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Patent code US10080744

Compile Data Set for Download or QSAR
Found 176 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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285736
PNG
(US10080744, Example 3/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H27Cl2F3N4O5S2/c1-4-16(25(28,29)30)34-41(37,38)15-9-8-13(18(26)19(15)27)20-14(10-12-6-5-7-12)31-22(40-20)21-33-32-17(39-21)11-24(2,3)23(35)36/h8-9,12,16,34H,4-7,10-11H2,1-3H3,(H,35,36)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285762
PNG
(US10080744, Example 3/29)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(C)(C)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H29Cl2F3N4O5S2/c1-12(26(29,30)31)35-42(38,39)16-7-6-14(18(27)19(16)28)20-15(8-13-9-24(2,3)10-13)32-22(41-20)21-34-33-17(40-21)11-25(4,5)23(36)37/h6-7,12-13,35H,8-11H2,1-5H3,(H,36,37)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285753
PNG
(US10080744, Example 3/20)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H33F3N4O5S2/c1-18(30(31,32)33)37-44(39,40)24-14-13-22(20-11-7-8-12-21(20)24)26-23(15-19-9-5-4-6-10-19)34-28(43-26)27-36-35-25(42-27)16-29(2,3)41-17-38/h7-8,11-14,17-19,37H,4-6,9-10,15-16H2,1-3H3/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285799
PNG
(US10080744, Example 11/10)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2(CCC2)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H29Cl2F3N4O6S2/c1-5-17(26(29,30)31)35-43(37,38)16-8-7-14(19(27)20(16)28)21-15(11-25(39-4)9-6-10-25)32-23(42-21)22-33-18(41-34-22)12-24(2,3)40-13-36/h7-8,13,17,35H,5-6,9-12H2,1-4H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285771
PNG
(US10080744, Example 3/38)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(19(20(16)28)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285802
PNG
(US10080744, Example 12/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(11-38-9-5-8-25(29,30)12-38)34-23(44-21)22-35-18(43-36-22)10-24(2,3)42-13-39/h6-7,13,17,37H,4-5,8-12H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285733
PNG
(US10080744, Example 3/1)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12
Show InChI InChI=1S/C31H38N4O5S2/c1-30(2,3)35-42(38,39)24-16-15-22(20-13-9-10-14-21(20)24)26-23(17-19-11-7-6-8-12-19)32-28(41-26)27-34-33-25(40-27)18-31(4,5)29(36)37/h9-10,13-16,19,35H,6-8,11-12,17-18H2,1-5H3,(H,36,37)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285763
PNG
(US10080744, Example 3/30)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F5N4O5S2/c1-4-15(25(30,31)32)36-43(39,40)14-6-5-12(17(26)18(14)27)19-13(7-11-8-24(28,29)9-11)33-21(42-19)20-35-34-16(41-20)10-23(2,3)22(37)38/h5-6,11,15,36H,4,7-10H2,1-3H3,(H,37,38)/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285789
PNG
(US10080744, Example 11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-22(39-20)21-31-17(38-32-21)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285759
PNG
(US10080744, Example 3/26)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285811
PNG
(US10080744, Example 15)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)c2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C28H29Cl2F3N2O4S2/c1-16(28(31,32)33)35-41(37,38)22-11-10-20(23(29)24(22)30)25-21(13-17-6-4-7-17)34-26(40-25)19-9-5-8-18(12-19)14-27(2,3)39-15-36/h5,8-12,15-17,35H,4,6-7,13-14H2,1-3H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285798
PNG
(US10080744, Example 11/9)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)-c1noc(CC(C)(C)OC=O)n1)C(F)(F)F
Show InChI InChI=1S/C31H37F3N4O4S/c1-18(31(32,33)34)35-27(40)21-13-20(14-22(15-21)30(4)10-11-30)25-23(12-19-8-6-5-7-9-19)36-28(43-25)26-37-24(42-38-26)16-29(2,3)41-17-39/h13-15,17-19H,5-12,16H2,1-4H3,(H,35,40)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285742
PNG
(US10080744, Example 3/9)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-22(39-20)21-32-31-17(38-21)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285800
PNG
(US10080744, Example 11/11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H26ClF5N4O5S2/c1-11(25(29,30)31)35-42(38,39)15-8-7-13(17(18(15)26)20(27)28)19-14(9-12-5-4-6-12)32-22(41-19)21-33-16(40-34-21)10-24(2,3)23(36)37/h7-8,11-12,20,35H,4-6,9-10H2,1-3H3,(H,36,37)/t11-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285795
PNG
(US10080744, Example 11/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-17(26(30,31)32)36-43(38,39)16-9-8-14(19(20(16)27)22(28)29)21-15(10-13-6-5-7-13)33-24(42-21)23-34-18(41-35-23)11-25(2,3)40-12-37/h8-9,12-13,17,22,36H,4-7,10-11H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285774
PNG
(US10080744, Example 3/41)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(F)c1C(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(20(28)19(16)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285769
PNG
(US10080744, Example 3/36)
Show SMILES CC(C)(C)c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)C(O)=O)o1
Show InChI InChI=1S/C28H31F6N3O4S/c1-24(2,3)16-10-15(11-17(12-16)26(40,27(29,30)31)28(32,33)34)20-18(9-14-7-6-8-14)35-22(42-20)21-37-36-19(41-21)13-25(4,5)23(38)39/h10-12,14,40H,6-9,13H2,1-5H3,(H,38,39)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285803
PNG
(US10080744, Example 12/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-5-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(10-38-11-25(29,30)8-13(38)2)34-23(44-21)22-35-18(43-36-22)9-24(3,4)42-12-39/h6-7,12-13,17,37H,5,8-11H2,1-4H3/t13-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285812
PNG
(US10080744, Example 16)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O4S2/c1-18(30(31,32)33)37-43(39,40)26-11-10-22(21-12-13-34-16-23(21)26)27-25(14-19-6-4-7-19)36-28(42-27)24-9-5-8-20(35-24)15-29(2,3)41-17-38/h5,8-13,16-19,37H,4,6-7,14-15H2,1-3H3/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285779
PNG
(US10080744, Example 4/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H29F5N4O5S2/c1-4-21(29(32,33)34)38-45(41,42)20-10-9-18(16-7-5-6-8-17(16)20)23-19(11-15-12-28(30,31)13-15)35-25(44-23)24-37-36-22(43-24)14-27(2,3)26(39)40/h5-10,15,21,38H,4,11-14H2,1-3H3,(H,39,40)/t21-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285735
PNG
(US10080744, Example 3/3)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285781
PNG
(US10080744, Example 6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H26Cl2F5N5O4S2/c1-4-15(24(29,30)31)35-42(38,39)14-7-6-12(16(25)17(14)26)18-13(10-36-9-5-8-23(27,28)11-36)32-20(41-18)19-33-34-21(40-19)22(2,3)37/h6-7,15,35,37H,4-5,8-11H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285765
PNG
(US10080744, Example 3/32)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H25F7N4O5S2/c1-4-18(28(33,34)35)39-46(42,43)17-10-9-15(20(21(17)30)23(31)32)22-16(11-13-5-7-14(29)8-6-13)36-25(45-22)24-38-37-19(44-24)12-27(2,3)26(40)41/h5-10,18,23,39H,4,11-12H2,1-3H3,(H,40,41)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285796
PNG
(US10080744, Example 11/7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(c1F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H27F7N4O5S2/c1-4-17(25(28,29)30)37-44(39,40)16-9-8-14(19(20(16)27)26(31,32)33)21-15(10-13-6-5-7-13)34-23(43-21)22-35-18(42-36-22)11-24(2,3)41-12-38/h8-9,12-13,17,37H,4-7,10-11H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285730
PNG
(US10080744, Example 1/1)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12
Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285810
PNG
(US10080744, Example 14)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C)on2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H28Cl2F3N3O3S2/c1-13(25(28,29)30)33-38(34,35)19-9-8-16(20(26)21(19)27)22-17(10-14-6-5-7-14)31-23(37-22)18-11-15(36-32-18)12-24(2,3)4/h8-9,11,13-14,33H,5-7,10,12H2,1-4H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285757
PNG
(US10080744, Example 3/24)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-13(27(31,32)33)37-44(40,41)17-10-9-15(19(20(17)28)22(29)30)21-16(11-14-7-5-4-6-8-14)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13-14,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285766
PNG
(US10080744, Example 3/33)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H22Cl2F4N4O5S2/c1-12(26(30,31)32)36-43(39,40)17-9-8-15(19(27)20(17)28)21-16(10-13-4-6-14(29)7-5-13)33-23(42-21)22-35-34-18(41-22)11-25(2,3)24(37)38/h4-9,12,36H,10-11H2,1-3H3,(H,37,38)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285793
PNG
(US10080744, Example 11/4)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O6S2/c1-15(26(28,29)30)37-45(39,40)17-9-10-18(20(12-17)42-27(31,32)33)22-19(11-16-7-5-4-6-8-16)34-24(44-22)23-35-21(43-36-23)13-25(2,3)41-14-38/h9-10,12,14-16,37H,4-8,11,13H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285773
PNG
(US10080744, Example 3/40)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28ClF5N4O5S2/c1-12(26(30,31)32)36-43(39,40)16-9-8-14(18(19(16)27)21(28)29)20-15(10-13-6-4-5-7-13)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12-13,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285791
PNG
(US10080744, Example 11/2)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(19-11-12-33-15-21(19)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285775
PNG
(US10080744, Example 3/42)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(Cc2ccc(F)cc2)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H20F9N3O4S/c1-24(2,23(40)41)11-18-38-39-21(43-18)22-37-17(9-12-3-6-14(28)7-4-12)19(44-22)15-8-5-13(10-16(15)20(29)30)25(42,26(31,32)33)27(34,35)36/h3-8,10,20,42H,9,11H2,1-2H3,(H,40,41)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285790
PNG
(US10080744, Example 11/1)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O6S2/c1-13(24(26,27)28)35-43(37,38)15-7-8-16(18(10-15)40-25(29,30)31)20-17(9-14-5-4-6-14)32-22(42-20)21-33-19(41-34-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285746
PNG
(US10080744, Example 3/13)
Show SMILES CC(C)Cc1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C23H25Cl2F3N4O5S2/c1-11(2)8-14-19(38-21(29-14)20-31-30-16(37-20)9-22(4,5)36-10-33)13-6-7-15(18(25)17(13)24)39(34,35)32-12(3)23(26,27)28/h6-7,10-12,32H,8-9H2,1-5H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285792
PNG
(US10080744, Example 11/3)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(21-15-33-12-11-19(21)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285732
PNG
(US10080744, Example 3 | US10080744, Example 3/8b)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl2N4O5S2/c1-24(2,3)31-38(34,35)16-10-9-14(18(26)19(16)27)20-15(11-13-7-6-8-13)28-22(37-20)21-30-29-17(36-21)12-25(4,5)23(32)33/h9-10,13,31H,6-8,11-12H2,1-5H3,(H,32,33)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285754
PNG
(US10080744, Example 3/21)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O6S2/c1-15(26(28,29)30)37-45(39,40)17-9-10-18(20(12-17)43-27(31,32)33)22-19(11-16-7-5-4-6-8-16)34-24(44-22)23-36-35-21(42-23)13-25(2,3)41-14-38/h9-10,12,14-16,37H,4-8,11,13H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285815
PNG
(US10080744, Example 18)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H26Cl2F3N3O4S3/c1-12(25(28,29)30)33-40(36,37)17-8-7-14(19(26)20(17)27)21-15(9-13-5-4-6-13)32-22(39-21)16-11-31-18(38-16)10-24(2,3)23(34)35/h7-8,11-13,33H,4-6,9-10H2,1-3H3,(H,34,35)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285768
PNG
(US10080744, Example 3/35)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)OC=O)o1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N4O4S/c1-16(29(30,31)32)33-24(38)19-11-18(12-20(13-19)28(4)8-9-28)23-21(10-17-6-5-7-17)34-26(41-23)25-36-35-22(40-25)14-27(2,3)39-15-37/h11-13,15-17H,5-10,14H2,1-4H3,(H,33,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285797
PNG
(US10080744, Example 11/8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-32-17(40-33-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285804
PNG
(US10080744, Example 12/3)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-5-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(10-40-11-26(31,32)8-12(40)2)36-23(46-20)22-37-17(45-38-22)9-25(3,4)24(41)42/h6-7,12,16,21,39H,5,8-11H2,1-4H3,(H,41,42)/t12-,16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285801
PNG
(US10080744, Example 12)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-4-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(11-40-9-5-8-26(31,32)12-40)36-23(46-20)22-37-17(45-38-22)10-25(2,3)24(41)42/h6-7,16,21,39H,4-5,8-12H2,1-3H3,(H,41,42)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285756
PNG
(US10080744, Example 3/23)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O5S2/c1-4-23(30(31,32)33)38-45(41,42)22-11-10-19(18-12-13-34-16-20(18)22)25-21(14-17-8-6-5-7-9-17)35-27(44-25)26-37-36-24(43-26)15-29(2,3)28(39)40/h10-13,16-17,23,38H,4-9,14-15H2,1-3H3,(H,39,40)/t23-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285813
PNG
(US10080744, Example 17)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)OC=O)ncn2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H27Cl2F3N4O4S2/c1-14(26(29,30)31)35-41(37,38)20-8-7-17(21(27)22(20)28)23-18(9-15-5-4-6-15)34-24(40-23)19-10-16(32-12-33-19)11-25(2,3)39-13-36/h7-8,10,12-15,35H,4-6,9,11H2,1-3H3/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285752
PNG
(US10080744, Example 3/19)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N4O5S2/c1-4-19(25(27,28)29)33-40(35,36)15-8-9-16(17(26)11-15)21-18(10-14-6-5-7-14)30-23(39-21)22-32-31-20(38-22)12-24(2,3)37-13-34/h8-9,11,13-14,19,33H,4-7,10,12H2,1-3H3/t19-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285751
PNG
(US10080744, Example 3/18)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O6S2/c1-4-19(25(27,28)29)36-44(38,39)15-8-9-16(18(11-15)42-26(30,31)32)21-17(10-14-6-5-7-14)33-23(43-21)22-35-34-20(41-22)12-24(2,3)40-13-37/h8-9,11,13-14,19,36H,4-7,10,12H2,1-3H3/t19-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285740
PNG
(US10080744, Example 3/8a)
Show SMILES CC(N1CCOCC1(C)C)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12
Show InChI InChI=1S/C33H40N4O4S/c1-20(37-15-16-40-19-33(37,4)5)22-13-14-25(24-12-7-6-11-23(22)24)28-26(17-21-9-8-10-21)34-30(42-28)29-36-35-27(41-29)18-32(2,3)31(38)39/h6-7,11-14,20-21H,8-10,15-19H2,1-5H3,(H,38,39)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285794
PNG
(US10080744, Example 11/5)
Show SMILES C[C@H](NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)25-18-10-5-4-9-17(18)19(13-31-25)22-20(11-16-7-6-8-16)32-24(41-22)23-33-21(40-34-23)12-26(2,3)39-14-36/h4-5,9-10,13-16,35H,6-8,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285787
PNG
(US10080744, Example 9)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)s2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O4S3/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-21(39-20)22-32-31-17(38-22)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285748
PNG
(US10080744, Example 3/15)
Show SMILES C[C@H](NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)27-20-12-8-7-11-19(20)21(15-33-27)24-22(13-18-9-5-4-6-10-18)34-26(43-24)25-36-35-23(42-25)14-28(2,3)41-16-38/h7-8,11-12,15-18,37H,4-6,9-10,13-14H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285782
PNG
(US10080744, Example 7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-16(26(31,32)33)37-45(41,42)15-7-6-13(18(27)19(15)28)20-14(11-38-9-5-8-25(29,30)12-38)34-22(44-20)21-36-35-17(43-21)10-24(2,3)23(39)40/h6-7,16,37H,4-5,8-12H2,1-3H3,(H,39,40)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285737
PNG
(US10080744, Example 3/5)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(c(Cl)c1Cl)S(=O)(=O)NCC(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H23Cl2F3N4O5S2/c1-22(2,21(33)34)9-15-31-32-19(37-15)20-30-13(8-11-4-3-5-11)18(38-20)12-6-7-14(17(25)16(12)24)39(35,36)29-10-23(26,27)28/h6-7,11,29H,3-5,8-10H2,1-2H3,(H,33,34)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285764
PNG
(US10080744, Example 3/31)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H27F5N4O5S2/c1-14(28(31,32)33)37-44(40,41)20-9-8-18(16-6-4-5-7-17(16)20)22-19(10-15-11-27(29,30)12-15)34-24(43-22)23-36-35-21(42-23)13-26(2,3)25(38)39/h4-9,14-15,37H,10-13H2,1-3H3,(H,38,39)/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285777
PNG
((S)-3-(5-(5-(2,3-Dichloro-4-(N-(1,1,1-trifluorobut...)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-33-32-17(40-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285744
PNG
(US10080744, Example 3/11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O6S2/c1-13(24(26,27)28)35-43(37,38)15-7-8-16(18(10-15)41-25(29,30)31)20-17(9-14-5-4-6-14)32-22(42-20)21-34-33-19(40-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285806
PNG
(US10080744, Example 12/5)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC(F)(F)[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-5-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(11-40-9-8-26(31,32)12(40)2)36-23(46-20)22-37-17(45-38-22)10-25(3,4)24(41)42/h6-7,12,16,21,39H,5,8-11H2,1-4H3,(H,41,42)/t12-,16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285780
PNG
(US10080744, Example 5)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(o2)[C@H]2C[C@@H](C2)OC=O)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F3N4O5S2/c1-11(24(27,28)29)33-40(35,36)17-6-5-15(18(25)19(17)26)20-16(7-12-3-2-4-12)30-23(39-20)22-32-31-21(38-22)13-8-14(9-13)37-10-34/h5-6,10-14,33H,2-4,7-9H2,1H3/t11-,13-,14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285807
PNG
(US10080744, Example 12/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)CC2(C)C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H31F8N5O5S2/c1-6-16(28(34,35)36)40-48(44,45)15-8-7-13(18(19(15)29)21(30)31)20-14(10-41-12-27(32,33)11-26(41,4)5)37-23(47-20)22-38-17(46-39-22)9-25(2,3)24(42)43/h7-8,16,21,40H,6,9-12H2,1-5H3,(H,42,43)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285785
PNG
(US10080744, Example 8/2)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CN2CCCC(F)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H22Cl2F8N4O4S/c1-21(2,20(40)41)8-14-37-38-18(43-14)19-36-13(9-39-7-3-6-22(28,29)10-39)17(44-19)11-4-5-12(16(27)15(11)26)23(42,24(30,31)32)25(33,34)35/h4-5,42H,3,6-10H2,1-2H3,(H,40,41)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285731
PNG
(US10080744, Example 2)
Show SMILES Cc1nnc(o1)-c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H32N4O3S2/c1-17-29-30-25(34-17)26-28-22(16-18-10-6-5-7-11-18)24(35-26)21-14-15-23(20-13-9-8-12-19(20)21)36(32,33)31-27(2,3)4/h8-9,12-15,18,31H,5-7,10-11,16H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285743
PNG
(US10080744, Example 3/10)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N4O5S2/c1-13(24(26,27)28)32-39(34,35)15-7-8-16(17(25)10-15)20-18(9-14-5-4-6-14)29-22(38-20)21-31-30-19(37-21)11-23(2,3)36-12-33/h7-8,10,12-14,32H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285772
PNG
(US10080744, Example 3/39)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2COC(C)C)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O6S2/c1-6-21(28(29,30)31)35-43(38,39)20-12-11-18(16-9-7-8-10-17(16)20)23-19(14-40-15(2)3)32-25(42-23)24-34-33-22(41-24)13-27(4,5)26(36)37/h7-12,15,21,35H,6,13-14H2,1-5H3,(H,36,37)/t21-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285770
PNG
(US10080744, Example 3/37)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(CC1)C(F)(F)F)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)C(O)=O)o1)C(F)(F)F
Show InChI InChI=1S/C29H30F6N4O4S/c1-14(28(30,31)32)36-22(40)17-10-16(11-18(12-17)27(7-8-27)29(33,34)35)21-19(9-15-5-4-6-15)37-24(44-21)23-39-38-20(43-23)13-26(2,3)25(41)42/h10-12,14-15H,4-9,13H2,1-3H3,(H,36,40)(H,41,42)/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285745
PNG
(US10080744, Example 3/12)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O5S2/c1-13(24(26,27)28)35-42(37,38)15-7-8-16(17(10-15)25(29,30)31)20-18(9-14-5-4-6-14)32-22(41-20)21-34-33-19(40-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285760
PNG
(US10080744, Example 3/27)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H33F3N4O6S2/c1-7-22(29(30,31)32)36-44(38,39)21-13-12-19(17-10-8-9-11-18(17)21)24-20(14-27(2,3)40-6)33-26(43-24)25-35-34-23(42-25)15-28(4,5)41-16-37/h8-13,16,22,36H,7,14-15H2,1-6H3/t22-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285747
PNG
(US10080744, Example 3/14)
Show SMILES CC(C)Cc1nc(sc1-c1ccc(cc1OC(F)(F)F)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C24H26F6N4O6S2/c1-12(2)8-16-19(41-21(31-16)20-33-32-18(39-20)10-22(4,5)38-11-35)15-7-6-14(9-17(15)40-24(28,29)30)42(36,37)34-13(3)23(25,26)27/h6-7,9,11-13,34H,8,10H2,1-5H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285776
PNG
((R)-3-(5-(4-(cyclobutylmethyl)-5-(2-(difluoromethy...)
Show SMILES CC[C@@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285783
PNG
(US10080744, Example 8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H](F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H33F4N5O5S2/c1-4-23(30(32,33)34)38-46(42,43)22-12-11-20(18-9-5-6-10-19(18)22)25-21(16-39-13-7-8-17(31)15-39)35-27(45-25)26-37-36-24(44-26)14-29(2,3)28(40)41/h5-6,9-12,17,23,38H,4,7-8,13-16H2,1-3H3,(H,40,41)/t17-,23+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285739
PNG
(US10080744, Example 3/7)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(CN2CCOCC2(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C32H38N4O4S/c1-31(2,30(37)38)17-26-34-35-28(40-26)29-33-25(16-20-8-7-9-20)27(41-29)24-13-12-21(22-10-5-6-11-23(22)24)18-36-14-15-39-19-32(36,3)4/h5-6,10-13,20H,7-9,14-19H2,1-4H3,(H,37,38)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285784
PNG
(US10080744, Example 8/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H32F5N5O5S2/c1-4-22(30(33,34)35)39-47(43,44)21-11-10-19(17-8-5-6-9-18(17)21)24-20(15-40-13-7-12-29(31,32)16-40)36-26(46-24)25-38-37-23(45-25)14-28(2,3)27(41)42/h5-6,8-11,22,39H,4,7,12-16H2,1-3H3,(H,41,42)/t22-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285786
PNG
(US10080744, Example 8/3)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CN2CCC[C@@H](F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H23Cl2F7N4O4S/c1-22(2,21(39)40)8-15-36-37-19(42-15)20-35-14(10-38-7-3-4-11(28)9-38)18(43-20)12-5-6-13(17(27)16(12)26)23(41,24(29,30)31)25(32,33)34/h5-6,11,41H,3-4,7-10H2,1-2H3,(H,39,40)/t11-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285755
PNG
(US10080744, Example 3/22)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-16(29(30,31)32)37-44(40,41)22-10-9-19(18-11-12-33-15-20(18)22)24-21(13-17-7-5-4-6-8-17)34-26(43-24)25-36-35-23(42-25)14-28(2,3)27(38)39/h9-12,15-17,37H,4-8,13-14H2,1-3H3,(H,38,39)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285767
PNG
(3-(5-(4-(Cyclobutylmethyl)-5-(2,3-dichloro-4-(1,1,...)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C24H21Cl2F6N3O4S/c1-21(2,20(36)37)9-14-34-35-18(39-14)19-33-13(8-10-4-3-5-10)17(40-19)11-6-7-12(16(26)15(11)25)22(38,23(27,28)29)24(30,31)32/h6-7,10,38H,3-5,8-9H2,1-2H3,(H,36,37)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285786
PNG
(US10080744, Example 8/3)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CN2CCC[C@@H](F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H23Cl2F7N4O4S/c1-22(2,21(39)40)8-15-36-37-19(42-15)20-35-14(10-38-7-3-4-11(28)9-38)18(43-20)12-5-6-13(17(27)16(12)26)23(41,24(29,30)31)25(32,33)34/h5-6,11,41H,3-4,7-10H2,1-2H3,(H,39,40)/t11-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285783
PNG
(US10080744, Example 8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H](F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H33F4N5O5S2/c1-4-23(30(32,33)34)38-46(42,43)22-12-11-20(18-9-5-6-10-19(18)22)25-21(16-39-13-7-8-17(31)15-39)35-27(45-25)26-37-36-24(44-26)14-29(2,3)28(40)41/h5-6,9-12,17,23,38H,4,7-8,13-16H2,1-3H3,(H,40,41)/t17-,23+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285732
PNG
(US10080744, Example 3 | US10080744, Example 3/8b)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl2N4O5S2/c1-24(2,3)31-38(34,35)16-10-9-14(18(26)19(16)27)20-15(11-13-7-6-8-13)28-22(37-20)21-30-29-17(36-21)12-25(4,5)23(32)33/h9-10,13,31H,6-8,11-12H2,1-5H3,(H,32,33)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285814
PNG
(US10080744, Example 17/1)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)OC=O)ncn2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O4S2/c1-17(29(30,31)32)37-43(39,40)25-8-7-21(20-9-10-33-14-22(20)25)26-23(11-18-5-4-6-18)36-27(42-26)24-12-19(34-15-35-24)13-28(2,3)41-16-38/h7-10,12,14-18,37H,4-6,11,13H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285805
PNG
(US10080744, Example 12/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N5O5S2/c1-5-17(27(31,32)33)37-45(41,42)16-9-8-14(19(20(16)28)22(29)30)21-15(12-38-10-6-7-13(38)2)34-24(44-21)23-35-18(43-36-23)11-26(3,4)25(39)40/h8-9,13,17,22,37H,5-7,10-12H2,1-4H3,(H,39,40)/t13-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285805
PNG
(US10080744, Example 12/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N5O5S2/c1-5-17(27(31,32)33)37-45(41,42)16-9-8-14(19(20(16)28)22(29)30)21-15(12-38-10-6-7-13(38)2)34-24(44-21)23-35-18(43-36-23)11-26(3,4)25(39)40/h8-9,13,17,22,37H,5-7,10-12H2,1-4H3,(H,39,40)/t13-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285738
PNG
(US10080744, Example 3/6)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(CN2CCOCC2(C)C)c(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-27(2,26(35)36)13-20-32-33-24(38-20)25-31-19(12-16-6-5-7-16)23(39-25)18-9-8-17(21(29)22(18)30)14-34-10-11-37-15-28(34,3)4/h8-9,16H,5-7,10-15H2,1-4H3,(H,35,36)
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285808
PNG
(US10080744, Example 12/7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H]2CF)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F7N5O5S2/c1-4-17(27(32,33)34)38-46(42,43)16-8-7-14(19(20(16)29)22(30)31)21-15(12-39-9-5-6-13(39)11-28)35-24(45-21)23-36-18(44-37-23)10-26(2,3)25(40)41/h7-8,13,17,22,38H,4-6,9-12H2,1-3H3,(H,40,41)/t13-,17+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285761
PNG
(US10080744, Example 3/28)
Show SMILES COC(C)(C)Cc1nc(sc1-c1ccc(c2ccccc12)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C28H31F3N4O6S2/c1-16(28(29,30)31)35-43(37,38)21-12-11-19(17-9-7-8-10-18(17)21)23-20(13-26(2,3)39-6)32-25(42-23)24-34-33-22(41-24)14-27(4,5)40-15-36/h7-12,15-16,35H,13-14H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285749
PNG
(US10080744, Example 3/16)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)21-8-7-18(17-9-10-31-13-19(17)21)23-20(11-16-5-4-6-16)32-25(41-23)24-34-33-22(40-24)12-26(2,3)39-14-36/h7-10,13-16,35H,4-6,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285750
PNG
(US10080744, Example 3/17)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)21-8-7-18(19-13-31-10-9-17(19)21)23-20(11-16-5-4-6-16)32-25(41-23)24-34-33-22(40-24)12-26(2,3)39-14-36/h7-10,13-16,35H,4-6,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
The human Th17 assay tests the effect of RORγt modulatory compounds on IL-17 production by CD4 T cells under conditions which favor Th17 differe...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285750
PNG
(US10080744, Example 3/17)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)21-8-7-18(19-13-31-10-9-17(19)21)23-20(11-16-5-4-6-16)32-25(41-23)24-34-33-22(40-24)12-26(2,3)39-14-36/h7-10,13-16,35H,4-6,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
Cells used in this assay were transiently co-transfected with three different plasmids, one expressing the GAL4-DNA binding domain (DBD)-RORγt f...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285801
PNG
(US10080744, Example 12)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-4-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(11-40-9-5-8-26(31,32)12-40)36-23(46-20)22-37-17(45-38-22)10-25(2,3)24(41)42/h6-7,16,21,39H,4-5,8-12H2,1-3H3,(H,41,42)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285803
PNG
(US10080744, Example 12/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-5-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(10-38-11-25(29,30)8-13(38)2)34-23(44-21)22-35-18(43-36-22)9-24(3,4)42-12-39/h6-7,12-13,17,37H,5,8-11H2,1-4H3/t13-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285806
PNG
(US10080744, Example 12/5)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC(F)(F)[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-5-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(11-40-9-8-26(31,32)12(40)2)36-23(46-20)22-37-17(45-38-22)10-25(3,4)24(41)42/h6-7,12,16,21,39H,5,8-11H2,1-4H3,(H,41,42)/t12-,16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285691
PNG
(US10080744, Example 1)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(cc1C(F)(F)F)-c1sc(nc1CC1CCCCC1)-c1nnc(o1)C(C)(C)O
Show InChI InChI=1S/C26H33F3N4O4S2/c1-24(2,3)33-39(35,36)19-12-11-16(14-17(19)26(27,28)29)20-18(13-15-9-7-6-8-10-15)30-22(38-20)21-31-32-23(37-21)25(4,5)34/h11-12,14-15,33-34H,6-10,13H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285731
PNG
(US10080744, Example 2)
Show SMILES Cc1nnc(o1)-c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H32N4O3S2/c1-17-29-30-25(34-17)26-28-22(16-18-10-6-5-7-11-18)24(35-26)21-14-15-23(20-13-9-8-12-19(20)21)36(32,33)31-27(2,3)4/h8-9,12-15,18,31H,5-7,10-11,16H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285752
PNG
(US10080744, Example 3/19)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C25H28ClF3N4O5S2/c1-4-19(25(27,28)29)33-40(35,36)15-8-9-16(17(26)11-15)21-18(10-14-6-5-7-14)30-23(39-21)22-32-31-20(38-22)12-24(2,3)37-13-34/h8-9,11,13-14,19,33H,4-7,10,12H2,1-3H3/t19-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285776
PNG
((R)-3-(5-(4-(cyclobutylmethyl)-5-(2-(difluoromethy...)
Show SMILES CC[C@@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285758
PNG
(US10080744, Example 3/25 | US10080744, Example 4/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-16(26(30,31)32)36-43(39,40)15-9-8-13(18(19(15)27)21(28)29)20-14(10-12-6-5-7-12)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12,16,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285786
PNG
(US10080744, Example 8/3)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CN2CCC[C@@H](F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H23Cl2F7N4O4S/c1-22(2,21(39)40)8-15-36-37-19(42-15)20-35-14(10-38-7-3-4-11(28)9-38)18(43-20)12-5-6-13(17(27)16(12)26)23(41,24(29,30)31)25(32,33)34/h5-6,11,41H,3-4,7-10H2,1-2H3,(H,39,40)/t11-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285793
PNG
(US10080744, Example 11/4)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O6S2/c1-15(26(28,29)30)37-45(39,40)17-9-10-18(20(12-17)42-27(31,32)33)22-19(11-16-7-5-4-6-8-16)34-24(44-22)23-35-21(43-36-23)13-25(2,3)41-14-38/h9-10,12,14-16,37H,4-8,11,13H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285795
PNG
(US10080744, Example 11/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O5S2/c1-4-17(26(30,31)32)36-43(38,39)16-9-8-14(19(20(16)27)22(28)29)21-15(10-13-6-5-7-13)33-24(42-21)23-34-18(41-35-23)11-25(2,3)40-12-37/h8-9,12-13,17,22,36H,4-7,10-11H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285796
PNG
(US10080744, Example 11/7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(c1F)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H27F7N4O5S2/c1-4-17(25(28,29)30)37-44(39,40)16-9-8-14(19(20(16)27)26(31,32)33)21-15(10-13-6-5-7-13)34-23(43-21)22-35-18(42-36-22)11-24(2,3)41-12-38/h8-9,12-13,17,37H,4-7,10-11H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285807
PNG
(US10080744, Example 12/6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)CC2(C)C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H31F8N5O5S2/c1-6-16(28(34,35)36)40-48(44,45)15-8-7-13(18(19(15)29)21(30)31)20-14(10-41-12-27(32,33)11-26(41,4)5)37-23(47-20)22-38-17(46-39-22)9-25(2,3)24(42)43/h7-8,16,21,40H,6,9-12H2,1-5H3,(H,42,43)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285745
PNG
(US10080744, Example 3/12)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O5S2/c1-13(24(26,27)28)35-42(37,38)15-7-8-16(17(10-15)25(29,30)31)20-18(9-14-5-4-6-14)32-22(41-20)21-34-33-19(40-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285755
PNG
(US10080744, Example 3/22)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-16(29(30,31)32)37-44(40,41)22-10-9-19(18-11-12-33-15-20(18)22)24-21(13-17-7-5-4-6-8-17)34-26(43-24)25-36-35-23(42-25)14-28(2,3)27(38)39/h9-12,15-17,37H,4-8,13-14H2,1-3H3,(H,38,39)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285763
PNG
(US10080744, Example 3/30)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F5N4O5S2/c1-4-15(25(30,31)32)36-43(39,40)14-6-5-12(17(26)18(14)27)19-13(7-11-8-24(28,29)9-11)33-21(42-19)20-35-34-16(41-20)10-23(2,3)22(37)38/h5-6,11,15,36H,4,7-10H2,1-3H3,(H,37,38)/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285784
PNG
(US10080744, Example 8/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H32F5N5O5S2/c1-4-22(30(33,34)35)39-47(43,44)21-11-10-19(17-8-5-6-9-18(17)21)24-20(15-40-13-7-12-29(31,32)16-40)36-26(46-24)25-38-37-23(45-25)14-28(2,3)27(41)42/h5-6,8-11,22,39H,4,7,12-16H2,1-3H3,(H,41,42)/t22-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285787
PNG
(US10080744, Example 9)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)s2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O4S3/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-21(39-20)22-32-31-17(38-22)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285799
PNG
(US10080744, Example 11/10)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2(CCC2)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H29Cl2F3N4O6S2/c1-5-17(26(29,30)31)35-43(37,38)16-8-7-14(19(27)20(16)28)21-15(11-25(39-4)9-6-10-25)32-23(42-21)22-33-18(41-34-22)12-24(2,3)40-13-36/h7-8,13,17,35H,5-6,9-12H2,1-4H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285802
PNG
(US10080744, Example 12/1)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-17(26(31,32)33)37-45(40,41)16-7-6-14(19(27)20(16)28)21-15(11-38-9-5-8-25(29,30)12-38)34-23(44-21)22-35-18(43-36-22)10-24(2,3)42-13-39/h6-7,13,17,37H,4-5,8-12H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285813
PNG
(US10080744, Example 17)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)OC=O)ncn2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H27Cl2F3N4O4S2/c1-14(26(29,30)31)35-41(37,38)20-8-7-17(21(27)22(20)28)23-18(9-15-5-4-6-15)34-24(40-23)19-10-16(32-12-33-19)11-25(2,3)39-13-36/h7-8,10,12-15,35H,4-6,9,11H2,1-3H3/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285815
PNG
(US10080744, Example 18)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cnc(CC(C)(C)C(O)=O)s2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H26Cl2F3N3O4S3/c1-12(25(28,29)30)33-40(36,37)17-8-7-14(19(26)20(17)27)21-15(9-13-5-4-6-13)32-22(39-21)16-11-31-18(38-16)10-24(2,3)23(34)35/h7-8,11-13,33H,4-6,9-10H2,1-3H3,(H,34,35)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285736
PNG
(US10080744, Example 3/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H27Cl2F3N4O5S2/c1-4-16(25(28,29)30)34-41(37,38)15-9-8-13(18(26)19(15)27)20-14(10-12-6-5-7-12)31-22(40-20)21-33-32-17(39-21)11-24(2,3)23(35)36/h8-9,12,16,34H,4-7,10-11H2,1-3H3,(H,35,36)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285740
PNG
(US10080744, Example 3/8a)
Show SMILES CC(N1CCOCC1(C)C)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12
Show InChI InChI=1S/C33H40N4O4S/c1-20(37-15-16-40-19-33(37,4)5)22-13-14-25(24-12-7-6-11-23(22)24)28-26(17-21-9-8-10-21)34-30(42-28)29-36-35-27(41-29)18-32(2,3)31(38)39/h6-7,11-14,20-21H,8-10,15-19H2,1-5H3,(H,38,39)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285751
PNG
(US10080744, Example 3/18)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C26H28F6N4O6S2/c1-4-19(25(27,28)29)36-44(38,39)15-8-9-16(18(11-15)42-26(30,31)32)21-17(10-14-6-5-7-14)33-23(43-21)22-35-34-20(41-22)12-24(2,3)40-13-37/h8-9,11,13-14,19,36H,4-7,10,12H2,1-3H3/t19-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285753
PNG
(US10080744, Example 3/20)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H33F3N4O5S2/c1-18(30(31,32)33)37-44(39,40)24-14-13-22(20-11-7-8-12-21(20)24)26-23(15-19-9-5-4-6-10-19)34-28(43-26)27-36-35-25(42-27)16-29(2,3)41-17-38/h7-8,11-14,17-19,37H,4-6,9-10,15-16H2,1-3H3/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285770
PNG
(US10080744, Example 3/37)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(CC1)C(F)(F)F)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)C(O)=O)o1)C(F)(F)F
Show InChI InChI=1S/C29H30F6N4O4S/c1-14(28(30,31)32)36-22(40)17-10-16(11-18(12-17)27(7-8-27)29(33,34)35)21-19(9-15-5-4-6-15)37-24(44-21)23-39-38-20(43-23)13-26(2,3)25(41)42/h10-12,14-15H,4-9,13H2,1-3H3,(H,36,40)(H,41,42)/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285774
PNG
(US10080744, Example 3/41)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(F)c1C(F)F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(20(28)19(16)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285792
PNG
(US10080744, Example 11/3)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(21-15-33-12-11-19(21)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285737
PNG
(US10080744, Example 3/5)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(c(Cl)c1Cl)S(=O)(=O)NCC(F)(F)F)C(O)=O
Show InChI InChI=1S/C23H23Cl2F3N4O5S2/c1-22(2,21(33)34)9-15-31-32-19(37-15)20-30-13(8-11-4-3-5-11)18(38-20)12-6-7-14(17(25)16(12)24)39(35,36)29-10-23(26,27)28/h6-7,11,29H,3-5,8-10H2,1-2H3,(H,33,34)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285738
PNG
(US10080744, Example 3/6)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(CN2CCOCC2(C)C)c(Cl)c1Cl)C(O)=O
Show InChI InChI=1S/C28H34Cl2N4O4S/c1-27(2,26(35)36)13-20-32-33-24(38-20)25-31-19(12-16-6-5-7-16)23(39-25)18-9-8-17(21(29)22(18)30)14-34-10-11-37-15-28(34,3)4/h8-9,16H,5-7,10-15H2,1-4H3,(H,35,36)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285732
PNG
(US10080744, Example 3 | US10080744, Example 3/8b)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl2N4O5S2/c1-24(2,3)31-38(34,35)16-10-9-14(18(26)19(16)27)20-15(11-13-7-6-8-13)28-22(37-20)21-30-29-17(36-21)12-25(4,5)23(32)33/h9-10,13,31H,6-8,11-12H2,1-5H3,(H,32,33)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285748
PNG
(US10080744, Example 3/15)
Show SMILES C[C@H](NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)27-20-12-8-7-11-19(20)21(15-33-27)24-22(13-18-9-5-4-6-10-18)34-26(43-24)25-36-35-23(42-25)14-28(2,3)41-16-38/h7-8,11-12,15-18,37H,4-6,9-10,13-14H2,1-3H3/t17-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285749
PNG
(US10080744, Example 3/16)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)21-8-7-18(17-9-10-31-13-19(17)21)23-20(11-16-5-4-6-16)32-25(41-23)24-34-33-22(40-24)12-26(2,3)39-14-36/h7-10,13-16,35H,4-6,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285754
PNG
(US10080744, Example 3/21)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O6S2/c1-15(26(28,29)30)37-45(39,40)17-9-10-18(20(12-17)43-27(31,32)33)22-19(11-16-7-5-4-6-8-16)34-24(44-22)23-36-35-21(42-23)13-25(2,3)41-14-38/h9-10,12,14-16,37H,4-8,11,13H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285757
PNG
(US10080744, Example 3/24)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-13(27(31,32)33)37-44(40,41)17-10-9-15(19(20(17)28)22(29)30)21-16(11-14-7-5-4-6-8-14)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13-14,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285766
PNG
(US10080744, Example 3/33)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H22Cl2F4N4O5S2/c1-12(26(30,31)32)36-43(39,40)17-9-8-15(19(27)20(17)28)21-16(10-13-4-6-14(29)7-5-13)33-23(42-21)22-35-34-18(41-22)11-25(2,3)24(37)38/h4-9,12,36H,10-11H2,1-3H3,(H,37,38)/t12-/m0/s1
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n/an/an/a 0.0700n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285768
PNG
(US10080744, Example 3/35)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)OC=O)o1)C(F)(F)F
Show InChI InChI=1S/C29H33F3N4O4S/c1-16(29(30,31)32)33-24(38)19-11-18(12-20(13-19)28(4)8-9-28)23-21(10-17-6-5-7-17)34-26(41-23)25-36-35-22(40-25)14-27(2,3)39-15-37/h11-13,15-17H,5-10,14H2,1-4H3,(H,33,38)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285788
PNG
(US10080744, Example 10)
Show SMILES Cc1nc(no1)-c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H32N4O3S2/c1-17-28-25(30-34-17)26-29-22(16-18-10-6-5-7-11-18)24(35-26)21-14-15-23(20-13-9-8-12-19(20)21)36(32,33)31-27(2,3)4/h8-9,12-15,18,31H,5-7,10-11,16H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285794
PNG
(US10080744, Example 11/5)
Show SMILES C[C@H](NS(=O)(=O)c1ncc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)25-18-10-5-4-9-17(18)19(13-31-25)22-20(11-16-7-6-8-16)32-24(41-22)23-33-21(40-34-23)12-26(2,3)39-14-36/h4-5,9-10,13-16,35H,6-8,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285811
PNG
(US10080744, Example 15)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)c2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C28H29Cl2F3N2O4S2/c1-16(28(31,32)33)35-41(37,38)22-11-10-20(23(29)24(22)30)25-21(13-17-6-4-7-17)34-26(40-25)19-9-5-8-18(12-19)14-27(2,3)39-15-36/h5,8-12,15-17,35H,4,6-7,13-14H2,1-3H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285744
PNG
(US10080744, Example 3/11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O6S2/c1-13(24(26,27)28)35-43(37,38)15-7-8-16(18(10-15)41-25(29,30)31)20-17(9-14-5-4-6-14)32-22(42-20)21-34-33-19(40-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285747
PNG
(US10080744, Example 3/14)
Show SMILES CC(C)Cc1nc(sc1-c1ccc(cc1OC(F)(F)F)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C24H26F6N4O6S2/c1-12(2)8-16-19(41-21(31-16)20-33-32-18(39-20)10-22(4,5)38-11-35)15-7-6-14(9-17(15)40-24(28,29)30)42(36,37)34-13(3)23(25,26)27/h6-7,9,11-13,34H,8,10H2,1-5H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285750
PNG
(US10080744, Example 3/17)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c2cnccc12)C(F)(F)F
Show InChI InChI=1S/C27H28F3N5O5S2/c1-15(27(28,29)30)35-42(37,38)21-8-7-18(19-13-31-10-9-17(19)21)23-20(11-16-5-4-6-16)32-25(41-23)24-34-33-22(40-24)12-26(2,3)39-14-36/h7-10,13-16,35H,4-6,11-12H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285762
PNG
(US10080744, Example 3/29)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(C)(C)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H29Cl2F3N4O5S2/c1-12(26(29,30)31)35-42(38,39)16-7-6-14(18(27)19(16)28)20-15(8-13-9-24(2,3)10-13)32-22(41-20)21-34-33-17(40-21)11-25(4,5)23(36)37/h6-7,12-13,35H,8-11H2,1-5H3,(H,36,37)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285767
PNG
(3-(5-(4-(Cyclobutylmethyl)-5-(2,3-dichloro-4-(1,1,...)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C24H21Cl2F6N3O4S/c1-21(2,20(36)37)9-14-34-35-18(39-14)19-33-13(8-10-4-3-5-10)17(40-19)11-6-7-12(16(26)15(11)25)22(38,23(27,28)29)24(30,31)32/h6-7,10,38H,3-5,8-9H2,1-2H3,(H,36,37)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285771
PNG
(US10080744, Example 3/38)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F6N4O5S2/c1-4-17(27(31,32)33)37-44(40,41)16-10-9-14(19(20(16)28)22(29)30)21-15(11-13-7-5-6-8-13)34-24(43-21)23-36-35-18(42-23)12-26(2,3)25(38)39/h9-10,13,17,22,37H,4-8,11-12H2,1-3H3,(H,38,39)/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285773
PNG
(US10080744, Example 3/40)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28ClF5N4O5S2/c1-12(26(30,31)32)36-43(39,40)16-9-8-14(18(19(16)27)21(28)29)20-15(10-13-6-4-5-7-13)33-23(42-20)22-35-34-17(41-22)11-25(2,3)24(37)38/h8-9,12-13,21,36H,4-7,10-11H2,1-3H3,(H,37,38)/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285777
PNG
((S)-3-(5-(5-(2,3-Dichloro-4-(N-(1,1,1-trifluorobut...)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-33-32-17(40-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285804
PNG
(US10080744, Example 12/3)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CC(F)(F)C[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N5O5S2/c1-5-16(27(33,34)35)39-47(43,44)15-7-6-13(18(19(15)28)21(29)30)20-14(10-40-11-26(31,32)8-12(40)2)36-23(46-20)22-37-17(45-38-22)9-25(3,4)24(41)42/h6-7,12,16,21,39H,5,8-11H2,1-4H3,(H,41,42)/t12-,16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285808
PNG
(US10080744, Example 12/7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H]2CF)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H30F7N5O5S2/c1-4-17(27(32,33)34)38-46(42,43)16-8-7-14(19(20(16)29)22(30)31)21-15(12-39-9-5-6-13(39)11-28)35-24(45-21)23-36-18(44-37-23)10-26(2,3)25(40)41/h7-8,13,17,22,38H,4-6,9-12H2,1-3H3,(H,40,41)/t13-,17+/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285809
PNG
(US10080744, Example 13)
Show SMILES Cc1noc(n1)-c1nc(CC2CCCCC2)c(s1)-c1ccc(c2ccccc12)S(=O)(=O)NC(C)(C)C
Show InChI InChI=1S/C27H32N4O3S2/c1-17-28-25(34-30-17)26-29-22(16-18-10-6-5-7-11-18)24(35-26)21-14-15-23(20-13-9-8-12-19(20)21)36(32,33)31-27(2,3)4/h8-9,12-15,18,31H,5-7,10-11,16H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285812
PNG
(US10080744, Example 16)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cccc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C30H31F3N4O4S2/c1-18(30(31,32)33)37-43(39,40)26-11-10-22(21-12-13-34-16-23(21)26)27-25(14-19-6-4-7-19)36-28(42-27)24-9-5-8-20(35-24)15-29(2,3)41-17-38/h5,8-13,16-19,37H,4,6-7,14-15H2,1-3H3/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285732
PNG
(US10080744, Example 3 | US10080744, Example 3/8b)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl
Show InChI InChI=1S/C25H30Cl2N4O5S2/c1-24(2,3)31-38(34,35)16-10-9-14(18(26)19(16)27)20-15(11-13-7-6-8-13)28-22(37-20)21-30-29-17(36-21)12-25(4,5)23(32)33/h9-10,13,31H,6-8,11-12H2,1-5H3,(H,32,33)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285733
PNG
(US10080744, Example 3/1)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12
Show InChI InChI=1S/C31H38N4O5S2/c1-30(2,3)35-42(38,39)24-16-15-22(20-13-9-10-14-21(20)24)26-23(17-19-11-7-6-8-12-19)32-28(41-26)27-34-33-25(40-27)18-31(4,5)29(36)37/h9-10,13-16,19,35H,6-8,11-12,17-18H2,1-5H3,(H,36,37)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285742
PNG
(US10080744, Example 3/9)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-22(39-20)21-32-31-17(38-21)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285743
PNG
(US10080744, Example 3/10)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)OC=O)o2)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C24H26ClF3N4O5S2/c1-13(24(26,27)28)32-39(34,35)15-7-8-16(17(25)10-15)20-18(9-14-5-4-6-14)29-22(38-20)21-31-30-19(37-21)11-23(2,3)36-12-33/h7-8,10,12-14,32H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285764
PNG
(US10080744, Example 3/31)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H27F5N4O5S2/c1-14(28(31,32)33)37-44(40,41)20-9-8-18(16-6-4-5-7-17(16)20)22-19(10-15-11-27(29,30)12-15)34-24(43-22)23-36-35-21(42-23)13-26(2,3)25(38)39/h4-9,14-15,37H,10-13H2,1-3H3,(H,38,39)/t14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285765
PNG
(US10080744, Example 3/32)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2Cc2ccc(F)cc2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H25F7N4O5S2/c1-4-18(28(33,34)35)39-46(42,43)17-10-9-15(20(21(17)30)23(31)32)22-16(11-13-5-7-14(29)8-6-13)36-25(45-22)24-38-37-19(44-24)12-27(2,3)26(40)41/h5-10,18,23,39H,4,11-12H2,1-3H3,(H,40,41)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285769
PNG
(US10080744, Example 3/36)
Show SMILES CC(C)(C)c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)-c1sc(nc1CC1CCC1)-c1nnc(CC(C)(C)C(O)=O)o1
Show InChI InChI=1S/C28H31F6N3O4S/c1-24(2,3)16-10-15(11-17(12-16)26(40,27(29,30)31)28(32,33)34)20-18(9-14-7-6-8-14)35-22(42-20)21-37-36-19(41-21)13-25(4,5)23(38)39/h10-12,14,40H,6-9,13H2,1-5H3,(H,38,39)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285780
PNG
(US10080744, Example 5)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(o2)[C@H]2C[C@@H](C2)OC=O)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F3N4O5S2/c1-11(24(27,28)29)33-40(35,36)17-6-5-15(18(25)19(17)26)20-16(7-12-3-2-4-12)30-23(39-20)22-32-31-21(38-22)13-8-14(9-13)37-10-34/h5-6,10-14,33H,2-4,7-9H2,1H3/t11-,13-,14-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285785
PNG
(US10080744, Example 8/2)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CN2CCCC(F)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C25H22Cl2F8N4O4S/c1-21(2,20(40)41)8-14-37-38-18(43-14)19-36-13(9-39-7-3-6-22(28,29)10-39)17(44-19)11-4-5-12(16(27)15(11)26)23(42,24(30,31)32)25(33,34)35/h4-5,42H,3,6-10H2,1-2H3,(H,40,41)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285790
PNG
(US10080744, Example 11/1)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(OC(F)(F)F)c1)C(F)(F)F
Show InChI InChI=1S/C25H26F6N4O6S2/c1-13(24(26,27)28)35-43(37,38)15-7-8-16(18(10-15)40-25(29,30)31)20-17(9-14-5-4-6-14)32-22(42-20)21-33-19(41-34-21)11-23(2,3)39-12-36/h7-8,10,12-14,35H,4-6,9,11H2,1-3H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285810
PNG
(US10080744, Example 14)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)C)on2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H28Cl2F3N3O3S2/c1-13(25(28,29)30)33-38(34,35)19-9-8-16(20(26)21(19)27)22-17(10-14-6-5-7-14)31-23(37-22)18-11-15(36-32-18)12-24(2,3)4/h8-9,11,13-14,33H,5-7,10,12H2,1-4H3/t13-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285814
PNG
(US10080744, Example 17/1)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2cc(CC(C)(C)OC=O)ncn2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H30F3N5O4S2/c1-17(29(30,31)32)37-43(39,40)25-8-7-21(20-9-10-33-14-22(20)25)26-23(11-18-5-4-6-18)36-27(42-26)24-12-19(34-15-35-24)13-28(2,3)41-16-38/h7-10,12,14-18,37H,4-6,11,13H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285730
PNG
(US10080744, Example 1/1)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(o2)C(C)(C)O)c2ccccc12
Show InChI InChI=1S/C29H36N4O4S2/c1-28(2,3)33-39(35,36)23-16-15-21(19-13-9-10-14-20(19)23)24-22(17-18-11-7-6-8-12-18)30-26(38-24)25-31-32-27(37-25)29(4,5)34/h9-10,13-16,18,33-34H,6-8,11-12,17H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285756
PNG
(US10080744, Example 3/23)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C30H34F3N5O5S2/c1-4-23(30(31,32)33)38-45(41,42)22-11-10-19(18-12-13-34-16-20(18)22)25-21(14-17-8-6-5-7-9-17)35-27(44-25)26-37-36-24(43-26)15-29(2,3)28(39)40/h10-13,16-17,23,38H,4-9,14-15H2,1-3H3,(H,39,40)/t23-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285760
PNG
(US10080744, Example 3/27)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2nnc(CC(C)(C)OC=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H33F3N4O6S2/c1-7-22(29(30,31)32)36-44(38,39)21-13-12-19(17-10-8-9-11-18(17)21)24-20(14-27(2,3)40-6)33-26(43-24)25-35-34-23(42-25)15-28(4,5)41-16-37/h8-13,16,22,36H,7,14-15H2,1-6H3/t22-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285761
PNG
(US10080744, Example 3/28)
Show SMILES COC(C)(C)Cc1nc(sc1-c1ccc(c2ccccc12)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C28H31F3N4O6S2/c1-16(28(29,30)31)35-43(37,38)21-12-11-19(17-9-7-8-10-18(17)21)23-20(13-26(2,3)39-6)32-25(42-23)24-34-33-22(41-24)14-27(4,5)40-15-36/h7-12,15-16,35H,13-14H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285772
PNG
(US10080744, Example 3/39)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2COC(C)C)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H31F3N4O6S2/c1-6-21(28(29,30)31)35-43(38,39)20-12-11-18(16-9-7-8-10-17(16)20)23-19(14-40-15(2)3)32-25(42-23)24-34-33-22(41-24)13-27(4,5)26(36)37/h7-12,15,21,35H,6,13-14H2,1-5H3,(H,36,37)/t21-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285775
PNG
(US10080744, Example 3/42)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(Cc2ccc(F)cc2)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O
Show InChI InChI=1S/C27H20F9N3O4S/c1-24(2,23(40)41)11-18-38-39-21(43-18)22-37-17(9-12-3-6-14(28)7-4-12)19(44-22)15-8-5-13(10-16(15)20(29)30)25(42,26(31,32)33)27(34,35)36/h3-8,10,20,42H,9,11H2,1-2H3,(H,40,41)
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285789
PNG
(US10080744, Example 11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H25Cl2F3N4O5S2/c1-12(24(27,28)29)33-40(35,36)16-8-7-14(18(25)19(16)26)20-15(9-13-5-4-6-13)30-22(39-20)21-31-17(38-32-21)10-23(2,3)37-11-34/h7-8,11-13,33H,4-6,9-10H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285791
PNG
(US10080744, Example 11/2)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2noc(CC(C)(C)OC=O)n2)c2ccncc12)C(F)(F)F
Show InChI InChI=1S/C29H32F3N5O5S2/c1-17(29(30,31)32)37-44(39,40)23-10-9-20(19-11-12-33-15-21(19)23)25-22(13-18-7-5-4-6-8-18)34-27(43-25)26-35-24(42-36-26)14-28(2,3)41-16-38/h9-12,15-18,37H,4-8,13-14H2,1-3H3/t17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285797
PNG
(US10080744, Example 11/8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC(C)(C)OC)-c2noc(CC(C)(C)OC=O)n2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H29Cl2F3N4O6S2/c1-7-16(25(28,29)30)34-42(36,37)15-9-8-13(18(26)19(15)27)20-14(10-23(2,3)38-6)31-22(41-20)21-32-17(40-33-21)11-24(4,5)39-12-35/h8-9,12,16,34H,7,10-11H2,1-6H3/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285798
PNG
(US10080744, Example 11/9)
Show SMILES C[C@H](NC(=O)c1cc(cc(c1)C1(C)CC1)-c1sc(nc1CC1CCCCC1)-c1noc(CC(C)(C)OC=O)n1)C(F)(F)F
Show InChI InChI=1S/C31H37F3N4O4S/c1-18(31(32,33)34)35-27(40)21-13-20(14-22(15-21)30(4)10-11-30)25-23(12-19-8-6-5-7-9-19)36-28(43-25)26-37-24(42-38-26)16-29(2,3)41-17-39/h13-15,17-19H,5-12,16H2,1-4H3,(H,35,40)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285800
PNG
(US10080744, Example 11/11)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1Cl)C(F)(F)F
Show InChI InChI=1S/C25H26ClF5N4O5S2/c1-11(25(29,30)31)35-42(38,39)15-8-7-13(17(18(15)26)20(27)28)19-14(9-12-5-4-6-12)32-22(41-19)21-33-16(40-34-21)10-24(2,3)23(36)37/h7-8,11-12,20,35H,4-6,9-10H2,1-3H3,(H,36,37)/t11-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285805
PNG
(US10080744, Example 12/4)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H]2C)-c2noc(CC(C)(C)C(O)=O)n2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C27H31F6N5O5S2/c1-5-17(27(31,32)33)37-45(41,42)16-9-8-14(19(20(16)28)22(29)30)21-15(12-38-10-6-7-13(38)2)34-24(44-21)23-35-18(43-36-23)11-26(3,4)25(39)40/h8-9,13,17,22,37H,5-7,10-12H2,1-4H3,(H,39,40)/t13-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285734
PNG
(US10080744, Example 3/2)
Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl
Show InChI InChI=1S/C27H34Cl2N4O5S2/c1-26(2,3)33-40(36,37)18-12-11-16(20(28)21(18)29)22-17(13-15-9-7-6-8-10-15)30-24(39-22)23-32-31-19(38-23)14-27(4,5)25(34)35/h11-12,15,33H,6-10,13-14H2,1-5H3,(H,34,35)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285735
PNG
(US10080744, Example 3/3)
Show SMILES C[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C28H29F3N4O5S2/c1-15(28(29,30)31)35-42(38,39)21-12-11-19(17-9-4-5-10-18(17)21)23-20(13-16-7-6-8-16)32-25(41-23)24-34-33-22(40-24)14-27(2,3)26(36)37/h4-5,9-12,15-16,35H,6-8,13-14H2,1-3H3,(H,36,37)/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285739
PNG
(US10080744, Example 3/7)
Show SMILES CC(C)(Cc1nnc(o1)-c1nc(CC2CCC2)c(s1)-c1ccc(CN2CCOCC2(C)C)c2ccccc12)C(O)=O
Show InChI InChI=1S/C32H38N4O4S/c1-31(2,30(37)38)17-26-34-35-28(40-26)29-33-25(16-20-8-7-9-20)27(41-29)24-13-12-21(22-10-5-6-11-23(22)24)18-36-14-15-39-19-32(36,3)4/h5-6,10-13,20H,7-9,14-19H2,1-4H3,(H,37,38)
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285746
PNG
(US10080744, Example 3/13)
Show SMILES CC(C)Cc1nc(sc1-c1ccc(c(Cl)c1Cl)S(=O)(=O)N[C@@H](C)C(F)(F)F)-c1nnc(CC(C)(C)OC=O)o1
Show InChI InChI=1S/C23H25Cl2F3N4O5S2/c1-11(2)8-14-19(38-21(29-14)20-31-30-16(37-20)9-22(4,5)36-10-33)13-6-7-15(18(25)17(13)24)39(34,35)32-12(3)23(26,27)28/h6-7,10-12,32H,8-9H2,1-5H3/t12-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285759
PNG
(US10080744, Example 3/26)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)-c2nnc(CC(C)(C)C(O)=O)o2)c(C(F)F)c1F)C(F)(F)F
Show InChI InChI=1S/C28H32F6N4O5S2/c1-4-18(28(32,33)34)38-45(41,42)17-11-10-15(20(21(17)29)23(30)31)22-16(12-14-8-6-5-7-9-14)35-25(44-22)24-37-36-19(43-24)13-27(2,3)26(39)40/h10-11,14,18,23,38H,4-9,12-13H2,1-3H3,(H,39,40)/t18-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285779
PNG
(US10080744, Example 4/2)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CC2CC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C29H29F5N4O5S2/c1-4-21(29(32,33)34)38-45(41,42)20-10-9-18(16-7-5-6-8-17(16)20)23-19(11-15-12-28(30,31)13-15)35-25(44-23)24-37-36-22(43-24)14-27(2,3)26(39)40/h5-10,15,21,38H,4,11-14H2,1-3H3,(H,39,40)/t21-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285781
PNG
(US10080744, Example 6)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(o2)C(C)(C)O)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C24H26Cl2F5N5O4S2/c1-4-15(24(29,30)31)35-42(38,39)14-7-6-12(16(25)17(14)26)18-13(10-36-9-5-8-23(27,28)11-36)32-20(41-18)19-33-34-21(40-19)22(2,3)37/h6-7,15,35,37H,4-5,8-11H2,1-3H3/t15-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285782
PNG
(US10080744, Example 7)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCCC(F)(F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c(Cl)c1Cl)C(F)(F)F
Show InChI InChI=1S/C26H28Cl2F5N5O5S2/c1-4-16(26(31,32)33)37-45(41,42)15-7-6-13(18(27)19(15)28)20-14(11-38-9-5-8-25(29,30)12-38)34-22(44-20)21-36-35-17(43-21)10-24(2,3)23(39)40/h6-7,16,37H,4-5,8-12H2,1-3H3,(H,39,40)/t16-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

More data for this
Ligand-Target Pair
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM285783
PNG
(US10080744, Example 8)
Show SMILES CC[C@H](NS(=O)(=O)c1ccc(-c2sc(nc2CN2CCC[C@@H](F)C2)-c2nnc(CC(C)(C)C(O)=O)o2)c2ccccc12)C(F)(F)F
Show InChI InChI=1S/C30H33F4N5O5S2/c1-4-23(30(32,33)34)38-46(42,43)22-12-11-20(18-9-5-6-10-19(18)22)25-21(16-39-13-7-8-17(31)15-39)35-27(45-25)26-37-36-24(44-26)14-29(2,3)28(40)41/h5-6,9-12,17,23,38H,4,7-8,13-16H2,1-3H3,(H,40,41)/t17-,23+/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
For the RORγt construct used in the ThermoFluor assay, numbering for the nucleotide sequences was based on the reference sequence for human ROR&...


US Patent US10080744 (2018)

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