(2)3/h6-9H,2,5H2,1,3-4H3,(H,23,25)(H,20,21,22)
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n/an/a 1.10n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153236
PNG
(US8993756, 33-3)
Show SMILES COc1ccc(F)cc1-c1c[nH]c2ncnc(-c3ccccc3)c12
Show InChI InChI=1S/C19H14FN3O/c1-24-16-8-7-13(20)9-14(16)15-10-21-19-17(15)18(22-11-23-19)12-5-3-2-4-6-12/h2-11H,1H3,(H,21,22,23)
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n/an/a 1.40n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3


(Homo sapiens (Human))
BDBM153185
PNG
(US8993756, 4-30)
Show SMILES CCOC(=O)c1c[nH]c2ncnc(-c3ccc(CN(C)C)c(NC(=O)C(C)=C)c3)c12
Show InChI InChI=1S/C22H25N5O3/c1-6-30-22(29)16-10-23-20-18(16)19(24-12-25-20)14-7-8-15(11-27(4)5)17(9-14)26-21(28)13(2)3/h7-10,12H,2,6,11H2,1,3-5H3,(H,26,28)(H,23,24,25)
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n/an/a 1.5n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


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


US Patent US8993756 (2015)


BindingDB Entry DOI: 10.7270/Q2VQ31DJ
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%