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Patent code US9346810

Compile Data Set for Download or QSAR

Found 249 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))
BDBM228686
PNG
(US9346810, 161)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)-c1nnn[nH]1
Show InChI InChI=1S/C18H18FN9/c1-27(15-3-2-11(8-14(15)19)16-23-25-26-24-16)12-5-7-28(9-12)18-13-4-6-20-17(13)21-10-22-18/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,20,21,22)(H,23,24,25,26)/t12-/m1/s1
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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228690
PNG
(US9346810, 217)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(C)(=O)=O)cn1
Show InChI InChI=1S/C17H21N7O2S/c1-23(15-4-3-12(9-19-15)22-27(2,25)26)13-6-8-24(10-13)17-14-5-7-18-16(14)20-11-21-17/h3-5,7,9,11,13,22H,6,8,10H2,1-2H3,(H,18,20,21)/t13-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228692
PNG
(US9346810, 219)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)Cc2ccccc2F)cn1
Show InChI InChI=1S/C23H24FN7O2S/c1-30(18-9-11-31(13-18)23-19-8-10-25-22(19)27-15-28-23)21-7-6-17(12-26-21)29-34(32,33)14-16-4-2-3-5-20(16)24/h2-8,10,12,15,18,29H,9,11,13-14H2,1H3,(H,25,27,28)/t18-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228661
PNG
(US9346810, 1)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)CC#N
Show InChI InChI=1S/C14H16N6O/c1-19(12(21)2-5-15)10-4-7-20(8-10)14-11-3-6-16-13(11)17-9-18-14/h3,6,9-10H,2,4,7-8H2,1H3,(H,16,17,18)/t10-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228711
PNG
(US9346810, 46)
Show SMILES N#Cc1ccc2N(CCc2c1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H18N6/c20-10-13-1-2-17-14(9-13)4-8-25(17)15-5-7-24(11-15)19-16-3-6-21-18(16)22-12-23-19/h1-3,6,9,12,15H,4-5,7-8,11H2,(H,21,22,23)/t15-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228714
PNG
(US9346810, 61)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(C)(=O)=O
Show InChI InChI=1S/C17H20N6O2S/c1-22(15-4-3-13(9-19-15)26(2,24)25)12-6-8-23(10-12)17-14-5-7-18-16(14)20-11-21-17/h3-5,7,9,11-12H,6,8,10H2,1-2H3,(H,18,20,21)/t12-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228719
PNG
(US9346810, 71 | US9346810, 92)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
Show InChI InChI=1S/C17H17N7/c1-23(15-3-2-12(8-18)9-20-15)13-5-7-24(10-13)17-14-4-6-19-16(14)21-11-22-17/h2-4,6,9,11,13H,5,7,10H2,1H3,(H,19,21,22)/t13-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228679
PNG
(US9346810, 124)
Show SMILES N#Cc1ccc(nc1)N(CC1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H21N7/c21-9-15-3-4-18(23-10-15)27(11-14-1-2-14)16-6-8-26(12-16)20-17-5-7-22-19(17)24-13-25-20/h3-5,7,10,13-14,16H,1-2,6,8,11-12H2,(H,22,24,25)/t16-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228735
PNG
(US9346810, 126)
Show SMILES CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
Show InChI InChI=1S/C18H19N7/c1-2-25(16-4-3-13(9-19)10-21-16)14-6-8-24(11-14)18-15-5-7-20-17(15)22-12-23-18/h3-5,7,10,12,14H,2,6,8,11H2,1H3,(H,20,22,23)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228745
PNG
(US9346810, 164)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc2[nH]c(=O)[nH]c2n1
Show InChI InChI=1S/C17H18N8O/c1-24(13-3-2-12-15(22-13)23-17(26)21-12)10-5-7-25(8-10)16-11-4-6-18-14(11)19-9-20-16/h2-4,6,9-10H,5,7-8H2,1H3,(H,18,19,20)(H2,21,22,23,26)/t10-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228749
PNG
(US9346810, 176)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)N[C@@H](CO)c1ccccc1
Show InChI InChI=1S/C25H27N7O2/c1-31(19-10-12-32(14-19)24-20-9-11-26-23(20)28-16-29-24)22-8-7-18(13-27-22)25(34)30-21(15-33)17-5-3-2-4-6-17/h2-9,11,13,16,19,21,33H,10,12,14-15H2,1H3,(H,30,34)(H,26,28,29)/t19-,21+/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228664
PNG
(US9346810, 30)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C19H19F3N6O/c1-27(18(29)26-13-4-2-12(3-5-13)19(20,21)22)14-7-9-28(10-14)17-15-6-8-23-16(15)24-11-25-17/h2-6,8,11,14H,7,9-10H2,1H3,(H,26,29)(H,23,24,25)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228667
PNG
(US9346810, 37)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)N1CCCC1
Show InChI InChI=1S/C16H22N6O/c1-20(16(23)21-7-2-3-8-21)12-5-9-22(10-12)15-13-4-6-17-14(13)18-11-19-15/h4,6,11-12H,2-3,5,7-10H2,1H3,(H,17,18,19)/t12-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228675
PNG
(US9346810, 119)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cccc(c1)C#N
Show InChI InChI=1S/C18H18N6/c1-23(14-4-2-3-13(9-14)10-19)15-6-8-24(11-15)18-16-5-7-20-17(16)21-12-22-18/h2-5,7,9,12,15H,6,8,11H2,1H3,(H,20,21,22)/t15-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228688
PNG
(US9346810, 214)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)C2=CCCS2)cn1
Show InChI InChI=1S/C20H23N7O2S2/c1-26(15-7-9-27(12-15)20-16-6-8-21-19(16)23-13-24-20)17-5-4-14(11-22-17)25-31(28,29)18-3-2-10-30-18/h3-6,8,11,13,15,25H,2,7,9-10,12H2,1H3,(H,21,23,24)/t15-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228691
PNG
(US9346810, 218)
Show SMILES CC(C)S(=O)(=O)Nc1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H25N7O2S/c1-13(2)29(27,28)24-14-4-5-17(21-10-14)25(3)15-7-9-26(11-15)19-16-6-8-20-18(16)22-12-23-19/h4-6,8,10,12-13,15,24H,7,9,11H2,1-3H3,(H,20,22,23)/t15-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228699
PNG
(US9346810, 242)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1COC1
Show InChI InChI=1S/C19H23N7O3S/c1-25(17-3-2-15(8-21-17)30(27,28)24-13-10-29-11-13)14-5-7-26(9-14)19-16-4-6-20-18(16)22-12-23-19/h2-4,6,8,12-14,24H,5,7,9-11H2,1H3,(H,20,22,23)/t14-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228700
PNG
(US9346810, 243)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NCCO
Show InChI InChI=1S/C18H23N7O3S/c1-24(16-3-2-14(10-20-16)29(27,28)23-7-9-26)13-5-8-25(11-13)18-15-4-6-19-17(15)21-12-22-18/h2-4,6,10,12-13,23,26H,5,7-9,11H2,1H3,(H,19,21,22)/t13-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228709
PNG
(US9346810, 40)
Show SMILES C=CCN(C1CCCC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H25N5/c1-2-10-23(14-5-3-4-6-14)15-8-11-22(12-15)18-16-7-9-19-17(16)20-13-21-18/h2,7,9,13-15H,1,3-6,8,10-12H2,(H,19,20,21)/t15-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228669
PNG
(US9346810, 67)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H17ClN6/c1-22(14-3-2-11(17)8-19-14)12-5-7-23(9-12)16-13-4-6-18-15(13)20-10-21-16/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,18,20,21)/t12-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228725
PNG
(US9346810, 91)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cccc(n1)C#N
Show InChI InChI=1S/C17H17N7/c1-23(15-4-2-3-12(9-18)22-15)13-6-8-24(10-13)17-14-5-7-19-16(14)20-11-21-17/h2-5,7,11,13H,6,8,10H2,1H3,(H,19,20,21)/t13-/m1/s1
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Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228728
PNG
(US9346810, 94)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ncc(Br)cn1
Show InChI InChI=1S/C15H16BrN7/c1-22(15-18-6-10(16)7-19-15)11-3-5-23(8-11)14-12-2-4-17-13(12)20-9-21-14/h2,4,6-7,9,11H,3,5,8H2,1H3,(H,17,20,21)/t11-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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Ligand-Target Pair
Tyrosine-protein kinase JAK2


(Homo sapiens (Human))
BDBM228729
PNG
(US9346810, 98)
Show SMILES CCCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#N
Show InChI InChI=1S/C19H21N7/c1-2-8-26(17-4-3-14(10-20)11-22-17)15-6-9-25(12-15)19-16-5-7-21-18(16)23-13-24-19/h3-5,7,11,13,15H,2,6,8-9,12H2,1H3,(H,21,23,24)/t15-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228673
PNG
(US9346810, 104)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1)C#N
Show InChI InChI=1S/C18H18N6/c1-23(14-4-2-13(10-19)3-5-14)15-7-9-24(11-15)18-16-6-8-20-17(16)21-12-22-18/h2-6,8,12,15H,7,9,11H2,1H3,(H,20,21,22)/t15-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228762
PNG
(US9346810, 212)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H22FN7O2S/c1-29(17-9-11-30(13-17)22-19-8-10-24-21(19)26-14-27-22)20-7-4-16(12-25-20)28-33(31,32)18-5-2-15(23)3-6-18/h2-8,10,12,14,17,28H,9,11,13H2,1H3,(H,24,26,27)/t17-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM228668
PNG
(US9346810, 42)
Show SMILES COc1nc(ccc1C#N)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H19N7O/c1-24(15-4-3-12(9-19)18(23-15)26-2)13-6-8-25(10-13)17-14-5-7-20-16(14)21-11-22-17/h3-5,7,11,13H,6,8,10H2,1-2H3,(H,20,21,22)/t13-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228671
PNG
(US9346810, 77)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(C)c(cn1)[N+]([O-])=O
Show InChI InChI=1S/C17H19N7O2/c1-11-7-15(19-8-14(11)24(25)26)22(2)12-4-6-23(9-12)17-13-3-5-18-16(13)20-10-21-17/h3,5,7-8,10,12H,4,6,9H2,1-2H3,(H,18,20,21)/t12-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228681
PNG
(US9346810, 127)
Show SMILES C#CCN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cnc(cn1)C#N
Show InChI InChI=1S/C18H16N8/c1-2-6-26(16-10-21-13(8-19)9-22-16)14-4-7-25(11-14)18-15-3-5-20-17(15)23-12-24-18/h1,3,5,9-10,12,14H,4,6-7,11H2,(H,20,23,24)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228689
PNG
(US9346810, 215)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(NS(=O)(=O)c2cccnc2)cn1
Show InChI InChI=1S/C21H22N8O2S/c1-28(16-7-10-29(13-16)21-18-6-9-23-20(18)25-14-26-21)19-5-4-15(11-24-19)27-32(30,31)17-3-2-8-22-12-17/h2-6,8-9,11-12,14,16,27H,7,10,13H2,1H3,(H,23,25,26)/t16-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228694
PNG
(US9346810, 236)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC1CC1
Show InChI InChI=1S/C19H23N7O2S/c1-25(17-5-4-15(10-21-17)29(27,28)24-13-2-3-13)14-7-9-26(11-14)19-16-6-8-20-18(16)22-12-23-19/h4-6,8,10,12-14,24H,2-3,7,9,11H2,1H3,(H,20,22,23)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228695
PNG
(US9346810, 237)
Show SMILES COCCNS(=O)(=O)c1ccc(nc1)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H25N7O3S/c1-25(17-4-3-15(11-21-17)30(27,28)24-8-10-29-2)14-6-9-26(12-14)19-16-5-7-20-18(16)22-13-23-19/h3-5,7,11,13-14,24H,6,8-10,12H2,1-2H3,(H,20,22,23)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228698
PNG
(US9346810, 241)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)NC[C@@H]1CCCO1
Show InChI InChI=1S/C21H27N7O3S/c1-27(15-7-9-28(13-15)21-18-6-8-22-20(18)24-14-25-21)19-5-4-17(12-23-19)32(29,30)26-11-16-3-2-10-31-16/h4-6,8,12,14-16,26H,2-3,7,9-11,13H2,1H3,(H,22,24,25)/t15-,16+/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228645
PNG
(US9346810, 47)
Show SMILES CNS(=O)(=O)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C12H18N6O2S/c1-13-21(19,20)17(2)9-4-6-18(7-9)12-10-3-5-14-11(10)15-8-16-12/h3,5,8-9,13H,4,6-7H2,1-2H3,(H,14,15,16)/t9-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228733
PNG
(US9346810, 111)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(C#N)c2ccccc12
Show InChI InChI=1S/C22H20N6/c1-27(20-7-6-15(12-23)17-4-2-3-5-18(17)20)16-9-11-28(13-16)22-19-8-10-24-21(19)25-14-26-22/h2-8,10,14,16H,9,11,13H2,1H3,(H,24,25,26)/t16-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228686
PNG
(US9346810, 161)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)-c1nnn[nH]1
Show InChI InChI=1S/C18H18FN9/c1-27(15-3-2-11(8-14(15)19)16-23-25-26-24-16)12-5-7-28(9-12)18-13-4-6-20-17(13)21-10-22-18/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,20,21,22)(H,23,24,25,26)/t12-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228753
PNG
(US9346810, 185)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C24H22ClFN6O/c1-31(18-8-10-32(13-18)23-19-7-9-27-22(19)28-14-29-23)21-6-5-15(11-20(21)26)24(33)30-17-4-2-3-16(25)12-17/h2-7,9,11-12,14,18H,8,10,13H2,1H3,(H,30,33)(H,27,28,29)/t18-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228755
PNG
(US9346810, 190)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C(=O)NCCO
Show InChI InChI=1S/C19H23N7O2/c1-25(16-3-2-13(10-22-16)19(28)21-7-9-27)14-5-8-26(11-14)18-15-4-6-20-17(15)23-12-24-18/h2-4,6,10,12,14,27H,5,7-9,11H2,1H3,(H,21,28)(H,20,23,24)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM228716
PNG
(US9346810, 63)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(Cl)n1
Show InChI InChI=1S/C15H16ClN7/c1-22(12-3-6-18-15(16)21-12)10-4-7-23(8-10)14-11-2-5-17-13(11)19-9-20-14/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,17,19,20)/t10-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM228676
PNG
(US9346810, 121)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccnc(c1)C#N
Show InChI InChI=1S/C17H17N7/c1-23(13-2-5-19-12(8-13)9-18)14-4-7-24(10-14)17-15-3-6-20-16(15)21-11-22-17/h2-3,5-6,8,11,14H,4,7,10H2,1H3,(H,20,21,22)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM228736
PNG
(US9346810, 129)
Show SMILES Fc1cc(cc(F)c1N(CC#C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C#N
Show InChI InChI=1S/C20H16F2N6/c1-2-6-28(18-16(21)8-13(10-23)9-17(18)22)14-4-7-27(11-14)20-15-3-5-24-19(15)25-12-26-20/h1,3,5,8-9,12,14H,4,6-7,11H2,(H,24,25,26)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK3 (781-1124)


(Homo sapiens (human))
BDBM228743
PNG
(US9346810, 162)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)C#C
Show InChI InChI=1S/C18H18N6/c1-3-13-4-5-16(20-10-13)23(2)14-7-9-24(11-14)18-15-6-8-19-17(15)21-12-22-18/h1,4-6,8,10,12,14H,7,9,11H2,2H3,(H,19,21,22)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228662
PNG
(US9346810, 16)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1cccc(c1)C#N
Show InChI InChI=1S/C19H19N7O/c1-25(19(27)24-14-4-2-3-13(9-14)10-20)15-6-8-26(11-15)18-16-5-7-21-17(16)22-12-23-18/h2-5,7,9,12,15H,6,8,11H2,1H3,(H,24,27)(H,21,22,23)/t15-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228665
PNG
(US9346810, 33)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)C(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C18H19ClN6O/c1-24(18(26)23-13-4-2-12(19)3-5-13)14-7-9-25(10-14)17-15-6-8-20-16(15)21-11-22-17/h2-6,8,11,14H,7,9-10H2,1H3,(H,23,26)(H,20,21,22)/t14-/m1/s1
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JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228669
PNG
(US9346810, 67)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(Cl)cn1
Show InChI InChI=1S/C16H17ClN6/c1-22(14-3-2-11(17)8-19-14)12-5-7-23(9-12)16-13-4-6-18-15(13)20-10-21-16/h2-4,6,8,10,12H,5,7,9H2,1H3,(H,18,20,21)/t12-/m1/s1
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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228674
PNG
(US9346810, 106)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1cc(F)c(C#N)c(F)c1
Show InChI InChI=1S/C18H16F2N6/c1-25(12-6-15(19)14(8-21)16(20)7-12)11-3-5-26(9-11)18-13-2-4-22-17(13)23-10-24-18/h2,4,6-7,10-11H,3,5,9H2,1H3,(H,22,23,24)/t11-/m1/s1
PDB

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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228679
PNG
(US9346810, 124)
Show SMILES N#Cc1ccc(nc1)N(CC1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C20H21N7/c21-9-15-3-4-18(23-10-15)27(11-14-1-2-14)16-6-8-26(12-16)20-17-5-7-22-19(17)24-13-25-20/h3-5,7,10,13-14,16H,1-2,6,8,11-12H2,(H,22,24,25)/t16-/m1/s1
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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228687
PNG
(US9346810, 202)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cc1F)C(=O)NC[C@H](O)c1ccccc1
Show InChI InChI=1S/C26H27FN6O2/c1-32(19-10-12-33(15-19)25-20-9-11-28-24(20)30-16-31-25)22-8-7-18(13-21(22)27)26(35)29-14-23(34)17-5-3-2-4-6-17/h2-9,11,13,16,19,23,34H,10,12,14-15H2,1H3,(H,29,35)(H,28,30,31)/t19-,23+/m1/s1
PDB

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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228706
PNG
(US9346810, 253)
Show SMILES CN([C@@H]1CCN(C1)c1ncnc2[nH]ccc12)c1ccc(cn1)S(=O)(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C22H22FN7O2S/c1-29(17-9-11-30(13-17)22-19-8-10-24-21(19)26-14-27-22)20-7-6-18(12-25-20)33(31,32)28-16-4-2-15(23)3-5-16/h2-8,10,12,14,17,28H,9,11,13H2,1H3,(H,24,26,27)/t17-/m1/s1
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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228710
PNG
(US9346810, 41)
Show SMILES N#Cc1ccc(nc1)N(C1CC1)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C19H19N7/c20-9-13-1-4-17(22-10-13)26(14-2-3-14)15-6-8-25(11-15)19-16-5-7-21-18(16)23-12-24-19/h1,4-5,7,10,12,14-15H,2-3,6,8,11H2,(H,21,23,24)/t15-/m1/s1
PDB
MMDB

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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


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


(Homo sapiens (Human))
BDBM228668
PNG
(US9346810, 42)
Show SMILES COc1nc(ccc1C#N)N(C)[C@@H]1CCN(C1)c1ncnc2[nH]ccc12
Show InChI InChI=1S/C18H19N7O/c1-24(15-4-3-12(9-19)18(23-15)26-2)13-6-8-25(10-13)17-14-5-7-20-16(14)21-11-22-17/h3-5,7,11,13H,6,8,10H2,1-2H3,(H,20,21,22)/t13-/m1/s1
PDB
MMDB

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HUTCHISON MEDIPHARMA LIMITED

US Patent


Assay Description
JAK1/2/3 kinase assay are performed in vitro using Kit-Tyr 6 Peptide (Invitrogen, Cat. No. PV4122). TYK2 kinase assay are performed in vitro using Z'...


Citation and Details
More data for this
Ligand-Target Pair
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