Compile Data Set for Download or QSAR
Found 28 Enz. Inhib. hit(s) with all data for entry = 8718
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380039(5-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM246853(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380444(5-[3-(Cyanomethyl)-3-(3′,5′-dimethyl-1...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C21H25N9O/c1-13(2)26-20(31)17-8-24-18(9-23-17)29-11-21(12-29,5-6-22)30-10-16(7-25-30)19-14(3)27-28-15(19)4/h7-10,13H,5,11-12H2,1-4H3,(H,26,31)(H,27,28)
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380442(5-[3-(Cyanomethyl)-3-(3,3′-dimethyl-1H,1R...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1c[nH]nc1C
Show InChI InChI=1S/C21H25N9O/c1-13(2)26-20(31)18-8-24-19(9-23-18)29-11-21(12-29,5-6-22)30-10-17(15(4)28-30)16-7-25-27-14(16)3/h7-10,13H,5,11-12H2,1-4H3,(H,25,27)(H,26,31)
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380445(5-[3-(Cyanomethyl)-3-(3′,5′-dimethyl-1...)
Show SMILES C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380449(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380426(4-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM246853(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380063(5-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C
Show InChI InChI=1S/C20H23N9O/c1-13(2)26-19(30)17-8-23-18(9-22-17)28-11-20(12-28,4-5-21)29-10-15(6-25-29)16-7-24-27-14(16)3/h6-10,13H,4,11-12H2,1-3H3,(H,24,27)(H,26,30)
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380422(4-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C
Show InChI InChI=1S/C22H25N7O/c1-15(2)26-21(30)17-4-6-19(7-5-17)28-13-22(14-28,8-9-23)29-12-18(10-25-29)20-11-24-27-16(20)3/h4-7,10-12,15H,8,13-14H2,1-3H3,(H,24,27)(H,26,30)
Affinity DataIC50: 300nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM246853(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380441(4-[3-(1H,1′H-4,4′-Bipyrazol-1-yl)-3-(c...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380426(4-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380063(5-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C
Show InChI InChI=1S/C20H23N9O/c1-13(2)26-19(30)17-8-23-18(9-22-17)28-11-20(12-28,4-5-21)29-10-15(6-25-29)16-7-24-27-14(16)3/h6-10,13H,4,11-12H2,1-3H3,(H,24,27)(H,26,30)
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM246853(4-[3-(cyanomethyl)- 3-(3',5'-dimethyl- 1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380448(4-{3-(Cyanomethyl)-3-[3′-(hydroxymethyl)-1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1CO)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380447(5-[3-(Cyanomethyl)-3-(3′-ethyl-1H,1′H-...)
Show SMILES CCc1n[nH]cc1-c1cnn(c1)C1(CC#N)CN(C1)c1cnc(cn1)C(=O)N[C@@H](C)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK1 [837-1142](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380446(5-[3-(Cyanomethyl)-3-(3-methyl-1H,1′H-4,4...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H23N9O/c1-13(2)26-19(30)17-8-23-18(9-22-17)28-11-20(12-28,4-5-21)29-10-16(14(3)27-29)15-6-24-25-7-15/h6-10,13H,4,11-12H2,1-3H3,(H,24,25)(H,26,30)
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380445(5-[3-(Cyanomethyl)-3-(3′,5′-dimethyl-1...)
Show SMILES C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C)C(F)(F)F
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380444(5-[3-(Cyanomethyl)-3-(3′,5′-dimethyl-1...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1c(C)n[nH]c1C
Show InChI InChI=1S/C21H25N9O/c1-13(2)26-20(31)17-8-24-18(9-23-17)29-11-21(12-29,5-6-22)30-10-16(7-25-30)19-14(3)27-28-15(19)4/h7-10,13H,5,11-12H2,1-4H3,(H,26,31)(H,27,28)
Affinity DataIC50: 650nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380039(5-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES C[C@H](NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1C)C(F)(F)F
Affinity DataIC50: 700nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380449(4-{3-(Cyanomethyl)-3-[3-(hydroxymethyl)-3′-m...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(c(CO)n1)-c1c[nH]nc1C)C(F)(F)F
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380447(5-[3-(Cyanomethyl)-3-(3′-ethyl-1H,1′H-...)
Show SMILES CCc1n[nH]cc1-c1cnn(c1)C1(CC#N)CN(C1)c1cnc(cn1)C(=O)N[C@@H](C)C(F)(F)F
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380446(5-[3-(Cyanomethyl)-3-(3-methyl-1H,1′H-4,4...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1cn[nH]c1
Show InChI InChI=1S/C20H23N9O/c1-13(2)26-19(30)17-8-23-18(9-22-17)28-11-20(12-28,4-5-21)29-10-16(14(3)27-29)15-6-24-25-7-15/h6-10,13H,4,11-12H2,1-3H3,(H,24,25)(H,26,30)
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380422(4-[3-(Cyanomethyl)-3-(3′-methyl-1H,1′H...)
Show SMILES CC(C)NC(=O)c1ccc(cc1)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1C
Show InChI InChI=1S/C22H25N7O/c1-15(2)26-21(30)17-4-6-19(7-5-17)28-13-22(14-28,8-9-23)29-12-18(10-25-29)20-11-24-27-16(20)3/h4-7,10-12,15H,8,13-14H2,1-3H3,(H,24,27)(H,26,30)
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380448(4-{3-(Cyanomethyl)-3-[3′-(hydroxymethyl)-1H,...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1c[nH]nc1CO)C(F)(F)F
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380441(4-[3-(1H,1′H-4,4′-Bipyrazol-1-yl)-3-(c...)
Show SMILES C[C@H](NC(=O)c1cc(F)c(cc1F)N1CC(CC#N)(C1)n1cc(cn1)-c1cn[nH]c1)C(F)(F)F
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetTyrosine-protein kinase JAK2 [828-1132](Homo sapiens (Human))
Incyte Corporation

US Patent
LigandPNGBDBM380442(5-[3-(Cyanomethyl)-3-(3,3′-dimethyl-1H,1R...)
Show SMILES CC(C)NC(=O)c1cnc(cn1)N1CC(CC#N)(C1)n1cc(c(C)n1)-c1c[nH]nc1C
Show InChI InChI=1S/C21H25N9O/c1-13(2)26-20(31)18-8-24-19(9-23-18)29-11-21(12-29,5-6-22)30-10-17(15(4)28-30)16-7-25-27-14(16)3/h7-10,13H,5,11-12H2,1-4H3,(H,25,27)(H,26,31)
Affinity DataIC50: 1.00E+3nMAssay 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...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid