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Patent code US9475813

Compile Data Set for Download or QSAR

Found 268 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))
BDBM254982
PNG
(US9475813, 38)
Show SMILES CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H27N5O3S/c1-23-13-25(18-16-7-8-21-19(16)22-11-17(18)20(23)26)15-5-3-14(4-6-15)12-24-9-2-10-29(24,27)28/h7-8,11,14-15H,2-6,9-10,12-13H2,1H3,(H,21,22)/t14-,15-
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US Patent
n/an/a 0.380n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254980
PNG
(US9475813, 36)
Show SMILES CN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H24F3N5O3S/c1-26-11-27(16-14-6-7-23-17(14)24-9-15(16)18(26)28)13-4-2-12(3-5-13)8-25-31(29,30)10-19(20,21)22/h6-7,9,12-13,25H,2-5,8,10-11H2,1H3,(H,23,24)/t12-,13-
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n/an/a 0.420n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254982
PNG
(US9475813, 38)
Show SMILES CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H27N5O3S/c1-23-13-25(18-16-7-8-21-19(16)22-11-17(18)20(23)26)15-5-3-14(4-6-15)12-24-9-2-10-29(24,27)28/h7-8,11,14-15H,2-6,9-10,12-13H2,1H3,(H,21,22)/t14-,15-
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n/an/a 0.620n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254981
PNG
(US9475813, 37)
Show SMILES CN1CN([C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C18H25N5O3S/c1-22-11-23(13-5-3-12(4-6-13)9-21-27(2,25)26)16-14-7-8-19-17(14)20-10-15(16)18(22)24/h7-8,10,12-13,21H,3-6,9,11H2,1-2H3,(H,19,20)/t12-,13-
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n/an/a 0.650n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255032
PNG
(US9475813, 53)
Show SMILES CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H25N5O2/c1-24-13-25(15-5-3-14(4-6-15)12-27-10-2-8-21)18-16-7-9-22-19(16)23-11-17(18)20(24)26/h7,9,11,14-15H,2-6,10,12-13H2,1H3,(H,22,23)/t14-,15-
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n/an/a 0.850n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254979
PNG
(US9475813, 2)
Show SMILES FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H22BrF2N5O/c19-18(20,21)9-22-7-11-1-3-12(4-2-11)26-10-25-17(27)14-8-24-16-13(15(14)26)5-6-23-16/h5-6,8,11-12,22H,1-4,7,9-10H2,(H,23,24)(H,25,27)/t11-,12-
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n/an/a 0.880n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255001
PNG
(US9475813, 6)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C19H24F3N5O3S/c1-31(29,30)25-8-12-2-4-13(5-3-12)27-11-26(10-19(20,21)22)18(28)15-9-24-17-14(16(15)27)6-7-23-17/h6-7,9,12-13,25H,2-5,8,10-11H2,1H3,(H,23,24)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254995
PNG
(US9475813, 51)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F
Show InChI InChI=1S/C21H25F3N6O/c1-28(12-21(22,23)24)11-14-2-4-15(5-3-14)30-13-29(9-7-25)20(31)17-10-27-19-16(18(17)30)6-8-26-19/h6,8,10,14-15H,2-5,9,11-13H2,1H3,(H,26,27)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254988
PNG
(US9475813, 44)
Show SMILES O=C1N(CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c1cnc1[nH]ccc21)C1CC1
Show InChI InChI=1S/C22H29N5O3S/c28-22-19-12-24-21-18(8-9-23-21)20(19)26(14-27(22)17-6-7-17)16-4-2-15(3-5-16)13-25-10-1-11-31(25,29)30/h8-9,12,15-17H,1-7,10-11,13-14H2,(H,23,24)/t15-,16-
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n/an/a 1.40n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254996
PNG
(US9475813, 66)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F
Show InChI InChI=1S/C19H24F3N5O/c1-26(10-19(20,21)22)9-12-2-4-13(5-3-12)27-11-25-18(28)15-8-24-17-14(16(15)27)6-7-23-17/h6-8,12-13H,2-5,9-11H2,1H3,(H,23,24)(H,25,28)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255002
PNG
(US9475813, 7)
Show SMILES FC(F)(F)CN1CN([C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H26F3N5O3S/c22-21(23,24)11-28-12-29(18-16-7-8-25-19(16)26-10-17(18)20(28)30)14-3-1-13(2-4-14)9-27-33(31,32)15-5-6-15/h7-8,10,13-15,27H,1-6,9,11-12H2,(H,25,26)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255010
PNG
(US9475813, 15)
Show SMILES FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C20H24F3N5O/c21-20(22,23)19(6-7-19)27-9-12-1-3-13(4-2-12)28-11-26-18(29)15-10-25-17-14(16(15)28)5-8-24-17/h5,8,10,12-13,27H,1-4,6-7,9,11H2,(H,24,25)(H,26,29)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254984
PNG
(US9475813, 40)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F
Show InChI InChI=1S/C20H26F3N5O/c1-26(11-20(21,22)23)10-13-3-5-14(6-4-13)28-12-27(2)19(29)16-9-25-18-15(17(16)28)7-8-24-18/h7-9,13-14H,3-6,10-12H2,1-2H3,(H,24,25)/t13-,14-
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n/an/a 1.5n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255034
PNG
(US9475813, 55)
Show SMILES CN1CN([C@H]2CC[C@H](CNC3(CC3)C(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H26F3N5O/c1-28-12-29(17-15-6-9-25-18(15)26-11-16(17)19(28)30)14-4-2-13(3-5-14)10-27-20(7-8-20)21(22,23)24/h6,9,11,13-14,27H,2-5,7-8,10,12H2,1H3,(H,25,26)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254980
PNG
(US9475813, 36)
Show SMILES CN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H24F3N5O3S/c1-26-11-27(16-14-6-7-23-17(14)24-9-15(16)18(26)28)13-4-2-12(3-5-13)8-25-31(29,30)10-19(20,21)22/h6-7,9,12-13,25H,2-5,8,10-11H2,1H3,(H,23,24)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254987
PNG
(US9475813, 43)
Show SMILES CS(=O)(=O)NC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C20H27N5O3S/c1-29(27,28)23-10-13-2-4-14(5-3-13)24-12-25(15-6-7-15)20(26)17-11-22-19-16(18(17)24)8-9-21-19/h8-9,11,13-15,23H,2-7,10,12H2,1H3,(H,21,22)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255038
PNG
(US9475813, 59)
Show SMILES FC(F)(F)C1(CC1)NC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)21(6-7-21)29-11-14-1-3-15(4-2-14)31-13-30(10-8-26)20(32)17-12-28-19-16(18(17)31)5-9-27-19/h5,9,12,14-15,29H,1-4,6-7,10-11,13H2,(H,27,28)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254990
PNG
(US9475813, 46)
Show SMILES CCN1CN([C@H]2CC[C@H](CNS(=O)(=O)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H26F3N5O3S/c1-2-27-12-28(17-15-7-8-24-18(15)25-10-16(17)19(27)29)14-5-3-13(4-6-14)9-26-32(30,31)11-20(21,22)23/h7-8,10,13-14,26H,2-6,9,11-12H2,1H3,(H,24,25)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255032
PNG
(US9475813, 53)
Show SMILES CN1CN([C@H]2CC[C@H](COCCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H25N5O2/c1-24-13-25(15-5-3-14(4-6-15)12-27-10-2-8-21)18-16-7-9-22-19(16)23-11-17(18)20(24)26/h7,9,11,14-15H,2-6,10,12-13H2,1H3,(H,22,23)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255044
PNG
(US9475813, 65)
Show SMILES CN1CN([C@H]2CC[C@H](CN3CC(O)C3)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H27N5O2/c1-23-12-25(14-4-2-13(3-5-14)9-24-10-15(26)11-24)18-16-6-7-21-19(16)22-8-17(18)20(23)27/h6-8,13-15,26H,2-5,9-12H2,1H3,(H,21,22)/t13-,14-
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n/an/a 2n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255011
PNG
(US9475813, 16)
Show SMILES CN1CN([C@H]2CC[C@H](CNCC(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H25F2N5O/c1-25-11-26(13-4-2-12(3-5-13)8-22-10-16(20)21)17-14-6-7-23-18(14)24-9-15(17)19(25)27/h6-7,9,12-13,16,22H,2-5,8,10-11H2,1H3,(H,23,24)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255013
PNG
(US9475813, 18)
Show SMILES CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H24N6O/c1-24-12-25(14-4-2-13(3-5-14)10-21-9-7-20)17-15-6-8-22-18(15)23-11-16(17)19(24)26/h6,8,11,13-14,21H,2-5,9-10,12H2,1H3,(H,22,23)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254979
PNG
(US9475813, 2)
Show SMILES FC(F)(Br)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H22BrF2N5O/c19-18(20,21)9-22-7-11-1-3-12(4-2-11)26-10-25-17(27)14-8-24-16-13(15(14)26)5-6-23-16/h5-6,8,11-12,22H,1-4,7,9-10H2,(H,23,24)(H,25,27)/t11-,12-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254989
PNG
(US9475813, 45)
Show SMILES O=C1NCN([C@H]2CC[C@H](CNCC#N)CC2)c2c1cnc1[nH]ccc21
Show InChI InChI=1S/C18H22N6O/c19-6-8-20-9-12-1-3-13(4-2-12)24-11-23-18(25)15-10-22-17-14(16(15)24)5-7-21-17/h5,7,10,12-13,20H,1-4,8-9,11H2,(H,21,22)(H,23,25)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255007
PNG
(US9475813, 12)
Show SMILES CN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H24F3N5O/c1-26-11-27(13-4-2-12(3-5-13)8-23-10-19(20,21)22)16-14-6-7-24-17(14)25-9-15(16)18(26)28/h6-7,9,12-13,23H,2-5,8,10-11H2,1H3,(H,24,25)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254986
PNG
(US9475813, 42)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C20H23F3N6O/c21-20(22,23)11-25-9-13-1-3-14(4-2-13)29-12-28(8-6-24)19(30)16-10-27-18-15(17(16)29)5-7-26-18/h5,7,10,13-14,25H,1-4,8-9,11-12H2,(H,26,27)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254999
PNG
(US9475813, 4)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H22F3N5O/c19-18(20,21)9-22-7-11-1-3-12(4-2-11)26-10-25-17(27)14-8-24-16-13(15(14)26)5-6-23-16/h5-6,8,11-12,22H,1-4,7,9-10H2,(H,23,24)(H,25,27)/t11-,12-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255023
PNG
(US9475813, 28)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C21H26F3N5O/c22-21(23,24)11-25-9-13-1-3-14(4-2-13)28-12-29(15-5-6-15)20(30)17-10-27-19-16(18(17)28)7-8-26-19/h7-8,10,13-15,25H,1-6,9,11-12H2,(H,26,27)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255014
PNG
(US9475813, 19)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12)S(C)(=O)=O
Show InChI InChI=1S/C19H27N5O3S/c1-22-12-24(14-6-4-13(5-7-14)11-23(2)28(3,26)27)17-15-8-9-20-18(15)21-10-16(17)19(22)25/h8-10,13-14H,4-7,11-12H2,1-3H3,(H,20,21)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254997
PNG
(US9475813, 67)
Show SMILES FC(F)(F)CN1CN([C@H]2CC[C@H](CN3CCCS3(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H26F3N5O3S/c22-21(23,24)12-27-13-29(18-16-6-7-25-19(16)26-10-17(18)20(27)30)15-4-2-14(3-5-15)11-28-8-1-9-33(28,31)32/h6-7,10,14-15H,1-5,8-9,11-13H2,(H,25,26)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255039
PNG
(US9475813, 60)
Show SMILES FC(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C20H24F2N6O/c21-17(22)11-24-9-13-1-3-14(4-2-13)28-12-27(8-6-23)20(29)16-10-26-19-15(18(16)28)5-7-25-19/h5,7,10,13-14,17,24H,1-4,8-9,11-12H2,(H,25,26)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254981
PNG
(US9475813, 37)
Show SMILES CN1CN([C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C18H25N5O3S/c1-22-11-23(13-5-3-12(4-6-13)9-21-27(2,25)26)16-14-7-8-19-17(14)20-10-15(16)18(22)24/h7-8,10,12-13,21H,3-6,9,11H2,1-2H3,(H,19,20)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255009
PNG
(US9475813, 14)
Show SMILES CN1CN([C@H]2CC[C@H](CF)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C17H21FN4O/c1-21-10-22(12-4-2-11(8-18)3-5-12)15-13-6-7-19-16(13)20-9-14(15)17(21)23/h6-7,9,11-12H,2-5,8,10H2,1H3,(H,19,20)/t11-,12-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254984
PNG
(US9475813, 40)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(C)C(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F
Show InChI InChI=1S/C20H26F3N5O/c1-26(11-20(21,22)23)10-13-3-5-14(6-4-13)28-12-27(2)19(29)16-9-25-18-15(17(16)28)7-8-24-18/h7-9,13-14H,3-6,10-12H2,1-2H3,(H,24,25)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255006
PNG
(US9475813, 11)
Show SMILES FC(F)(F)CN1CN([C@H]2CC[C@H](CNCC#N)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H23F3N6O/c21-20(22,23)11-28-12-29(14-3-1-13(2-4-14)9-25-8-6-24)17-15-5-7-26-18(15)27-10-16(17)19(28)30/h5,7,10,13-14,25H,1-4,8-9,11-12H2,(H,26,27)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254985
PNG
(US9475813, 41)
Show SMILES COCN1CN([C@H]2CC[C@H](CN(C)CC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H28F3N5O2/c1-27(11-21(22,23)24)10-14-3-5-15(6-4-14)29-12-28(13-31-2)20(30)17-9-26-19-16(18(17)29)7-8-25-19/h7-9,14-15H,3-6,10-13H2,1-2H3,(H,25,26)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255017
PNG
(US9475813, 22)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CC(F)(F)F)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C20H23F6N5O/c21-19(22,23)9-27-7-12-1-3-13(4-2-12)31-11-30(10-20(24,25)26)18(32)15-8-29-17-14(16(15)31)5-6-28-17/h5-6,8,12-13,27H,1-4,7,9-11H2,(H,28,29)/t12-,13-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255024
PNG
(US9475813, 29)
Show SMILES CCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H26F3N5O/c1-2-27-12-28(14-5-3-13(4-6-14)9-24-11-20(21,22)23)17-15-7-8-25-18(15)26-10-16(17)19(27)29/h7-8,10,13-14,24H,2-6,9,11-12H2,1H3,(H,25,26)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254993
PNG
(US9475813, 49)
Show SMILES CCN1CN([C@H]2CC[C@H](CNS(C)(=O)=O)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C19H27N5O3S/c1-3-23-12-24(14-6-4-13(5-7-14)10-22-28(2,26)27)17-15-8-9-20-18(15)21-11-16(17)19(23)25/h8-9,11,13-14,22H,3-7,10,12H2,1-2H3,(H,20,21)/t13-,14-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255004
PNG
(US9475813, 9)
Show SMILES O=C1N(CN([C@H]2CC[C@H](CNCC#N)CC2)c2c1cnc1[nH]ccc21)C1CC1
Show InChI InChI=1S/C21H26N6O/c22-8-10-23-11-14-1-3-15(4-2-14)26-13-27(16-5-6-16)21(28)18-12-25-20-17(19(18)26)7-9-24-20/h7,9,12,14-16,23H,1-6,10-11,13H2,(H,24,25)/t14-,15-
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Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255022
PNG
(US9475813, 27)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CN(CCCC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C22H27F3N6O/c23-22(24,25)13-27-11-15-3-5-16(6-4-15)31-14-30(10-2-1-8-26)21(32)18-12-29-20-17(19(18)31)7-9-28-20/h7,9,12,15-16,27H,1-6,10-11,13-14H2,(H,28,29)/t15-,16-
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Nissan Chemical Industries, Ltd.

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Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255003
PNG
(US9475813, 8)
Show SMILES OC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H21N5O2/c19-6-8-22-11-23(13-3-1-12(10-24)2-4-13)16-14-5-7-20-17(14)21-9-15(16)18(22)25/h5,7,9,12-13,24H,1-4,8,10-11H2,(H,20,21)/t12-,13-
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n/an/a 3.5n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255000
PNG
(US9475813, 5)
Show SMILES O=C1N(CC#N)CN(C2CCCCC2)c2c1cnc1[nH]ccc21
Show InChI InChI=1S/C17H19N5O/c18-7-9-21-11-22(12-4-2-1-3-5-12)15-13-6-8-19-16(13)20-10-14(15)17(21)23/h6,8,10,12H,1-5,9,11H2,(H,19,20)
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n/an/a 3.5n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255033
PNG
(US9475813, 54)
Show SMILES CN1CN([C@H]2CC[C@H](CNC3(CC3)C#N)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H26N6O/c1-26-13-27(18-16-6-9-23-19(16)24-11-17(18)20(26)28)15-4-2-14(3-5-15)10-25-21(12-22)7-8-21/h6,9,11,14-15,25H,2-5,7-8,10,13H2,1H3,(H,23,24)/t14-,15-
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n/an/a 3.60n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255018
PNG
(US9475813, 23)
Show SMILES COCN1CN([C@H]2CC[C@H](CNCC(F)(F)F)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C20H26F3N5O2/c1-30-12-27-11-28(14-4-2-13(3-5-14)8-24-10-20(21,22)23)17-15-6-7-25-18(15)26-9-16(17)19(27)29/h6-7,9,13-14,24H,2-5,8,10-12H2,1H3,(H,25,26)/t13-,14-
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n/an/a 3.80n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM255027
PNG
(US9475813, 32)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CN(C2CC2)C(=O)c2cnc3[nH]ccc3c12)S(C)(=O)=O
Show InChI InChI=1S/C21H29N5O3S/c1-24(30(2,28)29)12-14-3-5-15(6-4-14)25-13-26(16-7-8-16)21(27)18-11-23-20-17(19(18)25)9-10-22-20/h9-11,14-16H,3-8,12-13H2,1-2H3,(H,22,23)/t14-,15-
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n/an/a 4.10n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254991
PNG
(US9475813, 47)
Show SMILES CCN1CN([C@H]2CC[C@H](CNS(=O)(=O)C3CC3)CC2)c2c(cnc3[nH]ccc23)C1=O
Show InChI InChI=1S/C21H29N5O3S/c1-2-25-13-26(19-17-9-10-22-20(17)23-12-18(19)21(25)27)15-5-3-14(4-6-15)11-24-30(28,29)16-7-8-16/h9-10,12,14-16,24H,2-8,11,13H2,1H3,(H,22,23)/t14-,15-
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n/an/a 4.20n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254992
PNG
(US9475813, 48)
Show SMILES FC[C@H]1CC[C@@H](CC1)N1CN(CC#N)C(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H20FN5O/c19-9-12-1-3-13(4-2-12)24-11-23(8-6-20)18(25)15-10-22-17-14(16(15)24)5-7-21-17/h5,7,10,12-13H,1-4,8-9,11H2,(H,21,22)/t12-,13-
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n/an/a 4.40n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254996
PNG
(US9475813, 66)
Show SMILES CN(C[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12)CC(F)(F)F
Show InChI InChI=1S/C19H24F3N5O/c1-26(10-19(20,21)22)9-12-2-4-13(5-3-12)27-11-25-18(28)15-8-24-17-14(16(15)27)6-7-23-17/h6-8,12-13H,2-5,9-11H2,1H3,(H,23,24)(H,25,28)/t12-,13-
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n/an/a 4.60n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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


(Homo sapiens (Human))
BDBM254999
PNG
(US9475813, 4)
Show SMILES FC(F)(F)CNC[C@H]1CC[C@@H](CC1)N1CNC(=O)c2cnc3[nH]ccc3c12
Show InChI InChI=1S/C18H22F3N5O/c19-18(20,21)9-22-7-11-1-3-12(4-2-11)26-10-25-17(27)14-8-24-16-13(15(14)26)5-6-23-16/h5-6,8,11-12,22H,1-4,7,9-10H2,(H,23,24)(H,25,27)/t11-,12-
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n/an/a 4.60n/an/an/an/an/an/a



Nissan Chemical Industries, Ltd.

US Patent


Assay Description
The inhibitory activity of the compounds of the present invention against JAK was measured.The respective enzymes (JAK1, JAK2, JAK3 and Tyk2) were pu...


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