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Patent code US9957264

Compile Data Set for Download or QSAR

Found 938 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))
BDBM391013
PNG
(4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1
Show InChI InChI=1/C22H25FN6O3S/c1-28(2)33(31,32)16-8-6-15(7-9-16)26-20-19-17(10-14-25-21(19)30)29(27-20)22(12-13-24)11-4-3-5-18(22)23/h6-10,14,18H,3-5,11-12H2,1-2H3,(H,25,30)(H,26,27)/t18-,22-/s2
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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 JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...


US Patent US9957264 (2018)

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


(Homo sapiens (Human))
BDBM390961
PNG
((2S,5S and 2R,5R)-methyl 5-(cyanomethyl)-5-(3-((4...)
Show SMILES COC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
Show InChI InChI=1/C22H23N5O6S/c1-32-21(29)17-7-9-22(10-11-23,13-33-17)27-16-8-12-24-20(28)18(16)19(26-27)25-14-3-5-15(6-4-14)34(2,30)31/h3-6,8,12,17H,7,9-10,13H2,1-2H3,(H,24,28)(H,25,26)/t17-,22-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391314
PNG
(Trans 2-(1-(3-((4- chlorophenyl)amino)-4-oxo- 4,5-...)
Show SMILES COC1CN(C1)[C@H]1CC[C@@](CC#N)(CC1)n1nc(Nc2ccc(Cl)cc2)c2c1cc[nH]c2=O
Show InChI InChI=1/C24H27ClN6O2/c1-33-19-14-30(15-19)18-6-9-24(10-7-18,11-12-26)31-20-8-13-27-23(32)21(20)22(29-31)28-17-4-2-16(25)3-5-17/h2-5,8,13,18-19H,6-7,9-11,14-15H2,1H3,(H,27,32)(H,28,29)/t18-,24-
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391195
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H26F4N6O2/c26-19-15-37-14-10-23(19,9-11-30)35-18-7-13-31-22(36)20(18)21(34-35)33-17-5-3-16(4-6-17)24(25(27,28)29)8-1-2-12-32-24/h3-7,13,19,32H,1-2,8-10,12,14-15H2,(H,31,36)(H,33,34)/t19-,23+,24+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391050
PNG
(2-(1-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCCC3)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O3S/c1-23(2,3)29-15-16-14-17(6-7-19(16)34(29,32)33)27-21-20-18(8-13-26-22(20)31)30(28-21)24(11-12-25)9-4-5-10-24/h6-8,13-14H,4-5,9-11,15H2,1-3H3,(H,26,31)(H,27,28)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391366
PNG
(US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...)
Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12
Show InChI InChI=1/C24H25FN6O2/c1-23(2)15-7-6-14(13-16(15)29-22(23)33)28-20-19-17(8-12-27-21(19)32)31(30-20)24(10-11-26)9-4-3-5-18(24)25/h6-8,12-13,18H,3-5,9-10H2,1-2H3,(H,27,32)(H,28,30)(H,29,33)/t18-,24-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391016
PNG
(US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1
Show InChI InChI=1/C23H26FN5O3S/c1-15(2)33(31,32)17-8-6-16(7-9-17)27-21-20-18(10-14-26-22(20)30)29(28-21)23(12-13-25)11-4-3-5-19(23)24/h6-10,14-15,19H,3-5,11-12H2,1-2H3,(H,26,30)(H,27,28)/t19-,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391107
PNG
(US9957264, Example 5-178 | [(3S)-3-{3-[(2-tert-but...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCCOC3)ccc2S1(=O)=O
Show InChI InChI=1/C24H28N6O4S/c1-23(2,3)29-14-16-13-17(5-6-19(16)35(29,32)33)27-21-20-18(7-11-26-22(20)31)30(28-21)24(9-10-25)8-4-12-34-15-24/h5-7,11,13H,4,8-9,12,14-15H2,1-3H3,(H,26,31)(H,27,28)/t24-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391188
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O
Show InChI InChI=1/C25H27FN6O3/c1-24(2,3)31-13-15-12-16(4-5-17(15)23(31)34)29-21-20-18(6-10-28-22(20)33)32(30-21)25(7-9-27)8-11-35-14-19(25)26/h4-6,10,12,19H,7-8,11,13-14H2,1-3H3,(H,28,33)(H,29,30)/t19-,25+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391295
PNG
(6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391338
PNG
(Trans 2-(4-(3-Fluoroazetidin- 1-yl)-1-(3-((2-methy...)
Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CC[C@@H](CC3)N3CC(F)C3)ccc2S1(=O)=O
Show InChI InChI=1/C25H28FN7O3S/c1-31-13-16-12-18(2-3-21(16)37(31,35)36)29-23-22-20(6-11-28-24(22)34)33(30-23)25(9-10-27)7-4-19(5-8-25)32-14-17(26)15-32/h2-3,6,11-12,17,19H,4-5,7-9,13-15H2,1H3,(H,28,34)(H,29,30)/t19-,25-
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391348
PNG
((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...)
Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C28H34N6O6S/c1-17(2)40-26(36)21-8-10-28(11-12-29,16-39-21)34-20-9-13-30-25(35)23(20)24(32-34)31-19-6-7-22-18(14-19)15-33(27(3,4)5)41(22,37)38/h6-7,9,13-14,17,21H,8,10-11,15-16H2,1-5H3,(H,30,35)(H,31,32)/t21-,28-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391185
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O
Show InChI InChI=1/C24H27FN6O4S/c1-23(2,3)30-13-15-12-16(4-5-18(15)36(30,33)34)28-21-20-17(6-10-27-22(20)32)31(29-21)24(7-9-26)8-11-35-14-19(24)25/h4-6,10,12,19H,7-8,11,13-14H2,1-3H3,(H,27,32)(H,28,29)/t19-,24+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391194
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H26F4N6O2/c26-19-15-37-14-10-23(19,9-11-30)35-18-7-13-31-22(36)20(18)21(34-35)33-17-5-3-16(4-6-17)24(25(27,28)29)8-1-2-12-32-24/h3-7,13,19,32H,1-2,8-10,12,14-15H2,(H,31,36)(H,33,34)/t19-,23+,24-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391295
PNG
(6-(4-(cyanomethyl)-4-(3- ((4(methylsulfonyl) pheny...)
Show SMILES CS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)c2ccc(cn2)C#N)cc1
Show InChI InChI=1S/C26H24N8O3S/c1-38(36,37)20-5-3-19(4-6-20)31-24-23-21(8-13-29-25(23)35)34(32-24)26(9-12-27)10-14-33(15-11-26)22-7-2-18(16-28)17-30-22/h2-8,13,17H,9-11,14-15H2,1H3,(H,29,35)(H,31,32)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391366
PNG
(US9957264, Example 21-2 | [(1R,2R)-1-{3-[(3,3- dim...)
Show SMILES CC1(C)C(=O)Nc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@@]3(CC#N)CCCC[C@H]3F)ccc12
Show InChI InChI=1/C24H25FN6O2/c1-23(2)15-7-6-14(13-16(15)29-22(23)33)28-20-19-17(8-12-27-21(19)32)31(30-20)24(10-11-26)9-4-3-5-18(24)25/h6-8,12-13,18H,3-5,9-10H2,1-2H3,(H,27,32)(H,28,30)(H,29,33)/t18-,24-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391023
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4-(N- m...)
Show SMILES CNS(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CC[C@H](OC2)C(=O)OC(C)(C)C)cc1
Show InChI InChI=1/C25H30N6O6S/c1-24(2,3)37-23(33)19-9-11-25(12-13-26,15-36-19)31-18-10-14-28-22(32)20(18)21(30-31)29-16-5-7-17(8-6-16)38(34,35)27-4/h5-8,10,14,19,27H,9,11-12,15H2,1-4H3,(H,28,32)(H,29,30)/t19-,25-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391206
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C27H29F4N7O4S/c28-22-15-42-12-7-26(22,6-8-32)38-20-3-9-33-25(39)23(20)24(35-38)34-18-1-2-21-17(13-18)14-37(43(21,40)41)19-4-10-36(11-5-19)16-27(29,30)31/h1-3,9,13,19,22H,4-7,10-12,14-16H2,(H,33,39)(H,34,35)/t22-,26+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391188
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1-oxois...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2C1=O
Show InChI InChI=1/C25H27FN6O3/c1-24(2,3)31-13-15-12-16(4-5-17(15)23(31)34)29-21-20-18(6-10-28-22(20)33)32(30-21)25(7-9-27)8-11-35-14-19(25)26/h4-6,10,12,19H,7-8,11,13-14H2,1-3H3,(H,28,33)(H,29,30)/t19-,25+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391195
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((R o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H26F4N6O2/c26-19-15-37-14-10-23(19,9-11-30)35-18-7-13-31-22(36)20(18)21(34-35)33-17-5-3-16(4-6-17)24(25(27,28)29)8-1-2-12-32-24/h3-7,13,19,32H,1-2,8-10,12,14-15H2,(H,31,36)(H,33,34)/t19-,23+,24+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391206
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(1-(2,2,...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCN(CC(F)(F)F)CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C27H29F4N7O4S/c28-22-15-42-12-7-26(22,6-8-32)38-20-3-9-33-25(39)23(20)24(35-38)34-18-1-2-21-17(13-18)14-37(43(21,40)41)19-4-10-36(11-5-19)16-27(29,30)31/h1-3,9,13,19,22H,4-7,10-12,14-16H2,(H,33,39)(H,34,35)/t22-,26+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391016
PNG
(US9957264, Example 5-87 | {(1R,2R)-2-fluoro-1-[3- ...)
Show SMILES CC(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1
Show InChI InChI=1/C23H26FN5O3S/c1-15(2)33(31,32)17-8-6-16(7-9-17)27-21-20-18(10-14-26-22(20)30)29(28-21)23(12-13-25)11-4-3-5-19(23)24/h6-10,14-15,19H,3-5,11-12H2,1-2H3,(H,26,30)(H,27,28)/t19-,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391028
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((4- (cyc...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(=O)(=O)C2CC2)c2c1cc[nH]c2=O
Show InChI InChI=1/C27H31N5O6S/c1-26(2,3)38-25(34)21-10-12-27(13-14-28,16-37-21)32-20-11-15-29-24(33)22(20)23(31-32)30-17-4-6-18(7-5-17)39(35,36)19-8-9-19/h4-7,11,15,19,21H,8-10,12-13,16H2,1-3H3,(H,29,33)(H,30,31)/t21-,27-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391194
PNG
(2-((3R,4R or 3S,4S)-3-fluoro- 4-(4-oxo-3-((4-((S o...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc(cc2)[C@@]2(CCCCN2)C(F)(F)F)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H26F4N6O2/c26-19-15-37-14-10-23(19,9-11-30)35-18-7-13-31-22(36)20(18)21(34-35)33-17-5-3-16(4-6-17)24(25(27,28)29)8-1-2-12-32-24/h3-7,13,19,32H,1-2,8-10,12,14-15H2,(H,31,36)(H,33,34)/t19-,23+,24-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM390984
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((2- meth...)
Show SMILES CN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CC[C@H](OC3)C(=O)OC(C)(C)C)ccc2S1(=O)=O
Show InChI InChI=1/C26H30N6O6S/c1-25(2,3)38-24(34)19-7-9-26(10-11-27,15-37-19)32-18-8-12-28-23(33)21(18)22(30-32)29-17-5-6-20-16(13-17)14-31(4)39(20,35)36/h5-6,8,12-13,19H,7,9-10,14-15H2,1-4H3,(H,28,33)(H,29,30)/t19-,26-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391013
PNG
(4-({1-[(1R,2R))-1- (cyanomethyl)-2- fluorocyclohex...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1
Show InChI InChI=1/C22H25FN6O3S/c1-28(2)33(31,32)16-8-6-15(7-9-16)26-20-19-17(10-14-25-21(19)30)29(27-20)22(12-13-24)11-4-3-5-18(22)23/h6-10,14,18H,3-5,11-12H2,1-2H3,(H,25,30)(H,26,27)/t18-,22-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391105
PNG
(US9957264, Example 5-176 | US9957264, Example 5-17...)
Show SMILES NC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C22H22F4N6O/c23-16-3-1-2-9-21(16,10-11-27)32-15-8-12-29-20(33)17(15)19(31-32)30-14-6-4-13(5-7-14)18(28)22(24,25)26/h4-8,12,16,18H,1-3,9-10,28H2,(H,29,33)(H,30,31)/t16-,18?,21-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391334
PNG
(Trans 2-(1-(3-((4- ((difluoromethyl)sulfonyl) phen...)
Show SMILES FC(F)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CC[C@@H](CC2)N2CC(F)C2)cc1
Show InChI InChI=1/C24H25F3N6O3S/c25-15-13-32(14-15)17-5-8-24(9-6-17,10-11-28)33-19-7-12-29-22(34)20(19)21(31-33)30-16-1-3-18(4-2-16)37(35,36)23(26)27/h1-4,7,12,15,17,23H,5-6,8-10,13-14H2,(H,29,34)(H,30,31)/t17-,24-
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391104
PNG
(US9957264, Example 5-175 | [(1R,2R)-2-fluoro-1-{3-...)
Show SMILES CC(C)NC(C)(C)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1
Show InChI InChI=1/C26H33FN6O/c1-17(2)31-25(3,4)18-8-10-19(11-9-18)30-23-22-20(12-16-29-24(22)34)33(32-23)26(14-15-28)13-6-5-7-21(26)27/h8-12,16-17,21,31H,5-7,13-14H2,1-4H3,(H,29,34)(H,30,32)/t21-,26-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391180
PNG
(2-(4-(3-((2-(tert-butyl)- 1,1-dioxido-2,3- dihydro...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCOCC3)ccc2S1(=O)=O
Show InChI InChI=1S/C24H28N6O4S/c1-23(2,3)29-15-16-14-17(4-5-19(16)35(29,32)33)27-21-20-18(6-11-26-22(20)31)30(28-21)24(7-10-25)8-12-34-13-9-24/h4-6,11,14H,7-9,12-13,15H2,1-3H3,(H,26,31)(H,27,28)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391293
PNG
(4-((1-(4-(cyanomethyl)-1- (cyclopropylsulfonyl)pip...)
Show SMILES CN(C)S(=O)(=O)c1ccc(Nc2nn(c3cc[nH]c(=O)c23)C2(CC#N)CCN(CC2)S(=O)(=O)C2CC2)cc1
Show InChI InChI=1S/C24H29N7O5S2/c1-29(2)37(33,34)18-5-3-17(4-6-18)27-22-21-20(9-14-26-23(21)32)31(28-22)24(10-13-25)11-15-30(16-12-24)38(35,36)19-7-8-19/h3-6,9,14,19H,7-8,10-12,15-16H2,1-2H3,(H,26,32)(H,27,28)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391003
PNG
(US9957264, Example 5-74 | methyl 4-(cyanomethyl)-4...)
Show SMILES COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(CC4CC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1S/C26H29N7O5S/c1-38-25(35)31-12-8-26(7-10-27,9-13-31)33-20-6-11-28-24(34)22(20)23(30-33)29-19-4-5-21-18(14-19)16-32(39(21,36)37)15-17-2-3-17/h4-6,11,14,17H,2-3,7-9,12-13,15-16H2,1H3,(H,28,34)(H,29,30)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391287
PNG
(1-cyanoethyl 4- (cyanomethyl)-4-(3-((4- (N,N-dimet...)
Show SMILES CC(OC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc(cc2)S(=O)(=O)N(C)C)c2c1cc[nH]c2=O)C#N
Show InChI InChI=1/C25H28N8O5S/c1-17(16-27)38-24(35)32-14-10-25(9-12-26,11-15-32)33-20-8-13-28-23(34)21(20)22(30-33)29-18-4-6-19(7-5-18)39(36,37)31(2)3/h4-8,13,17H,9-11,14-15H2,1-3H3,(H,28,34)(H,29,30)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM390965
PNG
((2S,5S and 2R,5R)-tert-butyl 5-(cyanomethyl)-5-(3-...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)S(C)(=O)=O)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H29N5O6S/c1-24(2,3)36-23(32)19-9-11-25(12-13-26,15-35-19)30-18-10-14-27-22(31)20(18)21(29-30)28-16-5-7-17(8-6-16)37(4,33)34/h5-8,10,14,19H,9,11-12,15H2,1-4H3,(H,27,31)(H,28,29)/t19-,25-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391348
PNG
((2S,5S)-isopropyl 5-(3-((2- (tert-butyl)-1,1-dioxi...)
Show SMILES CC(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(CN(C(C)(C)C)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C28H34N6O6S/c1-17(2)40-26(36)21-8-10-28(11-12-29,16-39-21)34-20-9-13-30-25(35)23(20)24(32-34)31-19-6-7-22-18(14-19)15-33(27(3,4)5)41(22,37)38/h6-7,9,13-14,17,21H,8,10-11,15-16H2,1-5H3,(H,30,35)(H,31,32)/t21-,28-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C24H26F4N6O/c1-2-30-20(24(26,27)28)15-6-8-16(9-7-15)32-21-19-17(10-14-31-22(19)35)34(33-21)23(12-13-29)11-4-3-5-18(23)25/h6-10,14,18,20,30H,2-5,11-12H2,1H3,(H,31,35)(H,32,33)/t18-,20?,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391001
PNG
(US9957264, Example 5-72 | methyl 4-{3-[(2-ethyl-1,...)
Show SMILES CCN1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)C3(CC#N)CCN(CC3)C(=O)OC)ccc2S1(=O)=O
Show InChI InChI=1S/C24H27N7O5S/c1-3-30-15-16-14-17(4-5-19(16)37(30,34)35)27-21-20-18(6-11-26-22(20)32)31(28-21)24(7-10-25)8-12-29(13-9-24)23(33)36-2/h4-6,11,14H,3,7-9,12-13,15H2,1-2H3,(H,26,32)(H,27,28)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C24H26F4N6O/c1-2-30-20(24(26,27)28)15-6-8-16(9-7-15)32-21-19-17(10-14-31-22(19)35)34(33-21)23(12-13-29)11-4-3-5-18(23)25/h6-10,14,18,20,30H,2-5,11-12H2,1H3,(H,31,35)(H,32,33)/t18-,20?,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391185
PNG
(2-((3R,4R or 3S,4S)-4-(3-((2- (tert-butyl)-1,1-dio...)
Show SMILES CC(C)(C)N1Cc2cc(Nc3nn(c4cc[nH]c(=O)c34)[C@]3(CC#N)CCOC[C@@H]3F)ccc2S1(=O)=O
Show InChI InChI=1/C24H27FN6O4S/c1-23(2,3)30-13-15-12-16(4-5-18(15)36(30,33)34)28-21-20-17(6-10-27-22(20)32)31(29-21)24(7-9-26)8-11-35-14-19(24)25/h4-6,10,12,19H,7-8,11,13-14H2,1-3H3,(H,27,32)(H,28,29)/t19-,24+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391201
PNG
(2-((3R,4R or 3S,4S)-4-(3- ((1,1-dioxido-2-(piperid...)
Show SMILES F[C@H]1COCC[C@@]1(CC#N)n1nc(Nc2ccc3c(CN(C4CCNCC4)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C25H28FN7O4S/c26-21-15-37-12-7-25(21,6-8-27)33-19-5-11-29-24(34)22(19)23(31-33)30-17-1-2-20-16(13-17)14-32(38(20,35)36)18-3-9-28-10-4-18/h1-2,5,11,13,18,21,28H,3-4,6-7,9-10,12,14-15H2,(H,29,34)(H,30,31)/t21-,25+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391187
PNG
(2-((3R,4R or 3S,4S)-3- fluoro-4-(3-((3-methyl-4- (...)
Show SMILES Cc1cc(Nc2nn(c3cc[nH]c(=O)c23)[C@]2(CC#N)CCOC[C@@H]2F)ccc1C(=O)N1CCOCC1
Show InChI InChI=1/C25H27FN6O4/c1-16-14-17(2-3-18(16)24(34)31-9-12-35-13-10-31)29-22-21-19(4-8-28-23(21)33)32(30-22)25(5-7-27)6-11-36-15-20(25)26/h2-4,8,14,20H,5-6,9-13,15H2,1H3,(H,28,33)(H,29,30)/t20-,25+/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391024
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(4- oxo-3-((...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3C(=O)N(CC(F)(F)F)Cc3c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C28H29F3N6O5/c1-26(2,3)42-25(40)20-6-8-27(9-10-32,15-41-20)37-19-7-11-33-23(38)21(19)22(35-37)34-17-4-5-18-16(12-17)13-36(24(18)39)14-28(29,30)31/h4-5,7,11-12,20H,6,8-9,13-15H2,1-3H3,(H,33,38)(H,34,35)/t20-,27-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391032
PNG
((2S,5S)-tert-butyl 5-(3- ((4-(1-amino-2,2,2- trifl...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc(cc2)C(N)C(F)(F)F)c2c1cc[nH]c2=O
Show InChI InChI=1/C26H29F3N6O4/c1-24(2,3)39-23(37)18-8-10-25(11-12-30,14-38-18)35-17-9-13-32-22(36)19(17)21(34-35)33-16-6-4-15(5-7-16)20(31)26(27,28)29/h4-7,9,13,18,20H,8,10-11,14,31H2,1-3H3,(H,32,36)(H,33,34)/t18-,20?,25-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391014
PNG
(US9957264, Example 5-85 | US9957264, Example 5-86 ...)
Show SMILES CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C23H23F4N5O2/c1-21(34,23(25,26)27)14-5-7-15(8-6-14)30-19-18-16(9-13-29-20(18)33)32(31-19)22(11-12-28)10-3-2-4-17(22)24/h5-9,13,17,34H,2-4,10-11H2,1H3,(H,29,33)(H,30,31)/t17-,21?,22-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391144
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(4-oxo-3- (q...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3ncccc3c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C27H28N6O4/c1-26(2,3)37-25(35)21-8-10-27(11-12-28,16-36-21)33-20-9-14-30-24(34)22(20)23(32-33)31-18-6-7-19-17(15-18)5-4-13-29-19/h4-7,9,13-15,21H,8,10-11,16H2,1-3H3,(H,30,34)(H,31,32)/t21-,27-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM390999
PNG
(US9957264, Example 5-70 | methyl 4-(cyanomethyl)-4...)
Show SMILES COC(=O)N1CCC(CC#N)(CC1)n1nc(Nc2ccc3c(CN(C)S3(=O)=O)c2)c2c1cc[nH]c2=O
Show InChI InChI=1S/C23H25N7O5S/c1-28-14-15-13-16(3-4-18(15)36(28,33)34)26-20-19-17(5-10-25-21(19)31)30(27-20)23(6-9-24)7-11-29(12-8-23)22(32)35-2/h3-5,10,13H,6-8,11-12,14H2,1-2H3,(H,25,31)(H,26,27)
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C24H26F4N6O/c1-2-30-20(24(26,27)28)15-6-8-16(9-7-15)32-21-19-17(10-14-31-22(19)35)34(33-21)23(12-13-29)11-4-3-5-18(23)25/h6-10,14,18,20,30H,2-5,11-12H2,1H3,(H,31,35)(H,32,33)/t18-,20?,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391102
PNG
(US9957264, Example 5-173 | US9957264, Example 5-17...)
Show SMILES CCNC(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C24H26F4N6O/c1-2-30-20(24(26,27)28)15-6-8-16(9-7-15)32-21-19-17(10-14-31-22(19)35)34(33-21)23(12-13-29)11-4-3-5-18(23)25/h6-10,14,18,20,30H,2-5,11-12H2,1H3,(H,31,35)(H,32,33)/t18-,20?,23-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391367
PNG
((2S,5S)-tert-butyl 5- (cyanomethyl)-5-(3-((3,3- di...)
Show SMILES CC(C)(C)OC(=O)[C@@H]1CC[C@](CC#N)(CO1)n1nc(Nc2ccc3c(NC(=O)C3(C)C)c2)c2c1cc[nH]c2=O
Show InChI InChI=1/C28H32N6O5/c1-26(2,3)39-24(36)20-8-10-28(11-12-29,15-38-20)34-19-9-13-30-23(35)21(19)22(33-34)31-16-6-7-17-18(14-16)32-25(37)27(17,4)5/h6-7,9,13-14,20H,8,10-11,15H2,1-5H3,(H,30,35)(H,31,33)(H,32,37)/t20-,28-/s2
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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 US9957264 (2018)

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


(Homo sapiens (Human))
BDBM391014
PNG
(US9957264, Example 5-85 | US9957264, Example 5-86 ...)
Show SMILES CC(O)(c1ccc(Nc2nn(c3cc[nH]c(=O)c23)[C@@]2(CC#N)CCCC[C@H]2F)cc1)C(F)(F)F
Show InChI InChI=1/C23H23F4N5O2/c1-21(34,23(25,26)27)14-5-7-15(8-6-14)30-19-18-16(9-13-29-20(18)33)32(31-19)22(11-12-28)10-3-2-4-17(22)24/h5-9,13,17,34H,2-4,10-11H2,1H3,(H,29,33)(H,30,31)/t17-,21?,22-/s2
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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 US9957264 (2018)

More data for this
Ligand-Target Pair
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