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Patent code US10370387

Compile Data Set for Download or QSAR
Found 196 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
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM246852
PNG
(((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344089
PNG
(US10370387, Example 73 | US9777017, Example 73 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C17H15N5OS/c18-6-3-12-2-1-11(10-23-12)22-15(4-7-19)21-14-9-20-13-5-8-24-17(13)16(14)22/h5,8-9,11-12H,1-4,10H2/t11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344058
PNG
(US10370387, Example 42 | US9777017, Example 42 | U...)
Show SMILES CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C18H20N4OS/c1-11(2)18-21-15-9-20-14-6-8-24-17(14)16(15)22(18)12-3-4-13(5-7-19)23-10-12/h6,8-9,11-13H,3-5,10H2,1-2H3/t12-,13+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344073
PNG
(US10370387, Example 57 | US9777017, Example 57 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-16(29)24-26-20-14-25-19-11-13-31-23(19)22(20)28(24)18-8-5-12-27(15-18)21(30)10-9-17-6-3-2-4-7-17/h2-4,6-7,11,13-14,16,18,29H,5,8-10,12,15H2,1H3/t16-,18+/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344091
PNG
(US10370387, Example 75 | US9777017, Example 75 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)OC1
Show InChI InChI=1S/C17H22N4O4S2/c1-10(22)17-20-14-8-18-13-5-6-26-16(13)15(14)21(17)11-3-4-12(25-9-11)7-19-27(2,23)24/h5-6,8,10-12,19,22H,3-4,7,9H2,1-2H3/t10-,11+,12-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344101
PNG
(US10370387, Example 85 | US9777017, Example 85 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)OC2CCOC2)CC1
Show InChI InChI=1S/C22H28N4O4S/c1-13(27)21-25-18-11-23-17-7-9-31-20(17)19(18)26(21)15-4-2-14(3-5-15)10-24-22(28)30-16-6-8-29-12-16/h7,9,11,13-16,27H,2-6,8,10,12H2,1H3,(H,24,28)/t13-,14-,15-,16?/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344104
PNG
(US10370387, Example 88 | US9777017, Example 88 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C21H25N5O2S/c1-13(2)28-21(27)24-11-14-3-5-15(6-4-14)26-18(7-9-22)25-17-12-23-16-8-10-29-20(16)19(17)26/h8,10,12-15H,3-7,11H2,1-2H3,(H,24,27)/t14-,15-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344105
PNG
(US10370387, Example 89 | US9777017, Example 89 | U...)
Show SMILES CCC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C20H23N5OS/c1-2-18(26)23-11-13-3-5-14(6-4-13)25-17(7-9-21)24-16-12-22-15-8-10-27-20(15)19(16)25/h8,10,12-14H,2-7,11H2,1H3,(H,23,26)/t13-,14-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344033
PNG
(US10370387, Example 17 | US9777017, Example 17 | U...)
Show SMILES OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C17H18N4OS/c18-7-5-11-1-3-12(4-2-11)21-15(10-22)20-14-9-19-13-6-8-23-17(13)16(14)21/h6,8-9,11-12,22H,1-5,10H2/t11-,12-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344039
PNG
(US10370387, Example 23 | US9777017, Example 23)
Show SMILES C[C@@H](O)c1cc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C19H21N3OS/c1-12(23)17-10-14-11-21-16-7-9-24-19(16)18(14)22(17)15-4-2-13(3-5-15)6-8-20/h7,9-13,15,23H,2-6H2,1H3/t12-,13-,15-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344055
PNG
(US10370387, Example 39 | US9777017, Example 39 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4OS/c1-2-15-20-14-9-19-13-6-8-23-17(13)16(14)21(15)11-3-4-12(5-7-18)22-10-11/h6,8-9,11-12H,2-5,10H2,1H3/t11-,12+/m0/s1
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Incyte Holdings Corporation

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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM375666
PNG
(US10370387, Example 40 | US9908895, Example 40 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12+,15+/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344064
PNG
(US10370387, Example 48 | US9777017, Example 48 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C17H18N4S/c1-11-20-15-10-19-14-7-9-22-17(14)16(15)21(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344096
PNG
(US10370387, Example 80 | US9777017, Example 80 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H24N4O3S2/c1-11(23)18-21-15-10-19-14-7-8-26-17(14)16(15)22(18)13-5-3-12(4-6-13)9-20-27(2,24)25/h7-8,10-13,20,23H,3-6,9H2,1-2H3/t11-,12-,13-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344097
PNG
(US10370387, Example 81 | US9777017, Example 81 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)N(C)C)CC1
Show InChI InChI=1S/C20H27N5O2S/c1-12(26)19-23-16-11-21-15-8-9-28-18(15)17(16)25(19)14-6-4-13(5-7-14)10-22-20(27)24(2)3/h8-9,11-14,26H,4-7,10H2,1-3H3,(H,22,27)/t12-,13-,14-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344103
PNG
(US10370387, Example 87 | US9777017, Example 87 | U...)
Show SMILES CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C20H23N5O2S/c1-2-27-20(26)23-11-13-3-5-14(6-4-13)25-17(7-9-21)24-16-12-22-15-8-10-28-19(15)18(16)25/h8,10,12-14H,2-7,11H2,1H3,(H,23,26)/t13-,14-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344021
PNG
(US10370387, Example 5 | US9777017, Example 5 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCS(C)(=O)=O)CC1
Show InChI InChI=1S/C19H25N3O3S2/c1-12(23)19-21-16-11-20-15-7-9-26-18(15)17(16)22(19)14-5-3-13(4-6-14)8-10-27(2,24)25/h7,9,11-14,23H,3-6,8,10H2,1-2H3/t12-,13-,14-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344029
PNG
(US10370387, Example 13 | US9777017, Example 13 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H19N3OS/c1-10(20)16-18-13-9-17-12-7-8-21-15(12)14(13)19(16)11-5-3-2-4-6-11/h7-11,20H,2-6H2,1H3/t10-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344042
PNG
(US10370387, Example 26 | US9777017, Example 26 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CC1
Show InChI InChI=1S/C19H20N4S/c20-9-7-12-1-5-14(6-2-12)23-17-16(22-19(23)13-3-4-13)11-21-15-8-10-24-18(15)17/h8,10-14H,1-7H2/t12-,14-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410242
PNG
(US10370387, Example 36-2 | US10370387, Example 37-...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12-,15-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410242
PNG
(US10370387, Example 36-2 | US10370387, Example 37-...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12-,15-/m1/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344061
PNG
(US10370387, Example 45 | US10479803, Example 1C | ...)
Show SMILES C[C@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11-,12+/m0/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344074
PNG
(US10370387, Example 58 | US9777017, Example 58 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCC#N
Show InChI InChI=1S/C19H21N5O2S/c1-12(25)19-22-15-10-21-14-6-9-27-18(14)17(15)24(19)13-4-3-8-23(11-13)16(26)5-2-7-20/h6,9-10,12-13,25H,2-5,8,11H2,1H3/t12-,13+/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344093
PNG
(US10370387, Example 77 | US9777017, Example 77 | U...)
Show SMILES CC(=N)C(\[C@H]1CC[C@H](CC#N)CC1)=C1/NC=Nc2ccsc12
Show InChI InChI=1S/C17H20N4S/c1-11(19)15(13-4-2-12(3-5-13)6-8-18)16-17-14(7-9-22-17)20-10-21-16/h7,9-10,12-13,19H,2-6H2,1H3,(H,20,21)/b16-15+,19-11?/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344099
PNG
(US10370387, Example 83 | US9777017, Example 83 | U...)
Show SMILES CCCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C21H28N4O3S/c1-3-9-28-21(27)23-11-14-4-6-15(7-5-14)25-18-17(24-20(25)13(2)26)12-22-16-8-10-29-19(16)18/h8,10,12-15,26H,3-7,9,11H2,1-2H3,(H,23,27)/t13-,14-,15-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344100
PNG
(US10370387, Example 84 | US9777017, Example 84 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C21H28N4O3S/c1-12(2)28-21(27)23-10-14-4-6-15(7-5-14)25-18-17(24-20(25)13(3)26)11-22-16-8-9-29-19(16)18/h8-9,11-15,26H,4-7,10H2,1-3H3,(H,23,27)/t13-,14-,15-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344106
PNG
(US10370387, Example 90 | US9777017, Example 90 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C18H17N5S/c19-8-5-12-1-3-13(4-2-12)23-16(6-9-20)22-15-11-21-14-7-10-24-18(14)17(15)23/h7,10-13H,1-6H2/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344107
PNG
(US10370387, Example 91 | US9777017, Example 91++in...)
Show SMILES OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C16H16N4O2S/c17-5-3-11-2-1-10(9-22-11)20-14(8-21)19-13-7-18-12-4-6-23-16(12)15(13)20/h4,6-7,10-11,21H,1-3,8-9H2/t10-,11+/m0/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344020
PNG
(US10370387, Example 4 | US9777017, Example 4 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H21F3N4OS/c1-10(26)17-24-14-8-22-13-6-7-27-16(13)15(14)25(17)12-4-2-11(3-5-12)23-9-18(19,20)21/h6-8,10-12,23,26H,2-5,9H2,1H3/t10-,11-,12-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344034
PNG
(US10370387, Example 18 | US9777017, Example 18 | U...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O2S2/c1-27(24,25)21-11-16-22-15-10-20-14-7-9-26-18(14)17(15)23(16)13-4-2-12(3-5-13)6-8-19/h7,9-10,12-13,21H,2-6,11H2,1H3/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344054
PNG
(US10370387, Example 38 | US9777017, Example 38 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C16H16N4OS/c1-10-19-14-8-18-13-5-7-22-16(13)15(14)20(10)11-2-3-12(4-6-17)21-9-11/h5,7-8,11-12H,2-4,9H2,1H3/t11-,12+/m0/s1
PDB
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344102
PNG
(US10370387, Example 86 | US9777017, Example 86 | U...)
Show SMILES COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C19H21N5O2S/c1-26-19(25)22-10-12-2-4-13(5-3-12)24-16(6-8-20)23-15-11-21-14-7-9-27-18(14)17(15)24/h7,9,11-13H,2-6,10H2,1H3,(H,22,25)/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344018
PNG
(US10370387, Example 10 | US9777017, Example 10 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4OS/c1-11(23)18-21-15-10-20-14-7-9-24-17(14)16(15)22(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,23H,2-6H2,1H3/t11-,12-,13-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344023
PNG
(US10370387, Example 7 | US9777017, Example 7 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H18N4OS/c1-10(22)17-20-14-9-19-13-6-7-23-16(13)15(14)21(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,22H,2-5H2,1H3/t10-,11-,12+/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344028
PNG
(US10370387, Example 12 | US9777017, Example 12 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CF)CC1
Show InChI InChI=1S/C17H20FN3OS/c1-10(22)17-20-14-9-19-13-6-7-23-16(13)15(14)21(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,22H,2-5,8H2,1H3/t10-,11-,12-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410249
PNG
(US10370387, Example 41 | [(1R,2S,4S)-4-(2-Methyl-1...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12+,15+/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344059
PNG
(US10370387, Example 43 | US9777017, Example 43 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)C1CC1
Show InChI InChI=1S/C18H18N4OS/c19-7-5-13-4-3-12(10-23-13)22-16-15(21-18(22)11-1-2-11)9-20-14-6-8-24-17(14)16/h6,8-9,11-13H,1-5,10H2/t12-,13+/m0/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344084
PNG
(US10370387, Example 68 | US9777017, Example 68)
Show SMILES CC(N)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H19N5OS/c1-10(19)17-21-14-8-20-13-5-7-24-16(13)15(14)22(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12H,2-4,9,19H2,1H3/t10?,11-,12+/m0/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410287
PNG
(Methyl [(trans-4-{2-[(1R)-1-hydroxyethyl]-1H-imida...)
Show SMILES COC(=O)NC[C@H]1CC[C@@H](CC1)N1C(=N[N]2=CN=c3ccsc3=C12)[C@@H](C)O
Show InChI InChI=1S/C18H24N5O3S/c1-11(24)16-21-22-10-20-14-7-8-27-15(14)17(22)23(16)13-5-3-12(4-6-13)9-19-18(25)26-2/h7-8,10-13,24H,3-6,9H2,1-2H3,(H,19,25)/t11-,12-,13-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344095
PNG
(US10370387, Example 79 | US9777017, Example 79 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(C)=O)CC1
Show InChI InChI=1S/C19H24N4O2S/c1-11(24)19-22-16-10-21-15-7-8-26-18(15)17(16)23(19)14-5-3-13(4-6-14)9-20-12(2)25/h7-8,10-11,13-14,24H,3-6,9H2,1-2H3,(H,20,25)/t11-,13-,14-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344098
PNG
(US10370387, Example 82 | US9777017, Example 82 | U...)
Show SMILES CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O3S/c1-3-27-20(26)22-10-13-4-6-14(7-5-13)24-17-16(23-19(24)12(2)25)11-21-15-8-9-28-18(15)17/h8-9,11-14,25H,3-7,10H2,1-2H3,(H,22,26)/t12-,13-,14-/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344040
PNG
(US10370387, Example 24 | US9777017, Example 24 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(O)(CC#N)CC1
Show InChI InChI=1S/C18H20N4O2S/c1-11(23)17-21-14-10-20-13-4-9-25-16(13)15(14)22(17)12-2-5-18(24,6-3-12)7-8-19/h4,9-12,23-24H,2-3,5-7H2,1H3/t11-,12?,18?/m1/s1
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344041
PNG
(US10370387, Example 25 | US9777017, Example 25 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c2c(cnc3ccsc23)[nH]\c1=N/C#N
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344043
PNG
(US10370387, Example 27 | US9777017, Example 27 | U...)
Show SMILES CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C19H22N4S/c1-12(2)19-22-16-11-21-15-8-10-24-18(15)17(16)23(19)14-5-3-13(4-6-14)7-9-20/h8,10-14H,3-7H2,1-2H3/t13-,14-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344048
PNG
(US10370387, Example 32 | US9777017, Example 32 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCC(CCC#N)C1
Show InChI InChI=1S/C19H22N4OS/c1-12(24)19-22-16-11-21-15-7-9-25-18(15)17(16)23(19)14-6-2-4-13(10-14)5-3-8-20/h7,9,11-14,24H,2-6,10H2,1H3/t12-,13?,14?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344049
PNG
(US10370387, Example 33 | US9777017, Example 33 | U...)
Show SMILES Cc1nc2cnc3ccsc3n2c1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C17H12N4S/c1-11-16(13-4-2-12(3-5-13)6-8-18)21-15(20-11)10-19-14-7-9-22-17(14)21/h2-5,7,9-10H,6H2,1H3
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344054
PNG
(US10370387, Example 38 | US9777017, Example 38 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C16H16N4OS/c1-10-19-14-8-18-13-5-7-22-16(13)15(14)20(10)11-2-3-12(4-6-17)21-9-11/h5,7-8,11-12H,2-4,9H2,1H3/t11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344064
PNG
(US10370387, Example 48 | US9777017, Example 48 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C17H18N4S/c1-11-20-15-10-19-14-7-9-22-17(14)16(15)21(11)13-4-2-12(3-5-13)6-8-18/h7,9-10,12-13H,2-6H2,1H3/t12-,13-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344080
PNG
(US10370387, Example 64 | US9777017, Example 64 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC(F)(F)F)C1
Show InChI InChI=1S/C18H21F3N4OS/c1-11(26)17-23-14-9-22-13-4-8-27-16(13)15(14)25(17)12-3-7-24(10-12)6-2-5-18(19,20)21/h4,8-9,11-12,26H,2-3,5-7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344087
PNG
(US10370387, Example 71 | US9777017, Example 71 | U...)
Show SMILES CC(F)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H17FN4OS/c1-10(18)17-21-14-8-20-13-5-7-24-16(13)15(14)22(17)11-2-3-12(4-6-19)23-9-11/h5,7-8,10-12H,2-4,9H2,1H3/t10?,11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344093
PNG
(US10370387, Example 77 | US9777017, Example 77 | U...)
Show SMILES CC(=N)C(\[C@H]1CC[C@H](CC#N)CC1)=C1/NC=Nc2ccsc12
Show InChI InChI=1S/C17H20N4S/c1-11(19)15(13-4-2-12(3-5-13)6-8-18)16-17-14(7-9-22-17)20-10-21-16/h7,9-10,12-13,19H,2-6H2,1H3,(H,20,21)/b16-15+,19-11?/t12-,13-
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410255
PNG
(US10370387, Example 46 | [4-(8-Methylpyrazolo[1,5-...)
Show SMILES Cc1nn2cnc3ccsc3c2c1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C17H12N4S/c1-11-15(13-4-2-12(3-5-13)6-8-18)16-17-14(7-9-22-17)19-10-21(16)20-11/h2-5,7,9-10H,6H2,1H3
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344088
PNG
(US10370387, Example 72 | US9777017, Example 72 | U...)
Show SMILES OCC1(CCC(CC#N)CC1)n1cnc2cnc3ccsc3c12
Show InChI InChI=1S/C17H18N4OS/c18-7-3-12-1-5-17(10-22,6-2-12)21-11-20-14-9-19-13-4-8-23-16(13)15(14)21/h4,8-9,11-12,22H,1-3,5-6,10H2
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344092
PNG
(US10370387, Example 76 | US9777017, Example 76 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O4S/c1-11(2)28-20(26)22-8-14-5-4-13(10-27-14)24-17-16(23-19(24)12(3)25)9-21-15-6-7-29-18(15)17/h6-7,9,11-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t12-,13+,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344024
PNG
(US10370387, Example 8 | US9777017, Example 8 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H22N4OS/c1-12(24)19-22-16-11-21-15-8-10-25-18(15)17(16)23(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,24H,2-7H2,1H3/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344018
PNG
(US10370387, Example 10 | US9777017, Example 10 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4OS/c1-11(23)18-21-15-10-20-14-7-9-24-17(14)16(15)22(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,23H,2-6H2,1H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344027
PNG
(US10370387, Example 11 | US9777017, Example 11 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1
Show InChI InChI=1S/C17H21N3O2S/c1-10(22)17-19-14-8-18-13-6-7-23-16(13)15(14)20(17)12-4-2-11(9-21)3-5-12/h6-8,10-12,21-22H,2-5,9H2,1H3/t10-,11-,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344051
PNG
(US10370387, Example 35 | US9777017, Example 35 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12+,15-/m0/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344063
PNG
(US10370387, Example 47 | US9777017, Example 47 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4S/c1-2-16-21-15-11-20-14-8-10-23-18(14)17(15)22(16)13-5-3-12(4-6-13)7-9-19/h8,10-13H,2-7H2,1H3/t12-,13-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410241
PNG
(((1R,2R,4S)-2-Hydroxy-4-{2-[(1R)-1-hydroxyethyl]-1...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12+,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344034
PNG
(US10370387, Example 18 | US9777017, Example 18 | U...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H21N5O2S2/c1-27(24,25)21-11-16-22-15-10-20-14-7-9-26-18(14)17(15)23(16)13-4-2-12(3-5-13)6-8-19/h7,9-10,12-13,21H,2-6,11H2,1H3/t12-,13-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344039
PNG
(US10370387, Example 23 | US9777017, Example 23)
Show SMILES C[C@@H](O)c1cc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C19H21N3OS/c1-12(23)17-10-14-11-21-16-7-9-24-19(16)18(14)22(17)15-4-2-13(3-5-15)6-8-20/h7,9-13,15,23H,2-6H2,1H3/t12-,13-,15-/m1/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344041
PNG
(US10370387, Example 25 | US9777017, Example 25 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c2c(cnc3ccsc23)[nH]\c1=N/C#N
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Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344050
PNG
(US10370387, Example 34 | US9777017, Example 34 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12+,15-/m0/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM375679
PNG
(US10370387, Example 53 | US9908895, Example 53)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cn[nH]c1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344077
PNG
(US10370387, Example 61 | US9777017, Example 61 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC#N)CC1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)17-20-14-10-19-13-4-9-24-16(13)15(14)22(17)12-2-6-21(7-3-12)8-5-18/h4,9-12,23H,2-3,6-8H2,1H3/t11-/m1/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344083
PNG
(US10370387, Example 67 | US9777017, Example 67 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](N)C1
Show InChI InChI=1S/C18H21N5OS/c1-10(24)18-22-15-9-21-14-5-7-25-17(14)16(15)23(18)12-3-2-11(4-6-19)13(20)8-12/h5,7,9-13,24H,2-4,8,20H2,1H3/t10-,11-,12+,13-/m1/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410212
PNG
(US10370387, Example 9-2)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CCNCC1F
Show InChI InChI=1S/C15H17FN4OS/c1-8(21)15-19-11-7-18-10-3-5-22-14(10)13(11)20(15)12-2-4-17-6-9(12)16/h3,5,7-9,12,17,21H,2,4,6H2,1H3/t8-,9?,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344018
PNG
(US10370387, Example 10 | US9777017, Example 10 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4OS/c1-11(23)18-21-15-10-20-14-7-9-24-17(14)16(15)22(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,23H,2-6H2,1H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344032
PNG
(US10370387, Example 16 | US9777017, Example 16 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCC#N)CC1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-11-20-14-5-10-25-17(14)16(15)23(18)13-3-8-22(9-4-13)7-2-6-19/h5,10-13,24H,2-4,7-9H2,1H3/t12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344047
PNG
(US10370387, Example 31 | US9777017, Example 31)
Show SMILES CCNC(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O2S/c1-3-21-17(26)10-13-4-6-14(7-5-13)24-18-16(23-20(24)12(2)25)11-22-15-8-9-27-19(15)18/h8-9,11-14,25H,3-7,10H2,1-2H3,(H,21,26)/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM375678
PNG
(US10370387, Example 52 | US9908895, Example 52)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-10(26)16-23-13-7-22-12-4-6-29-15(12)14(13)25(16)11-3-2-5-24(8-11)17(27)28-9-18(19,20)21/h4,6-7,10-11,26H,2-3,5,8-9H2,1H3/t10-,11+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344072
PNG
(US10370387, Example 56 | US9777017, Example 56 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(CCC#N)C1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-10-20-14-5-9-25-17(14)16(15)23(18)13-4-2-7-22(11-13)8-3-6-19/h5,9-10,12-13,24H,2-4,7-8,11H2,1H3/t12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344075
PNG
(US10370387, Example 59 | US9777017, Example 59 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCCC#N
Show InChI InChI=1S/C20H23N5O2S/c1-13(26)20-23-16-11-22-15-7-10-28-19(15)18(16)25(20)14-5-4-9-24(12-14)17(27)6-2-3-8-21/h7,10-11,13-14,26H,2-6,9,12H2,1H3/t13-,14+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344088
PNG
(US10370387, Example 72 | US9777017, Example 72 | U...)
Show SMILES OCC1(CCC(CC#N)CC1)n1cnc2cnc3ccsc3c12
Show InChI InChI=1S/C17H18N4OS/c18-7-3-12-1-5-17(10-22,6-2-12)21-11-20-14-9-19-13-4-8-23-16(13)15(14)21/h4,8-9,11-12,22H,1-3,5-6,10H2
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344102
PNG
(US10370387, Example 86 | US9777017, Example 86 | U...)
Show SMILES COC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C19H21N5O2S/c1-26-19(25)22-10-12-2-4-13(5-3-12)24-16(6-8-20)23-15-11-21-14-7-9-27-18(14)17(15)24/h7,9,11-13H,2-6,10H2,1H3,(H,22,25)/t12-,13-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344030
PNG
(US10370387, Example 14 | US9777017, Example 14 | U...)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C18H24N4O3S2/c1-11(23)18-21-15-9-20-14-7-8-26-17(14)16(15)22(18)13-5-3-12(4-6-13)10-27(24,25)19-2/h7-9,11-13,19,23H,3-6,10H2,1-2H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344058
PNG
(US10370387, Example 42 | US9777017, Example 42 | U...)
Show SMILES CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C18H20N4OS/c1-11(2)18-21-15-9-20-14-6-8-24-17(14)16(15)22(18)12-3-4-13(5-7-19)23-10-12/h6,8-9,11-13H,3-5,10H2,1-2H3/t12-,13+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344059
PNG
(US10370387, Example 43 | US9777017, Example 43 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)C1CC1
Show InChI InChI=1S/C18H18N4OS/c19-7-5-13-4-3-12(10-23-13)22-16-15(21-18(22)11-1-2-11)9-20-14-6-8-24-17(14)16/h6,8-9,11-13H,1-5,10H2/t12-,13+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344066
PNG
(US10370387, Example 50 | US9777017, Example 50 | U...)
Show SMILES CCOC(=O)N1CCC[C@@H](C1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C18H22N4O3S/c1-3-25-18(24)21-7-4-5-12(10-21)22-15-14(20-17(22)11(2)23)9-19-13-6-8-26-16(13)15/h6,8-9,11-12,23H,3-5,7,10H2,1-2H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344082
PNG
(US10370387, Example 66 | US9777017, Example 66 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCCC#N)C1
Show InChI InChI=1S/C19H23N5OS/c1-13(25)19-22-16-11-21-15-6-10-26-18(15)17(16)24(19)14-5-9-23(12-14)8-4-2-3-7-20/h6,10-11,13-14,25H,2-5,8-9,12H2,1H3/t13-,14+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410287
PNG
(Methyl [(trans-4-{2-[(1R)-1-hydroxyethyl]-1H-imida...)
Show SMILES COC(=O)NC[C@H]1CC[C@@H](CC1)N1C(=N[N]2=CN=c3ccsc3=C12)[C@@H](C)O
Show InChI InChI=1S/C18H24N5O3S/c1-11(24)16-21-22-10-20-14-7-8-27-15(14)17(22)23(16)13-5-3-12(4-6-13)9-19-18(25)26-2/h7-8,10-13,24H,3-6,9H2,1-2H3,(H,19,25)/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344100
PNG
(US10370387, Example 84 | US9777017, Example 84 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C21H28N4O3S/c1-12(2)28-21(27)23-10-14-4-6-15(7-5-14)25-18-17(24-20(25)13(3)26)11-22-16-8-9-29-19(16)18/h8-9,11-15,26H,4-7,10H2,1-3H3,(H,23,27)/t13-,14-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344103
PNG
(US10370387, Example 87 | US9777017, Example 87 | U...)
Show SMILES CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C20H23N5O2S/c1-2-27-20(26)23-11-13-3-5-14(6-4-13)25-17(7-9-21)24-16-12-22-15-8-10-28-19(15)18(16)25/h8,10,12-14H,2-7,11H2,1H3,(H,23,26)/t13-,14-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344033
PNG
(US10370387, Example 17 | US9777017, Example 17 | U...)
Show SMILES OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C17H18N4OS/c18-7-5-11-1-3-12(4-2-11)21-15(10-22)20-14-9-19-13-6-8-23-17(13)16(14)21/h6,8-9,11-12,22H,1-5,10H2/t11-,12-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344038
PNG
(US10370387, Example 22 | US9777017, Example 22 | U...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC2CCC1C2
Show InChI InChI=1S/C17H20N4O2S2/c1-25(22,23)19-9-15-20-13-8-18-12-4-5-24-17(12)16(13)21(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,19H,2-3,6-7,9H2,1H3/t10?,11?,14-/m0/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410228
PNG
(US10370387, Example 24-2)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(O)(CC#N)CC1
Show InChI InChI=1S/C18H20N4O2S/c1-11(23)17-21-14-10-20-13-4-9-25-16(13)15(14)22(17)12-2-5-18(24,6-3-12)7-8-19/h4,9-12,23-24H,2-3,5-7H2,1H3/t11-,12-,18?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344042
PNG
(US10370387, Example 26 | US9777017, Example 26 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CC1
Show InChI InChI=1S/C19H20N4S/c20-9-7-12-1-5-14(6-2-12)23-17-16(22-19(23)13-3-4-13)11-21-15-8-10-24-18(15)17/h8,10-14H,1-7H2/t12-,14-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344043
PNG
(US10370387, Example 27 | US9777017, Example 27 | U...)
Show SMILES CC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C19H22N4S/c1-12(2)19-22-16-11-21-15-8-10-24-18(15)17(16)23(19)14-5-3-13(4-6-14)7-9-20/h8,10-14H,3-7H2,1-2H3/t13-,14-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344045
PNG
(US10370387, Example 29 | US9777017, Example 29 | U...)
Show SMILES CN1CC(C1)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C20H23N5S/c1-24-11-14(12-24)20-23-17-10-22-16-7-9-26-19(16)18(17)25(20)15-4-2-13(3-5-15)6-8-21/h7,9-10,13-15H,2-6,11-12H2,1H3/t13-,15-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344049
PNG
(US10370387, Example 33 | US9777017, Example 33 | U...)
Show SMILES Cc1nc2cnc3ccsc3n2c1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C17H12N4S/c1-11-16(13-4-2-12(3-5-13)6-8-18)21-15(20-11)10-19-14-7-9-22-17(14)21/h2-5,7,9-10H,6H2,1H3
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410255
PNG
(US10370387, Example 46 | [4-(8-Methylpyrazolo[1,5-...)
Show SMILES Cc1nn2cnc3ccsc3c2c1-c1ccc(CC#N)cc1
Show InChI InChI=1S/C17H12N4S/c1-11-15(13-4-2-12(3-5-13)6-8-18)16-17-14(7-9-22-17)19-10-21(16)20-11/h2-5,7,9-10H,6H2,1H3
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344071
PNG
(US10370387, Example 55 | US9777017, Example 55 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC(C)c1ccccc1
Show InChI InChI=1S/C25H28N4O2S/c1-16(18-7-4-3-5-8-18)13-22(31)28-11-6-9-19(15-28)29-23-21(27-25(29)17(2)30)14-26-20-10-12-32-24(20)23/h3-5,7-8,10,12,14,16-17,19,30H,6,9,11,13,15H2,1-2H3/t16?,17-,19+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344078
PNG
(US10370387, Example 62 | US9777017, Example 62 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCC#N)C1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)17-20-14-9-19-13-4-8-24-16(13)15(14)22(17)12-3-7-21(10-12)6-2-5-18/h4,8-9,11-12,23H,2-3,6-7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344107
PNG
(US10370387, Example 91 | US9777017, Example 91++in...)
Show SMILES OCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C16H16N4O2S/c17-5-3-11-2-1-10(9-22-11)20-14(8-21)19-13-7-18-12-4-6-23-16(12)15(13)20/h4,6-7,10-11,21H,1-3,8-9H2/t10-,11+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344017
PNG
(US10370387, Example 1 | US9777017, Example 1 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H17N3O2S/c1-9(19)15-17-12-7-16-11-4-6-21-14(11)13(12)18(15)10-3-2-5-20-8-10/h4,6-7,9-10,19H,2-3,5,8H2,1H3/t9-,10+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM246852
PNG
(((2R,5S)-5-{2-[(1R)- 1-hydroxyethyl]-1H- imidazo[4...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410242
PNG
(US10370387, Example 36-2 | US10370387, Example 37-...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344060
PNG
(US10370387, Example 44 | US10479803, Example 1B | ...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344090
PNG
(US10370387, Example 74 | US9777017, Example 74 | U...)
Show SMILES N#CC[C@@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C17H15N5OS/c18-6-3-12-2-1-11(10-23-12)22-15(4-7-19)21-14-9-20-13-5-8-24-17(13)16(14)22/h5,8-9,11-12H,1-4,10H2/t11-,12-/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344019
PNG
(US10370387, Example 3 | US9777017, Example 3 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H19N3O2S/c1-9(20)16-18-13-8-17-12-6-7-22-15(12)14(13)19(16)10-2-4-11(21)5-3-10/h6-11,20-21H,2-5H2,1H3/t9-,10-,11-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344024
PNG
(US10370387, Example 8 | US9777017, Example 8 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCC#N)CC1
Show InChI InChI=1S/C19H22N4OS/c1-12(24)19-22-16-11-21-15-8-10-25-18(15)17(16)23(19)14-6-4-13(5-7-14)3-2-9-20/h8,10-14,24H,2-7H2,1H3/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344035
PNG
(US10370387, Example 19 | US9777017, Example 19 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CO)OC1
Show InChI InChI=1S/C16H19N3O3S/c1-9(21)16-18-13-6-17-12-4-5-23-15(12)14(13)19(16)10-2-3-11(7-20)22-8-10/h4-6,9-11,20-21H,2-3,7-8H2,1H3/t9-,10+,11?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344037
PNG
(US10370387, Example 21 | US9777017, Example 21 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344053
PNG
(US10370387, Example 37 | US9777017, Example 37 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11+,12-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344055
PNG
(US10370387, Example 39 | US9777017, Example 39 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4OS/c1-2-15-20-14-9-19-13-6-8-23-17(13)16(14)21(15)11-3-4-12(5-7-18)22-10-11/h6,8-9,11-12H,2-5,10H2,1H3/t11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM375666
PNG
(US10370387, Example 40 | US9908895, Example 40 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12+,15+/m1/s1
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344063
PNG
(US10370387, Example 47 | US9777017, Example 47 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4S/c1-2-16-21-15-11-20-14-8-10-23-18(14)17(15)22(16)13-5-3-12(4-6-13)7-9-19/h8,10-13H,2-7H2,1H3/t12-,13-
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US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344065
PNG
(US10370387, Example 49 | US9777017, Example 49 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)C1
Show InChI InChI=1S/C17H18N4OS/c1-10(22)17-20-14-9-19-13-5-7-23-16(13)15(14)21(17)12-3-2-11(8-12)4-6-18/h5,7,9-12,22H,2-4,8H2,1H3/t10-,11+,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344070
PNG
(US10370387, Example 54 | US9777017, Example 54 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cccnc1
Show InChI InChI=1S/C23H25N5O2S/c1-15(29)23-26-19-13-25-18-8-11-31-22(18)21(19)28(23)17-5-3-10-27(14-17)20(30)7-6-16-4-2-9-24-12-16/h2,4,8-9,11-13,15,17,29H,3,5-7,10,14H2,1H3/t15-,17+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344089
PNG
(US10370387, Example 73 | US9777017, Example 73 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C17H15N5OS/c18-6-3-12-2-1-11(10-23-12)22-15(4-7-19)21-14-9-20-13-5-8-24-17(13)16(14)22/h5,8-9,11-12H,1-4,10H2/t11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344099
PNG
(US10370387, Example 83 | US9777017, Example 83 | U...)
Show SMILES CCCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C21H28N4O3S/c1-3-9-28-21(27)23-11-14-4-6-15(7-5-14)25-18-17(24-20(25)13(2)26)12-22-16-8-10-29-19(16)18/h8,10,12-15,26H,3-7,9,11H2,1-2H3,(H,23,27)/t13-,14-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344046
PNG
(US10370387, Example 30 | US9777017, Example 30)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(CC1)NCCC#N
Show InChI InChI=1S/C19H23N5OS/c1-12(25)19-23-16-11-22-15-7-10-26-18(15)17(16)24(19)14-5-3-13(4-6-14)21-9-2-8-20/h7,10-14,21,25H,2-6,9H2,1H3/t12-,13?,14?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410242
PNG
(US10370387, Example 36-2 | US10370387, Example 37-...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410249
PNG
(US10370387, Example 41 | [(1R,2S,4S)-4-(2-Methyl-1...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12+,15+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344067
PNG
(US10370387, Example 51 | US9777017, Example 51 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1S/C18H19N5O2S/c1-11(24)18-21-14-9-20-13-5-8-26-17(13)16(14)23(18)12-3-2-7-22(10-12)15(25)4-6-19/h5,8-9,11-12,24H,2-4,7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344076
PNG
(US10370387, Example 60 | US9777017, Example 60 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCCC(F)(F)F)CC1
Show InChI InChI=1S/C19H23F3N4OS/c1-12(27)18-24-15-11-23-14-5-10-28-17(14)16(15)26(18)13-3-8-25(9-4-13)7-2-6-19(20,21)22/h5,10-13,27H,2-4,6-9H2,1H3/t12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344081
PNG
(US10370387, Example 65 | US9777017, Example 65 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC#N)C1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-10-20-14-5-9-25-17(14)16(15)23(18)13-4-8-22(11-13)7-3-2-6-19/h5,9-10,12-13,24H,2-4,7-8,11H2,1H3/t12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344086
PNG
(US10370387, Example 70 | US9777017, Example 70 | U...)
Show SMILES CNC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C18H21N5OS/c1-11(20-2)18-22-15-9-21-14-6-8-25-17(14)16(15)23(18)12-3-4-13(5-7-19)24-10-12/h6,8-9,11-13,20H,3-5,10H2,1-2H3/t11?,12-,13+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344018
PNG
(US10370387, Example 10 | US9777017, Example 10 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C18H20N4OS/c1-11(23)18-21-15-10-20-14-7-9-24-17(14)16(15)22(18)13-4-2-12(3-5-13)6-8-19/h7,9-13,23H,2-6H2,1H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344085
PNG
(US10370387, Example 69 | US9777017, Example 69 | U...)
Show SMILES CC(NC(C)=O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C19H21N5O2S/c1-11(22-12(2)25)19-23-16-9-21-15-6-8-27-18(15)17(16)24(19)13-3-4-14(5-7-20)26-10-13/h6,8-9,11,13-14H,3-5,10H2,1-2H3,(H,22,25)/t11?,13-,14+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344087
PNG
(US10370387, Example 71 | US9777017, Example 71 | U...)
Show SMILES CC(F)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H17FN4OS/c1-10(18)17-21-14-8-20-13-5-7-24-16(13)15(14)22(17)11-2-3-12(4-6-19)23-9-11/h5,7-8,10-12H,2-4,9H2,1H3/t10?,11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344098
PNG
(US10370387, Example 82 | US9777017, Example 82 | U...)
Show SMILES CCOC(=O)NC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O3S/c1-3-27-20(26)22-10-13-4-6-14(7-5-13)24-17-16(23-19(24)12(2)25)11-21-15-8-9-28-18(15)17/h8-9,11-14,25H,3-7,10H2,1-2H3,(H,22,26)/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344106
PNG
(US10370387, Example 90 | US9777017, Example 90 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C18H17N5S/c19-8-5-12-1-3-13(4-2-12)23-16(6-9-20)22-15-11-21-14-7-10-24-18(14)17(15)23/h7,10-13H,1-6H2/t12-,13-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344028
PNG
(US10370387, Example 12 | US9777017, Example 12 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CF)CC1
Show InChI InChI=1S/C17H20FN3OS/c1-10(22)17-20-14-9-19-13-6-7-23-16(13)15(14)21(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,22H,2-5,8H2,1H3/t10-,11-,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344078
PNG
(US10370387, Example 62 | US9777017, Example 62 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCC#N)C1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)17-20-14-9-19-13-4-8-24-16(13)15(14)22(17)12-3-7-21(10-12)6-2-5-18/h4,8-9,11-12,23H,2-3,6-7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344050
PNG
(US10370387, Example 34 | US9777017, Example 34 | U...)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12+,15-/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344086
PNG
(US10370387, Example 70 | US9777017, Example 70 | U...)
Show SMILES CNC(C)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C18H21N5OS/c1-11(20-2)18-22-15-9-21-14-6-8-25-17(14)16(15)23(18)12-3-4-13(5-7-19)24-10-12/h6,8-9,11-13,20H,3-5,10H2,1-2H3/t11?,12-,13+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344096
PNG
(US10370387, Example 80 | US9777017, Example 80 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)CC1
Show InChI InChI=1S/C18H24N4O3S2/c1-11(23)18-21-15-10-19-14-7-8-26-17(14)16(15)22(18)13-5-3-12(4-6-13)9-20-27(2,24)25/h7-8,10-13,20,23H,3-6,9H2,1-2H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344105
PNG
(US10370387, Example 89 | US9777017, Example 89 | U...)
Show SMILES CCC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C20H23N5OS/c1-2-18(26)23-11-13-3-5-14(6-4-13)25-17(7-9-21)24-16-12-22-15-8-10-27-20(15)19(16)25/h8,10,12-14H,2-7,11H2,1H3,(H,23,26)/t13-,14-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344073
PNG
(US10370387, Example 57 | US9777017, Example 57 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C24H26N4O2S/c1-16(29)24-26-20-14-25-19-11-13-31-23(19)22(20)28(24)18-8-5-12-27(15-18)21(30)10-9-17-6-3-2-4-7-17/h2-4,6-7,11,13-14,16,18,29H,5,8-10,12,15H2,1H3/t16-,18+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344083
PNG
(US10370387, Example 67 | US9777017, Example 67 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](N)C1
Show InChI InChI=1S/C18H21N5OS/c1-10(24)18-22-15-9-21-14-5-7-25-17(14)16(15)23(18)12-3-2-11(4-6-19)13(20)8-12/h5,7,9-13,24H,2-4,8,20H2,1H3/t10-,11-,12+,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344095
PNG
(US10370387, Example 79 | US9777017, Example 79 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(C)=O)CC1
Show InChI InChI=1S/C19H24N4O2S/c1-11(24)19-22-16-10-21-15-7-8-26-18(15)17(16)23(19)14-5-3-13(4-6-14)9-20-12(2)25/h7-8,10-11,13-14,24H,3-6,9H2,1-2H3,(H,20,25)/t11-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344023
PNG
(US10370387, Example 7 | US9777017, Example 7 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)C#N
Show InChI InChI=1S/C17H18N4OS/c1-10(22)17-20-14-9-19-13-6-7-23-16(13)15(14)21(17)12-4-2-11(8-18)3-5-12/h6-7,9-12,22H,2-5H2,1H3/t10-,11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410241
PNG
(((1R,2R,4S)-2-Hydroxy-4-{2-[(1R)-1-hydroxyethyl]-1...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11-,12+,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410248
PNG
(US10370387, Example 40-2)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12-,15+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344097
PNG
(US10370387, Example 81 | US9777017, Example 81 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)N(C)C)CC1
Show InChI InChI=1S/C20H27N5O2S/c1-12(26)19-23-16-11-21-15-8-9-28-18(15)17(16)25(19)14-6-4-13(5-7-14)10-22-20(27)24(2)3/h8-9,11-14,26H,4-7,10H2,1-3H3,(H,22,27)/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344029
PNG
(US10370387, Example 13 | US9777017, Example 13 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCCC1
Show InChI InChI=1S/C16H19N3OS/c1-10(20)16-18-13-9-17-12-7-8-21-15(12)14(13)19(16)11-5-3-2-4-6-11/h7-11,20H,2-6H2,1H3/t10-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344044
PNG
(US10370387, Example 28 | US9777017, Example 28 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CNC1
Show InChI InChI=1S/C19H21N5S/c20-7-5-12-1-3-14(4-2-12)24-17-16(23-19(24)13-9-21-10-13)11-22-15-6-8-25-18(15)17/h6,8,11-14,21H,1-5,9-10H2/t12-,14-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344022
PNG
(US10370387, Example 6 | US9777017, Example 6 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)n1cncn1
Show InChI InChI=1S/C18H20N6OS/c1-11(25)18-22-15-8-20-14-6-7-26-17(14)16(15)24(18)13-4-2-12(3-5-13)23-10-19-9-21-23/h6-13,25H,2-5H2,1H3/t11-,12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344048
PNG
(US10370387, Example 32 | US9777017, Example 32 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCCC(CCC#N)C1
Show InChI InChI=1S/C19H22N4OS/c1-12(24)19-22-16-11-21-15-7-9-25-18(15)17(16)23(19)14-6-2-4-13(10-14)5-3-8-20/h7,9,11-14,24H,2-6,10H2,1H3/t12-,13?,14?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM410250
PNG
(US10370387, Example 41-2)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12-,15+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344079
PNG
(US10370387, Example 63 | US9777017, Example 63 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(C1)C(=O)CC#N
Show InChI InChI=1S/C17H17N5O2S/c1-10(23)17-20-13-8-19-12-4-7-25-16(12)15(13)22(17)11-3-6-21(9-11)14(24)2-5-18/h4,7-8,10-11,23H,2-3,6,9H2,1H3/t10-,11+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344084
PNG
(US10370387, Example 68 | US9777017, Example 68)
Show SMILES CC(N)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H19N5OS/c1-10(19)17-21-14-8-20-13-5-7-24-16(13)15(14)22(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12H,2-4,9,19H2,1H3/t10?,11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344032
PNG
(US10370387, Example 16 | US9777017, Example 16 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCC#N)CC1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-11-20-14-5-10-25-17(14)16(15)23(18)13-3-8-22(9-4-13)7-2-6-19/h5,10-13,24H,2-4,7-9H2,1H3/t12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344046
PNG
(US10370387, Example 30 | US9777017, Example 30)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(CC1)NCCC#N
Show InChI InChI=1S/C19H23N5OS/c1-12(25)19-23-16-11-22-15-7-10-26-18(15)17(16)24(19)14-5-3-13(4-6-14)21-9-2-8-20/h7,10-14,21,25H,2-6,9H2,1H3/t12-,13?,14?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344091
PNG
(US10370387, Example 75 | US9777017, Example 75 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNS(C)(=O)=O)OC1
Show InChI InChI=1S/C17H22N4O4S2/c1-10(22)17-20-14-8-18-13-5-6-26-16(13)15(14)21(17)11-3-4-12(25-9-11)7-19-27(2,23)24/h5-6,8,10-12,19,22H,3-4,7,9H2,1-2H3/t10-,11+,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344092
PNG
(US10370387, Example 76 | US9777017, Example 76 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CO1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O4S/c1-11(2)28-20(26)22-8-14-5-4-13(10-27-14)24-17-16(23-19(24)12(3)25)9-21-15-6-7-29-18(15)17/h6-7,9,11-14,25H,4-5,8,10H2,1-3H3,(H,22,26)/t12-,13+,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344040
PNG
(US10370387, Example 24 | US9777017, Example 24 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCC(O)(CC#N)CC1
Show InChI InChI=1S/C18H20N4O2S/c1-11(23)17-21-14-10-20-13-4-9-25-16(13)15(14)22(17)12-2-5-18(24,6-3-12)7-8-19/h4,9-12,23-24H,2-3,5-7H2,1H3/t11-,12?,18?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344045
PNG
(US10370387, Example 29 | US9777017, Example 29 | U...)
Show SMILES CN1CC(C1)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)CC1
Show InChI InChI=1S/C20H23N5S/c1-24-11-14(12-24)20-23-17-10-22-16-7-9-26-19(16)18(17)25(20)15-4-2-13(3-5-15)6-8-21/h7,9-10,13-15H,2-6,11-12H2,1H3/t13-,15-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344051
PNG
(US10370387, Example 35 | US9777017, Example 35 | U...)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12+,15-/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344061
PNG
(US10370387, Example 45 | US10479803, Example 1C | ...)
Show SMILES C[C@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11-,12+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344020
PNG
(US10370387, Example 4 | US9777017, Example 4 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC1)NCC(F)(F)F
Show InChI InChI=1S/C18H21F3N4OS/c1-10(26)17-24-14-8-22-13-6-7-27-16(13)15(14)25(17)12-4-2-11(3-5-12)23-9-18(19,20)21/h6-8,10-12,23,26H,2-5,9H2,1H3/t10-,11-,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410228
PNG
(US10370387, Example 24-2)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(O)(CC#N)CC1
Show InChI InChI=1S/C18H20N4O2S/c1-11(23)17-21-14-10-20-13-4-9-25-16(13)15(14)22(17)12-2-5-18(24,6-3-12)7-8-19/h4,9-12,23-24H,2-3,5-7H2,1H3/t11-,12-,18?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM375655
PNG
(US10370387, Example 30-2 | US9908895, Example 30)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CC1)NCCC#N
Show InChI InChI=1S/C19H23N5OS/c1-12(25)19-23-16-11-22-15-7-10-26-18(15)17(16)24(19)14-5-3-13(4-6-14)21-9-2-8-20/h7,10-14,21,25H,2-6,9H2,1H3/t12-,13?,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344067
PNG
(US10370387, Example 51 | US9777017, Example 51 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC#N
Show InChI InChI=1S/C18H19N5O2S/c1-11(24)18-21-14-9-20-13-5-8-26-17(13)16(14)23(18)12-3-2-7-22(10-12)15(25)4-6-19/h5,8-9,11-12,24H,2-4,7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344031
PNG
(US10370387, Example 15 | US9777017, Example 15 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C17H19F3N4OS/c1-10(25)16-22-13-8-21-12-4-7-26-15(12)14(13)24(16)11-2-5-23(6-3-11)9-17(18,19)20/h4,7-8,10-11,25H,2-3,5-6,9H2,1H3/t10-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344030
PNG
(US10370387, Example 14 | US9777017, Example 14 | U...)
Show SMILES CNS(=O)(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C18H24N4O3S2/c1-11(23)18-21-15-9-20-14-7-8-26-17(14)16(15)22(18)13-5-3-12(4-6-13)10-27(24,25)19-2/h7-9,11-13,19,23H,3-6,10H2,1-2H3/t11-,12-,13-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM375678
PNG
(US10370387, Example 52 | US9908895, Example 52)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)OCC(F)(F)F
Show InChI InChI=1S/C18H19F3N4O3S/c1-10(26)16-23-13-7-22-12-4-6-29-15(12)14(13)25(16)11-3-2-5-24(8-11)17(27)28-9-18(19,20)21/h4,6-7,10-11,26H,2-3,5,8-9H2,1H3/t10-,11+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM375655
PNG
(US10370387, Example 30-2 | US9908895, Example 30)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CC1)NCCC#N
Show InChI InChI=1S/C19H23N5OS/c1-12(25)19-23-16-11-22-15-7-10-26-18(15)17(16)24(19)14-5-3-13(4-6-14)21-9-2-8-20/h7,10-14,21,25H,2-6,9H2,1H3/t12-,13?,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344053
PNG
(US10370387, Example 37 | US9777017, Example 37 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)[C@H](O)C1
Show InChI InChI=1S/C18H20N4O2S/c1-10(23)18-21-14-9-20-13-5-7-25-17(13)16(14)22(18)12-3-2-11(4-6-19)15(24)8-12/h5,7,9-12,15,23-24H,2-4,8H2,1H3/t10-,11+,12-,15-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344071
PNG
(US10370387, Example 55 | US9777017, Example 55 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CC(C)c1ccccc1
Show InChI InChI=1S/C25H28N4O2S/c1-16(18-7-4-3-5-8-18)13-22(31)28-11-6-9-19(15-28)29-23-21(27-25(29)17(2)30)14-26-20-10-12-32-24(20)23/h3-5,7-8,10,12,14,16-17,19,30H,6,9,11,13,15H2,1-2H3/t16?,17-,19+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344017
PNG
(US10370387, Example 1 | US9777017, Example 1 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCOC1
Show InChI InChI=1S/C15H17N3O2S/c1-9(19)15-17-12-7-16-11-4-6-21-14(11)13(12)18(15)10-3-2-5-20-8-10/h4,6-7,9-10,19H,2-3,5,8H2,1H3/t9-,10+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344022
PNG
(US10370387, Example 6 | US9777017, Example 6 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC1)n1cncn1
Show InChI InChI=1S/C18H20N6OS/c1-11(25)18-22-15-8-20-14-6-7-26-17(14)16(15)24(18)13-4-2-12(3-5-13)23-10-19-9-21-23/h6-13,25H,2-5H2,1H3/t11-,12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410250
PNG
(US10370387, Example 41-2)
Show SMILES Cc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C17H18N4OS/c1-10-20-14-9-19-13-5-7-23-17(13)16(14)21(10)12-3-2-11(4-6-18)15(22)8-12/h5,7,9,11-12,15,22H,2-4,8H2,1H3/t11-,12-,15+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344065
PNG
(US10370387, Example 49 | US9777017, Example 49 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)C1
Show InChI InChI=1S/C17H18N4OS/c1-10(22)17-20-14-9-19-13-5-7-23-16(13)15(14)21(17)12-3-2-11(8-12)4-6-18/h5,7,9-12,22H,2-4,8H2,1H3/t10-,11+,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344072
PNG
(US10370387, Example 56 | US9777017, Example 56 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(CCC#N)C1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-10-20-14-5-9-25-17(14)16(15)23(18)13-4-2-7-22(11-13)8-3-6-19/h5,9-10,12-13,24H,2-4,7-8,11H2,1H3/t12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344074
PNG
(US10370387, Example 58 | US9777017, Example 58 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCC#N
Show InChI InChI=1S/C19H21N5O2S/c1-12(25)19-22-15-10-21-14-6-9-27-18(14)17(15)24(19)13-4-3-8-23(11-13)16(26)5-2-7-20/h6,9-10,12-13,25H,2-5,8,11H2,1H3/t12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344080
PNG
(US10370387, Example 64 | US9777017, Example 64 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC(F)(F)F)C1
Show InChI InChI=1S/C18H21F3N4OS/c1-11(26)17-23-14-9-22-13-4-8-27-16(13)15(14)25(17)12-3-7-24(10-12)6-2-5-18(19,20)21/h4,8-9,11-12,26H,2-3,5-7,10H2,1H3/t11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344081
PNG
(US10370387, Example 65 | US9777017, Example 65 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCC#N)C1
Show InChI InChI=1S/C18H21N5OS/c1-12(24)18-21-15-10-20-14-5-9-25-17(14)16(15)23(18)13-4-8-22(11-13)7-3-2-6-19/h5,9-10,12-13,24H,2-4,7-8,11H2,1H3/t12-,13+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344101
PNG
(US10370387, Example 85 | US9777017, Example 85 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CNC(=O)OC2CCOC2)CC1
Show InChI InChI=1S/C22H28N4O4S/c1-13(27)21-25-18-11-23-17-7-9-31-20(17)19(18)26(21)15-4-2-14(3-5-15)10-24-22(28)30-16-6-8-29-12-16/h7,9,11,13-16,27H,2-6,8,10,12H2,1H3,(H,24,28)/t13-,14-,15-,16?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344037
PNG
(US10370387, Example 21 | US9777017, Example 21 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11+,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344047
PNG
(US10370387, Example 31 | US9777017, Example 31)
Show SMILES CCNC(=O)C[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C20H26N4O2S/c1-3-21-17(26)10-13-4-6-14(7-5-13)24-18-16(23-20(24)12(2)25)11-22-15-8-9-27-19(15)18/h8-9,11-14,25H,3-7,10H2,1-2H3,(H,21,26)/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
JAK1 (aa 837-1142)


(Homo sapiens (Human))		BDBM344025
PNG
(US10370387, Example 9 | US9777017, Example 9 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCNCC1F
Show InChI InChI=1S/C15H17FN4OS/c1-8(21)15-19-11-7-18-10-3-5-22-14(10)13(11)20(15)12-2-4-17-6-9(12)16/h3,5,7-9,12,17,21H,2,4,6H2,1H3/t8-,9?,12?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344027
PNG
(US10370387, Example 11 | US9777017, Example 11 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CO)CC1
Show InChI InChI=1S/C17H21N3O2S/c1-10(22)17-19-14-8-18-13-6-7-23-16(13)15(14)20(17)12-4-2-11(9-21)3-5-12/h6-8,10-12,21-22H,2-5,9H2,1H3/t10-,11-,12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344038
PNG
(US10370387, Example 22 | US9777017, Example 22 | U...)
Show SMILES CS(=O)(=O)NCc1nc2cnc3ccsc3c2n1[C@H]1CC2CCC1C2
Show InChI InChI=1S/C17H20N4O2S2/c1-25(22,23)19-9-15-20-13-8-18-12-4-5-24-17(12)16(13)21(15)14-7-10-2-3-11(14)6-10/h4-5,8,10-11,14,19H,2-3,6-7,9H2,1H3/t10?,11?,14-/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344044
PNG
(US10370387, Example 28 | US9777017, Example 28 | U...)
Show SMILES N#CC[C@H]1CC[C@@H](CC1)n1c(nc2cnc3ccsc3c12)C1CNC1
Show InChI InChI=1S/C19H21N5S/c20-7-5-12-1-3-14(4-2-12)24-17-16(23-19(24)13-9-21-10-13)11-22-15-6-8-25-18(15)17/h6,8,11-14,21H,1-5,9-10H2/t12-,14-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344079
PNG
(US10370387, Example 63 | US9777017, Example 63 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(C1)C(=O)CC#N
Show InChI InChI=1S/C17H17N5O2S/c1-10(23)17-20-13-8-19-12-4-7-25-16(12)15(13)22(17)11-3-6-21(9-11)14(24)2-5-18/h4,7-8,10-11,23H,2-3,6,9H2,1H3/t10-,11+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344082
PNG
(US10370387, Example 66 | US9777017, Example 66 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCN(CCCCC#N)C1
Show InChI InChI=1S/C19H23N5OS/c1-13(25)19-22-16-11-21-15-6-10-26-18(15)17(16)24(19)14-5-9-23(12-14)8-4-2-3-7-20/h6,10-11,13-14,25H,2-5,8-9,12H2,1H3/t13-,14+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344085
PNG
(US10370387, Example 69 | US9777017, Example 69 | U...)
Show SMILES CC(NC(C)=O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CC#N)OC1
Show InChI InChI=1S/C19H21N5O2S/c1-11(22-12(2)25)19-23-16-9-21-15-6-8-27-18(15)17(16)24(19)13-3-4-14(5-7-20)26-10-13/h6,8-9,11,13-14H,3-5,10H2,1-2H3,(H,22,25)/t11?,13-,14+/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344021
PNG
(US10370387, Example 5 | US9777017, Example 5 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](CCS(C)(=O)=O)CC1
Show InChI InChI=1S/C19H25N3O3S2/c1-12(23)19-21-16-11-20-15-7-9-26-18(15)17(16)22(19)14-5-3-13(4-6-14)8-10-27(2,24)25/h7,9,11-14,23H,3-6,8,10H2,1-2H3/t12-,13-,14-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344025
PNG
(US10370387, Example 9 | US9777017, Example 9 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCNCC1F
Show InChI InChI=1S/C15H17FN4OS/c1-8(21)15-19-11-7-18-10-3-5-22-14(10)13(11)20(15)12-2-4-17-6-9(12)16/h3,5,7-9,12,17,21H,2,4,6H2,1H3/t8-,9?,12?/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM375679
PNG
(US10370387, Example 53 | US9908895, Example 53)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cn[nH]c1
PDB
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344076
PNG
(US10370387, Example 60 | US9777017, Example 60 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CCCC(F)(F)F)CC1
Show InChI InChI=1S/C19H23F3N4OS/c1-12(27)18-24-15-11-23-14-5-10-28-17(14)16(15)26(18)13-3-8-25(9-4-13)7-2-6-19(20,21)22/h5,10-13,27H,2-4,6-9H2,1H3/t12-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344031
PNG
(US10370387, Example 15 | US9777017, Example 15 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC(F)(F)F)CC1
Show InChI InChI=1S/C17H19F3N4OS/c1-10(25)16-22-13-8-21-12-4-7-26-15(12)14(13)24(16)11-2-5-23(6-3-11)9-17(18,19)20/h4,7-8,10-11,25H,2-3,5-6,9H2,1H3/t10-/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410248
PNG
(US10370387, Example 40-2)
Show SMILES CCc1nc2cnc3ccsc3c2n1[C@@H]1CC[C@H](CC#N)[C@@H](O)C1
Show InChI InChI=1S/C18H20N4OS/c1-2-16-21-14-10-20-13-6-8-24-18(13)17(14)22(16)12-4-3-11(5-7-19)15(23)9-12/h6,8,10-12,15,23H,2-5,9H2,1H3/t11-,12-,15+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344060
PNG
(US10370387, Example 44 | US10479803, Example 1B | ...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CC[C@@H](CC#N)OC1
Show InChI InChI=1S/C17H18N4O2S/c1-10(22)17-20-14-8-19-13-5-7-24-16(13)15(14)21(17)11-2-3-12(4-6-18)23-9-11/h5,7-8,10-12,22H,2-4,9H2,1H3/t10-,11-,12+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344070
PNG
(US10370387, Example 54 | US9777017, Example 54 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCc1cccnc1
Show InChI InChI=1S/C23H25N5O2S/c1-15(29)23-26-19-13-25-18-8-11-31-22(18)21(19)28(23)17-5-3-10-27(14-17)20(30)7-6-16-4-2-9-24-12-16/h2,4,8-9,11-13,15,17,29H,3,5-7,10,14H2,1H3/t15-,17+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344075
PNG
(US10370387, Example 59 | US9777017, Example 59 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCCN(C1)C(=O)CCCC#N
Show InChI InChI=1S/C20H23N5O2S/c1-13(26)20-23-16-11-22-15-7-10-28-19(15)18(16)25(20)14-5-4-9-24(12-14)17(27)6-2-3-8-21/h7,10-11,13-14,26H,2-6,9,12H2,1H3/t13-,14+/m1/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344077
PNG
(US10370387, Example 61 | US9777017, Example 61 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1C1CCN(CC#N)CC1
Show InChI InChI=1S/C17H19N5OS/c1-11(23)17-20-14-10-19-13-4-9-24-16(13)15(14)22(17)12-2-6-21(7-3-12)8-5-18/h4,9-12,23H,2-3,6-8H2,1H3/t11-/m1/s1
PDB
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344090
PNG
(US10370387, Example 74 | US9777017, Example 74 | U...)
Show SMILES N#CC[C@@H]1CC[C@@H](CO1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C17H15N5OS/c18-6-3-12-2-1-11(10-23-12)22-15(4-7-19)21-14-9-20-13-5-8-24-17(13)16(14)22/h5,8-9,11-12H,1-4,10H2/t11-,12-/m0/s1
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344104
PNG
(US10370387, Example 88 | US9777017, Example 88 | U...)
Show SMILES CC(C)OC(=O)NC[C@H]1CC[C@@H](CC1)n1c(CC#N)nc2cnc3ccsc3c12
Show InChI InChI=1S/C21H25N5O2S/c1-13(2)28-21(27)24-11-14-3-5-15(6-4-14)26-18(7-9-22)25-17-12-23-16-8-10-29-20(16)19(17)26/h8,10,12-15H,3-7,11H2,1-2H3,(H,24,27)/t14-,15-
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344019
PNG
(US10370387, Example 3 | US9777017, Example 3 | US9...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CC[C@H](O)CC1
Show InChI InChI=1S/C16H19N3O2S/c1-9(20)16-18-13-8-17-12-6-7-22-15(12)14(13)19(16)10-2-4-11(21)5-3-10/h6-11,20-21H,2-5H2,1H3/t9-,10-,11-/m1/s1
PDB
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Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM410212
PNG
(US10370387, Example 9-2)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@@H]1CCNCC1F
Show InChI InChI=1S/C15H17FN4OS/c1-8(21)15-19-11-7-18-10-3-5-22-14(10)13(11)20(15)12-2-4-17-6-9(12)16/h3,5,7-9,12,17,21H,2,4,6H2,1H3/t8-,9?,12-/m1/s1
PDB
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US Patent
n/an/a>5.00E+5n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344066
PNG
(US10370387, Example 50 | US9777017, Example 50 | U...)
Show SMILES CCOC(=O)N1CCC[C@@H](C1)n1c(nc2cnc3ccsc3c12)[C@@H](C)O
Show InChI InChI=1S/C18H22N4O3S/c1-3-25-18(24)21-7-4-5-12(10-21)22-15-14(20-17(22)11(2)23)9-19-13-6-8-26-16(13)15/h6,8-9,11-12,23H,3-5,7,10H2,1-2H3/t11-,12+/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+5n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase JAK2 (aa 828-1132)


(Homo sapiens (Human))		BDBM344035
PNG
(US10370387, Example 19 | US9777017, Example 19 | U...)
Show SMILES C[C@@H](O)c1nc2cnc3ccsc3c2n1[C@H]1CCC(CO)OC1
Show InChI InChI=1S/C16H19N3O3S/c1-9(21)16-18-13-6-17-12-4-5-23-15(12)14(13)19(16)10-2-3-11(7-20)22-8-10/h4-6,9-11,20-21H,2-3,7-8H2,1H3/t9-,10+,11?/m1/s1
PDB
MMDB

KEGG

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a>5.00E+5n/an/an/an/an/an/a



Incyte Holdings Corporation

US Patent


Assay Description
Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...

US Patent US10370387 (2019)


BindingDB Entry DOI: 10.7270/Q2PV6NQ0
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%