Compile Data Set for Download or QSAR
Found 21 Enz. Inhib. hit(s) with all data for entry = 10884
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576244(WO2022109580, Example 3)
Show SMILES CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1nc(-c2cnoc2)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H21N7O4/c1-12-5-16(21(30-2)3-4-31-11-21)25-18(6-12)28-15-7-17(26-20(22)29)23-9-14(15)19(27-28)13-8-24-32-10-13/h5-10H,3-4,11H2,1-2H3,(H3,22,23,26,29)/t21-/m0/s1
Affinity DataIC50: 1nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576242(WO2022109580, Example 1)
Show SMILES CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1nc(-c2cnn(C)c2)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C22H24N8O3/c1-13-6-17(22(32-3)4-5-33-12-22)26-19(7-13)30-16-8-18(27-21(23)31)24-10-15(16)20(28-30)14-9-25-29(2)11-14/h6-11H,4-5,12H2,1-3H3,(H3,23,24,27,31)/t22-/m0/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576262(WO2022109580, Example 25)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1cc(C)n2cnc(NC(N)=O)cc12
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576245(WO2022109580, Example 4)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1nc(-c2cnoc2)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H21N7O4/c1-12-5-16(21(30-2)3-4-31-11-21)25-18(6-12)28-15-7-17(26-20(22)29)23-9-14(15)19(27-28)13-8-24-32-10-13/h5-10H,3-4,11H2,1-2H3,(H3,22,23,26,29)/t21-/m1/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576250(WO2022109580, Example 11)
Show SMILES CO[C@]1(CCOC1)c1cc(OC[C@@H](C)O)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H26N6O5/c1-12(28)10-32-14-6-17(21(30-3)4-5-31-11-21)24-19(7-14)27-16-8-18(25-20(22)29)23-9-15(16)13(2)26-27/h6-9,12,28H,4-5,10-11H2,1-3H3,(H3,22,23,25,29)/t12-,21+/m1/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576257(WO2022109580, Example 19)
Show SMILES CO[C@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-n1cc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C23H27N5O5/c1-14-9-28(18-7-20(27-22(24)29)25-8-17(14)18)21-6-16(33-12-15-10-32-11-15)5-19(26-21)23(30-2)3-4-31-13-23/h5-9,15H,3-4,10-13H2,1-2H3,(H3,24,25,27,29)/t23-/m0/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576248(WO2022109580, Example 9)
Show SMILES COCCOc1cc(nc(c1)[C@@]1(CCOC1)OC)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H26N6O5/c1-13-15-11-23-18(25-20(22)28)10-16(15)27(26-13)19-9-14(32-7-6-29-2)8-17(24-19)21(30-3)4-5-31-12-21/h8-11H,4-7,12H2,1-3H3,(H3,22,23,25,28)/t21-/m0/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576252(WO2022109580, Example 13)
Show SMILES CO[C@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C22H26N6O5/c1-13-16-8-24-19(26-21(23)29)7-17(16)28(27-13)20-6-15(33-11-14-9-32-10-14)5-18(25-20)22(30-2)3-4-31-12-22/h5-8,14H,3-4,9-12H2,1-2H3,(H3,23,24,26,29)/t22-/m0/s1
Affinity DataIC50: 2nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576246(WO2022109580, Example 5)
Show SMILES CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C19H22N6O3/c1-11-6-15(19(27-3)4-5-28-10-19)22-17(7-11)25-14-8-16(23-18(20)26)21-9-13(14)12(2)24-25/h6-9H,4-5,10H2,1-3H3,(H3,20,21,23,26)/t19-/m0/s1
Affinity DataIC50: 3nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576243(WO2022109580, Example 2)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1nc(-c2cnn(C)c2)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C22H24N8O3/c1-13-6-17(22(32-3)4-5-33-12-22)26-19(7-13)30-16-8-18(27-21(23)31)24-10-15(16)20(28-30)14-9-25-29(2)11-14/h6-11H,4-5,12H2,1-3H3,(H3,23,24,27,31)/t22-/m1/s1
Affinity DataIC50: 4nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576255(WO2022109580, Example 17)
Show SMILES CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1cc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C20H23N5O3/c1-12-6-16(20(27-3)4-5-28-11-20)23-18(7-12)25-10-13(2)14-9-22-17(8-15(14)25)24-19(21)26/h6-10H,4-5,11H2,1-3H3,(H3,21,22,24,26)/t20-/m0/s1
Affinity DataIC50: 4nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576253(WO2022109580, Example 14)
Show SMILES CO[C@@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C22H26N6O5/c1-13-16-8-24-19(26-21(23)29)7-17(16)28(27-13)20-6-15(33-11-14-9-32-10-14)5-18(25-20)22(30-2)3-4-31-12-22/h5-8,14H,3-4,9-12H2,1-2H3,(H3,23,24,26,29)/t22-/m1/s1
Affinity DataIC50: 4nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576260(WO2022109580, Example 23)
Show SMILES CO[C@]1(CCOC1)c1cc(C)cc(n1)-n1cc(-c2cnn(C)c2)n2cnc(NC(N)=O)cc12
Affinity DataIC50: 5nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576249(WO2022109580, Example 10)
Show SMILES COCCOc1cc(nc(c1)[C@]1(CCOC1)OC)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H26N6O5/c1-13-15-11-23-18(25-20(22)28)10-16(15)27(26-13)19-9-14(32-7-6-29-2)8-17(24-19)21(30-3)4-5-31-12-21/h8-11H,4-7,12H2,1-3H3,(H3,22,23,25,28)/t21-/m1/s1
Affinity DataIC50: 6nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576251(WO2022109580, Example 12)
Show SMILES CO[C@@]1(CCOC1)c1cc(OC[C@@H](C)O)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C21H26N6O5/c1-12(28)10-32-14-6-17(21(30-3)4-5-31-11-21)24-19(7-14)27-16-8-18(25-20(22)29)23-9-15(16)13(2)26-27/h6-9,12,28H,4-5,10-11H2,1-3H3,(H3,22,23,25,29)/t12-,21-/m1/s1
Affinity DataIC50: 6nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576254(WO2022109580, Example 16)
Show SMILES CO[C@@]1(CCOC1)c1cc(OCC2CS(=O)(=O)C2)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C22H26N6O6S/c1-13-16-8-24-19(26-21(23)29)7-17(16)28(27-13)20-6-15(34-9-14-10-35(30,31)11-14)5-18(25-20)22(32-2)3-4-33-12-22/h5-8,14H,3-4,9-12H2,1-2H3,(H3,23,24,26,29)/t22-/m1/s1
Affinity DataIC50: 7nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576256(WO2022109580, Example 18)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1cc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C20H23N5O3/c1-12-6-16(20(27-3)4-5-28-11-20)23-18(7-12)25-10-13(2)14-9-22-17(8-15(14)25)24-19(21)26/h6-10H,4-5,11H2,1-3H3,(H3,21,22,24,26)/t20-/m1/s1
Affinity DataIC50: 8nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576247(WO2022109580, Example 6)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1nc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C19H22N6O3/c1-11-6-15(19(27-3)4-5-28-10-19)22-17(7-11)25-14-8-16(23-18(20)26)21-9-13(14)12(2)24-25/h6-9H,4-5,10H2,1-3H3,(H3,20,21,23,26)/t19-/m1/s1
Affinity DataIC50: 8nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576258(WO2022109580, Example 20)
Show SMILES CO[C@@]1(CCOC1)c1cc(OCC2COC2)cc(n1)-n1cc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C23H27N5O5/c1-14-9-28(18-7-20(27-22(24)29)25-8-17(14)18)21-6-16(33-12-15-10-32-11-15)5-19(26-21)23(30-2)3-4-31-13-23/h5-9,15H,3-4,10-13H2,1-2H3,(H3,24,25,27,29)/t23-/m1/s1
Affinity DataIC50: 11nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576259(WO2022109580, Example 22)
Show SMILES CO[C@@]1(CCOC1)c1cc(OCC2CS(=O)(=O)C2)cc(n1)-n1cc(C)c2cnc(NC(N)=O)cc12
Show InChI InChI=1S/C23H27N5O6S/c1-14-9-28(18-7-20(27-22(24)29)25-8-17(14)18)21-6-16(34-10-15-11-35(30,31)12-15)5-19(26-21)23(32-2)3-4-33-13-23/h5-9,15H,3-4,10-13H2,1-2H3,(H3,24,25,27,29)/t23-/m1/s1
Affinity DataIC50: 14nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetNon-receptor tyrosine-protein kinase TYK2 [556-871](Homo sapiens (Human))
JANSSEN PHARMACEUTICA NV

WIPO
LigandPNGBDBM576261(WO2022109580, Example 24)
Show SMILES CO[C@@]1(CCOC1)c1cc(C)cc(n1)-n1cc(-c2cnn(C)c2)n2cnc(NC(N)=O)cc12
Affinity DataIC50: 42nMAssay Description:The probe displacement assay is conducted as follows: In a 384-well plate, test compound along with recombinantly expressed His-tagged protein corres...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid