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Patent code US10150762

Compile Data Set for Download or QSAR
Found 178 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))
BDBM310674
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C25H27F8N3O4S/c1-12-6-4-5-9-36(12)21(38)16-17(41-20(35-16)19(37)34-11-22(2,3)39)14-8-7-13(10-15(14)18(26)27)23(40,24(28,29)30)25(31,32)33/h7-8,10,12,18,39-40H,4-6,9,11H2,1-3H3,(H,34,37)/t12-/m0/s1
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US Patent
n/an/a 2.20n/an/an/an/an/an/a



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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310699
PNG
((S)-5-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CCCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H29F6N3O5S/c1-13-7-5-6-10-34(13)21(36)17-18(40-20(33-17)19(35)32-12-22(2,3)37)15-9-8-14(11-16(15)39-4)23(38,24(26,27)28)25(29,30)31/h8-9,11,13,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310623
PNG
(US10150762, Example 2/8)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
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n/an/a 2.60n/an/an/an/an/an/a



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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310700
PNG
((S)-4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CC(F)(F)C[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H25F8N3O5S/c1-11-8-21(25,26)10-35(11)19(37)15-16(41-18(34-15)17(36)33-9-20(2,3)38)13-6-5-12(7-14(13)40-4)22(39,23(27,28)29)24(30,31)32/h5-7,11,38-39H,8-10H2,1-4H3,(H,33,36)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310695
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C25H29F6N3O4S/c1-13-11-15(23(38,24(26,27)28)25(29,30)31)8-9-16(13)18-17(21(36)34-10-6-5-7-14(34)2)33-20(39-18)19(35)32-12-22(3,4)37/h8-9,11,14,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310620
PNG
(US10150762, Example 2/5)
Show SMILES CCN(CC(F)(F)F)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H20Cl2F9N3O4S/c1-4-36(8-19(25,26)27)17(38)13-14(41-16(35-13)15(37)34-7-18(2,3)39)9-5-6-10(12(24)11(9)23)20(40,21(28,29)30)22(31,32)33/h5-6,39-40H,4,7-8H2,1-3H3,(H,34,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310630
PNG
(US10150762, Example 2/15)
Show SMILES CCN(C1CCC1)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25Cl2F6N3O4S/c1-4-35(11-6-5-7-11)20(37)16-17(40-19(34-16)18(36)33-10-21(2,3)38)12-8-9-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h8-9,11,38-39H,4-7,10H2,1-3H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310693
PNG
((S)-4-(4,4-Difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-7-13(22(39,23(27,28)29)24(30,31)32)5-6-14(11)16-15(19(37)35-10-21(25,26)8-12(35)2)34-18(40-16)17(36)33-9-20(3,4)38/h5-7,12,38-39H,8-10H2,1-4H3,(H,33,36)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310612
PNG
(5-(4-(1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)na...)
Show SMILES CC1CCN(CC1)C(=O)c1nc(sc1-c1ccc(c2ccccc12)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C28H29F6N3O4S/c1-15-10-12-37(13-11-15)24(39)20-21(42-23(36-20)22(38)35-14-25(2,3)40)18-8-9-19(17-7-5-4-6-16(17)18)26(41,27(29,30)31)28(32,33)34/h4-9,15,40-41H,10-14H2,1-3H3,(H,35,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310682
PNG
((S)-5-(2-Chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24ClF6N3O4S/c1-11-5-4-8-33(11)19(35)15-16(38-18(32-15)17(34)31-10-20(2,3)36)13-7-6-12(9-14(13)24)21(37,22(25,26)27)23(28,29)30/h6-7,9,11,36-37H,4-5,8,10H2,1-3H3,(H,31,34)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310622
PNG
(US10150762, Example 2/7)
Show SMILES CC(C)CN(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H25Cl2F6N3O4S/c1-10(2)8-34(5)19(36)15-16(39-18(33-15)17(35)32-9-20(3,4)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,8-9H2,1-5H3,(H,32,35)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310681
PNG
((S)-5-(2-Ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxy...)
Show SMILES CCc1cc(ccc1-c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H29F6N3O4S/c1-5-14-11-15(23(38,24(26,27)28)25(29,30)31)8-9-16(14)18-17(21(36)34-10-6-7-13(34)2)33-20(39-18)19(35)32-12-22(3,4)37/h8-9,11,13,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310636
PNG
(US10150762, Example 3/3b)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@H]1CC11CCOCC1
Show InChI InChI=1S/C25H25Cl2F6N3O4S/c1-3-36(4-2)21(38)17-18(41-20(35-17)19(37)34-14-11-22(14)7-9-40-10-8-22)12-5-6-13(16(27)15(12)26)23(39,24(28,29)30)25(31,32)33/h5-6,14,39H,3-4,7-11H2,1-2H3,(H,34,37)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310679
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H27F6N3O5S/c1-12-6-5-9-33(12)20(35)16-17(39-19(32-16)18(34)31-11-21(2,3)36)14-8-7-13(10-15(14)38-4)22(37,23(25,26)27)24(28,29)30/h7-8,10,12,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310652
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H22F11N3O6S/c1-10-6-21(26,27)9-39(10)19(42)16-17(46-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)45-25(34,35)36)22(44,23(28,29)30)24(31,32)33/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310615
PNG
(US10150762, Example 2/2)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H21Cl2F8N3O4S/c1-9-6-20(26,27)8-36(9)18(38)14-15(41-17(35-14)16(37)34-7-19(2,3)39)10-4-5-11(13(25)12(10)24)21(40,22(28,29)30)23(31,32)33/h4-5,9,39-40H,6-8H2,1-3H3,(H,34,37)/t9-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310672
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3-hexafluoro-2-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-5-4-8-35(11)20(37)15-16(40-19(34-15)18(36)33-10-21(2,3)38)13-7-6-12(9-14(13)17(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,17,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/t11-/m0/s1
PDB

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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310628
PNG
(US10150762, Example 2/13)
Show SMILES CN(C1CCC1)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-20(2,37)9-32-17(35)18-33-15(19(36)34(3)10-5-4-6-10)16(39-18)11-7-8-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h7-8,10,37-38H,4-6,9H2,1-3H3,(H,32,35)
PDB

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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310648
PNG
(US10150762, Example 6/1)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NC2CS(=O)(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F7N3O5S2/c23-13-11(1-2-12(14(13)24)20(37,21(26,27)28)22(29,30)31)16-15(19(36)34-5-3-9(25)4-6-34)33-18(40-16)17(35)32-10-7-41(38,39)8-10/h1-2,9-10,37H,3-8H2,(H,32,35)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310651
PNG
((5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C24H21Cl2F8N3O5S/c1-9-5-21(27,28)8-37(9)19(40)16-17(43-18(35-16)20(41)36-6-10(38)4-11(39)7-36)12-2-3-13(15(26)14(12)25)22(42,23(29,30)31)24(32,33)34/h2-3,9-11,38-39,42H,4-8H2,1H3/t9-,10-,11+/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310675
PNG
(4-(7-Azabicyclo[2.2.11]heptane-7-carbonyl)-5-(2-(d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F8N3O4S/c1-22(2,39)10-34-19(37)20-35-16(21(38)36-12-4-5-13(36)7-6-12)17(41-20)14-8-3-11(9-15(14)18(26)27)23(40,24(28,29)30)25(31,32)33/h3,8-9,12-13,18,39-40H,4-7,10H2,1-2H3,(H,34,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310656
PNG
(N4,N4-Diethyl-5-(4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24F9N3O5S/c1-5-35(6-2)18(37)14-15(41-17(34-14)16(36)33-10-19(3,4)38)12-8-7-11(9-13(12)40-23(30,31)32)20(39,21(24,25)26)22(27,28)29/h7-9,38-39H,5-6,10H2,1-4H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310632
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310686
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23F9N4O4S/c1-10-5-4-6-36(10)18(38)14-15(41-17(35-14)16(37)34-9-19(2,3)39)11-8-33-13(7-12(11)21(24,25)26)20(40,22(27,28)29)23(30,31)32/h7-8,10,39-40H,4-6,9H2,1-3H3,(H,34,37)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310623
PNG
(US10150762, Example 2/8)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310658
PNG
((4-(7-Azabicyclo[2.2.11]heptane-7-carbonyl)-5-(2,3...)
Show SMILES O[C@H]1C[C@@H](O)CN(C1)C(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Cl2F6N3O5S/c26-16-14(5-6-15(17(16)27)23(41,24(28,29)30)25(31,32)33)19-18(21(39)36-10-1-2-11(36)4-3-10)34-20(42-19)22(40)35-8-12(37)7-13(38)9-35/h5-6,10-13,37-38,41H,1-4,7-9H2/t10?,11?,12-,13+
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310680
PNG
((S)-4-(4,4-Difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H23F10N3O4S/c1-10-7-21(27,28)9-37(10)19(39)14-15(42-18(36-14)17(38)35-8-20(2,3)40)12-5-4-11(6-13(12)16(25)26)22(41,23(29,30)31)24(32,33)34/h4-6,10,16,40-41H,7-9H2,1-3H3,(H,35,38)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310614
PNG
(US10150762, Example 2/1)
Show SMILES C[C@H]1C[C@@H](F)CCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24Cl2F7N3O4S/c1-10-8-11(27)6-7-36(10)20(38)16-17(41-19(35-16)18(37)34-9-21(2,3)39)12-4-5-13(15(26)14(12)25)22(40,23(28,29)30)24(31,32)33/h4-5,10-11,39-40H,6-9H2,1-3H3,(H,34,37)/t10-,11-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310637
PNG
(US10150762, Example 3/4)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C23H23Cl2F6N3O5S/c1-3-33(4-2)19(37)16-17(40-18(32-16)20(38)34-8-10(35)7-11(36)9-34)12-5-6-13(15(25)14(12)24)21(39,22(26,27)28)23(29,30)31/h5-6,10-11,35-36,39H,3-4,7-9H2,1-2H3/t10-,11+
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310687
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310690
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H27F6N3O4S/c1-12-10-14(22(37,23(25,26)27)24(28,29)30)7-8-15(12)17-16(20(35)33-9-5-6-13(33)2)32-19(38-17)18(34)31-11-21(3,4)36/h7-8,10,13,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310653
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H22F11N3O5S/c1-10-6-21(26,27)9-39(10)19(42)16-17(45-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)23(28,29)30)22(44,24(31,32)33)25(34,35)36/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310663
PNG
(((3R,5S)-3,5-Dihydroxypiperidin-1-yl)(5-(4-(1,1,1,...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H24F9N3O5S/c1-11-3-2-6-37(11)20(40)17-18(43-19(35-17)21(41)36-9-13(38)8-14(39)10-36)15-5-4-12(7-16(15)23(26,27)28)22(42,24(29,30)31)25(32,33)34/h4-5,7,11,13-14,38-39,42H,2-3,6,8-10H2,1H3/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310696
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(4-(1,...)
Show SMILES Cc1cc(ccc1-c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F6N3O4S/c1-12-10-13(23(38,24(26,27)28)25(29,30)31)4-9-16(12)18-17(21(36)34-14-5-6-15(34)8-7-14)33-20(39-18)19(35)32-11-22(2,3)37/h4,9-10,14-15,37-38H,5-8,11H2,1-3H3,(H,32,35)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310677
PNG
((S)-5-(3-Chloro-2-fluoro-4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23ClF7N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(13(24)14(11)25)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310670
PNG
((S)-(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC2(C1)CS(=N)(=O)C2
Show InChI InChI=1S/C24H20Cl2F8N4O4S2/c1-10-4-21(27,28)7-38(10)18(39)15-16(43-17(36-15)19(40)37-5-20(6-37)8-44(35,42)9-20)11-2-3-12(14(26)13(11)25)22(41,23(29,30)31)24(32,33)34/h2-3,10,35,41H,4-9H2,1H3/t10-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310633
PNG
(US10150762, Example 3/1)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)[N+]#[C-]
Show InChI InChI=1S/C23H22Cl2F6N4O3S/c1-6-35(7-2)19(37)15-16(39-18(34-15)17(36)33-10-20(3,4)32-5)11-8-9-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h8-9,38H,6-7,10H2,1-4H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310692
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O5S/c1-11-5-4-8-36(11)19(38)15-16(42-18(35-15)17(37)34-10-20(2,3)39)13-7-6-12(9-14(13)41-24(31,32)33)21(40,22(25,26)27)23(28,29)30/h6-7,9,11,39-40H,4-5,8,10H2,1-3H3,(H,34,37)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310621
PNG
(US10150762, Example 2/6)
Show SMILES CCCN(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-8-33(4)18(35)14-15(38-17(32-14)16(34)31-9-19(2,3)36)10-6-7-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h6-7,36-37H,5,8-9H2,1-4H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310650
PNG
(5-(3-(tert-Butyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C27H32F7N3O4S/c1-23(2,3)15-10-14(11-16(12-15)25(41,26(29,30)31)27(32,33)34)19-18(22(39)37-8-6-17(28)7-9-37)36-21(42-19)20(38)35-13-24(4,5)40/h10-12,17,40-41H,6-9,13H2,1-5H3,(H,35,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310660
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)C(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F6N3O5S/c1-22(2,40)14(37)9-34-19(38)20-35-17(21(39)36-10-3-4-11(36)6-5-10)18(42-20)12-7-8-13(16(27)15(12)26)23(41,24(28,29)30)25(31,32)33/h7-8,10-11,14,37,40-41H,3-6,9H2,1-2H3,(H,34,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310632
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310655
PNG
(N4,N4-Diethyl-5-(2-ethyl-4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(cc1CC)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H29F6N3O4S/c1-6-13-11-14(22(37,23(25,26)27)24(28,29)30)9-10-15(13)17-16(20(35)33(7-2)8-3)32-19(38-17)18(34)31-12-21(4,5)36/h9-11,36-37H,6-8,12H2,1-5H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310662
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O4S/c1-11-5-4-8-36(11)19(38)15-16(41-18(35-15)17(37)34-10-20(2,3)39)13-7-6-12(9-14(13)22(25,26)27)21(40,23(28,29)30)24(31,32)33/h6-7,9,11,39-40H,4-5,8,10H2,1-3H3,(H,34,37)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310626
PNG
(US10150762, Example 2/11)
Show SMILES CC(C)N(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-9(2)33(5)18(35)14-15(38-17(32-14)16(34)31-8-19(3,4)36)10-6-7-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h6-7,9,36-37H,8H2,1-5H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310634
PNG
(US10150762, Example 3/2)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)C(N)=O
Show InChI InChI=1S/C23H24Cl2F6N4O4S/c1-5-35(6-2)18(37)14-15(40-17(34-14)16(36)33-9-20(3,4)19(32)38)10-7-8-11(13(25)12(10)24)21(39,22(26,27)28)23(29,30)31/h7-8,39H,5-6,9H2,1-4H3,(H2,32,38)(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310646
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C24H25Cl2F6N3O5S/c1-5-34(6-2)18(36)15-16(41-17(33-15)19(37)35-9-21(39,10-35)20(3,4)38)11-7-8-12(14(26)13(11)25)22(40,23(27,28)29)24(30,31)32/h7-8,38-40H,5-6,9-10H2,1-4H3
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310678
PNG
((S)-5-(2-(Difluoromethoxy)-4-(1,1,1,3,3,3-hexafluo...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O5S/c1-11-5-4-8-35(11)19(37)15-16(41-18(34-15)17(36)33-10-21(2,3)38)13-7-6-12(9-14(13)40-20(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,20,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310619
PNG
(US10150762, Example 2/4)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CC3CC2C3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21Cl2F6N3O4S/c1-20(2,37)8-32-17(35)18-33-15(19(36)34-7-9-5-10(34)6-9)16(39-18)11-3-4-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h3-4,9-10,37-38H,5-8H2,1-2H3,(H,32,35)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310625
PNG
(US10150762, Example 2/10)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22Cl2F7N3O4S/c1-20(2,38)9-33-17(36)18-34-15(19(37)35-7-5-10(26)6-8-35)16(40-18)11-3-4-12(14(25)13(11)24)21(39,22(27,28)29)23(30,31)32/h3-4,10,38-39H,5-9H2,1-2H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310641
PNG
(US10150762, Example 3/8)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC1COC1
Show InChI InChI=1S/C21H19Cl2F6N3O4S/c1-3-32(4-2)18(34)14-15(37-17(31-14)16(33)30-9-7-36-8-9)10-5-6-11(13(23)12(10)22)19(35,20(24,25)26)21(27,28)29/h5-6,9,35H,3-4,7-8H2,1-2H3,(H,30,33)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310627
PNG
(US10150762, Example 2/12)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19Cl2F8N3O4S/c1-18(2,38)7-33-15(36)16-34-13(17(37)35-6-5-19(25,26)8-35)14(40-16)9-3-4-10(12(24)11(9)23)20(39,21(27,28)29)22(30,31)32/h3-4,38-39H,5-8H2,1-2H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310672
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3-hexafluoro-2-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-5-4-8-35(11)20(37)15-16(40-19(34-15)18(36)33-10-21(2,3)38)13-7-6-12(9-14(13)17(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,17,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310638
PNG
(US10150762, Example 3/5)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)COC1
Show InChI InChI=1S/C22H21Cl2F6N3O5S/c1-3-33(4-2)18(35)14-15(39-17(32-14)16(34)31-7-19(36)8-38-9-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310664
PNG
((S)-(5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C26H26F9N3O5S/c1-12-5-4-8-38(12)19(39)16-17(44-18(36-16)20(40)37-10-22(42,11-37)21(2,3)41)14-7-6-13(9-15(14)24(27,28)29)23(43,25(30,31)32)26(33,34)35/h6-7,9,12,41-43H,4-5,8,10-11H2,1-3H3/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310642
PNG
(US10150762, Example 3/9)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)CC1
Show InChI InChI=1S/C22H21Cl2F6N3O4S/c1-3-33(4-2)18(35)14-15(38-17(32-14)16(34)31-9-19(36)7-8-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310671
PNG
((S)-(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CN=S1(=O)CC2(CN(C2)C(=O)c2nc(C(=O)N3CC(F)(F)C[C@@H]3C)c(s2)-c2ccc(c(Cl)c2Cl)C(O)(C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C25H22Cl2F8N4O4S2/c1-11-5-22(28,29)8-39(11)19(40)16-17(44-18(37-16)20(41)38-6-21(7-38)9-45(43,10-21)36-2)12-3-4-13(15(27)14(12)26)23(42,24(30,31)32)25(33,34)35/h3-4,11,42H,5-10H2,1-2H3/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310639
PNG
(US10150762, Example 3/6)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC[C@H](C)O
Show InChI InChI=1S/C21H21Cl2F6N3O4S/c1-4-32(5-2)18(35)14-15(37-17(31-14)16(34)30-8-9(3)33)10-6-7-11(13(23)12(10)22)19(36,20(24,25)26)21(27,28)29/h6-7,9,33,36H,4-5,8H2,1-3H3,(H,30,34)/t9-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310647
PNG
((5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20Cl2F7N3O5S2/c25-14-12(1-2-13(15(14)26)22(39,23(28,29)30)24(31,32)33)17-16(19(37)35-5-3-11(27)4-6-35)34-18(42-17)20(38)36-7-21(8-36)9-43(40,41)10-21/h1-2,11,39H,3-10H2
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310661
PNG
((S)-(5-(2-Chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C25H26ClF6N3O5S/c1-12-5-4-8-35(12)19(36)16-17(41-18(33-16)20(37)34-10-22(39,11-34)21(2,3)38)14-7-6-13(9-15(14)26)23(40,24(27,28)29)25(30,31)32/h6-7,9,12,38-40H,4-5,8,10-11H2,1-3H3/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310654
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES CC(C)Oc1cc(ccc1-c1sc(nc1C(=O)N1CC(F)(F)C[C@@H]1C)C(=O)N1C[C@@H](O)C[C@@H](O)C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N3O6S/c1-12(2)44-18-6-14(25(43,26(30,31)32)27(33,34)35)4-5-17(18)20-19(22(41)38-11-24(28,29)8-13(38)3)36-21(45-20)23(42)37-9-15(39)7-16(40)10-37/h4-6,12-13,15-16,39-40,43H,7-11H2,1-3H3/t13-,15-,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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310618
PNG
(US10150762, Example 2/3c)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(C)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H23Cl2F7N4O3S/c1-19(2,39)8-34-16(37)17-35-14(18(38)36-7-6-20(3,26)9-36)15(40-17)10-4-5-11(13(25)12(10)24)21(33,22(27,28)29)23(30,31)32/h4-5,39H,6-9,33H2,1-3H3,(H,34,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310649
PNG
(US10150762, Example 6/2)
Show SMILES CC(C)(O)CCNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24Cl2F7N3O4S/c1-21(2,39)7-8-34-18(37)19-35-16(20(38)36-9-5-11(27)6-10-36)17(41-19)12-3-4-13(15(26)14(12)25)22(40,23(28,29)30)24(31,32)33/h3-4,11,39-40H,5-10H2,1-2H3,(H,34,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310684
PNG
((S)-5-(2-Fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24F7N3O4S/c1-11-5-4-8-33(11)19(35)15-16(38-18(32-15)17(34)31-10-20(2,3)36)13-7-6-12(9-14(13)24)21(37,22(25,26)27)23(28,29)30/h6-7,9,11,36-37H,4-5,8,10H2,1-3H3,(H,31,34)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310685
PNG
((S)-5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hy...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)c1noc(=O)[nH]1
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310667
PNG
(US10150762, Example 12 | trans-3-(5-(2,3-Dichloro-...)
Show SMILES CCN(CC(F)(F)F)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@H]1C[C@@H](C1)C(O)=O
Show InChI InChI=1S/C23H18Cl2F9N3O5S/c1-2-37(7-20(26,27)28)18(39)14-15(43-17(36-14)16(38)35-9-5-8(6-9)19(40)41)10-3-4-11(13(25)12(10)24)21(42,22(29,30)31)23(32,33)34/h3-4,8-9,42H,2,5-7H2,1H3,(H,35,38)(H,40,41)/t8-,9-
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310683
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1cnc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H28F6N4O4S/c1-12-9-15(22(38,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-5-7-13(34)2)33-19(39-17)18(35)32-11-21(3,4)37/h9-10,13,37-38H,5-8,11H2,1-4H3,(H,32,35)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310640
PNG
(US10150762, Example 3/7)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC[C@@H](C)O
Show InChI InChI=1S/C21H21Cl2F6N3O4S/c1-4-32(5-2)18(35)14-15(37-17(31-14)16(34)30-8-9(3)33)10-6-7-11(13(23)12(10)22)19(36,20(24,25)26)21(27,28)29/h6-7,9,33,36H,4-5,8H2,1-3H3,(H,30,34)/t9-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310694
PNG
((S)-5-(2,3-Difluoro-4-(1,1,1,3,3,3,3-hexafluoro-2-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(F)c1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23F8N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310676
PNG
((S)-5-(2-(Difluoromethyl)-3-fluoro-4-(1,1,1,3,3,3-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(F)c1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O4S/c1-10-5-4-8-36(10)20(38)15-16(41-19(35-15)18(37)34-9-21(2,3)39)11-6-7-12(14(25)13(11)17(26)27)22(40,23(28,29)30)24(31,32)33/h6-7,10,17,39-40H,4-5,8-9H2,1-3H3,(H,34,37)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310624
PNG
(US10150762, Example 2/9)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CC(C2)C(F)(F)F)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F9N3O4S/c1-18(2,39)7-34-15(37)16-35-13(17(38)36-5-8(6-36)20(25,26)27)14(41-16)9-3-4-10(12(24)11(9)23)19(40,21(28,29)30)22(31,32)33/h3-4,8,39-40H,5-7H2,1-2H3,(H,34,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310688
PNG
(4-(4-Fluoropiperidine-1-carbonyl)-5-(6-(1,1,1,3,3,...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N4O4S/c1-19(2,40)9-35-16(38)17-36-14(18(39)37-5-3-10(24)4-6-37)15(42-17)11-8-34-13(7-12(11)21(25,26)27)20(41,22(28,29)30)23(31,32)33/h7-8,10,40-41H,3-6,9H2,1-2H3,(H,35,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310657
PNG
(5-(2-Chloro-3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(F)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23ClF7N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310629
PNG
(US10150762, Example 2/14)
Show SMILES CCN(CCOC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H25Cl2F6N3O5S/c1-5-34(8-9-39-4)19(36)15-16(40-18(33-15)17(35)32-10-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,37-38H,5,8-10H2,1-4H3,(H,32,35)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310659
PNG
((4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-...)
Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21Cl2F6N3O5S/c25-15-11(5-6-12(16(15)26)22(40,23(27,28)29)24(30,31)32)18-17(20(38)35-9-1-2-10(35)4-3-9)33-19(41-18)21(39)34-7-13(36)14(37)8-34/h5-6,9-10,13-14,36-37,40H,1-4,7-8H2/t9?,10?,13-,14+
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310643
PNG
(4-(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2C3CCC2CC3)C(=O)N2CCNC(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20Cl2F6N4O4S/c25-15-12(5-6-13(16(15)26)22(40,23(27,28)29)24(30,31)32)18-17(20(38)36-10-1-2-11(36)4-3-10)34-19(41-18)21(39)35-8-7-33-14(37)9-35/h5-6,10-11,40H,1-4,7-9H2,(H,33,37)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310669
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CCS(=N)(=O)CC1
Show InChI InChI=1S/C22H22Cl2F6N4O4S2/c1-3-33(4-2)18(35)15-16(39-17(32-15)19(36)34-7-9-40(31,38)10-8-34)11-5-6-12(14(24)13(11)23)20(37,21(25,26)27)22(28,29)30/h5-6,31,37H,3-4,7-10H2,1-2H3
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310666
PNG
(5-(2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxybutan-...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)[C@](O)(CC)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H28Cl2F3N3O4S/c1-6-22(35,23(26,27)28)13-10-9-12(14(24)15(13)25)17-16(20(33)31(7-2)8-3)30-19(36-17)18(32)29-11-21(4,5)34/h9-10,34-35H,6-8,11H2,1-5H3,(H,29,32)/t22-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310645
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H15Cl2F6N3O3S/c1-3-29(4-2)15(31)11-12(33-14(28-11)13(27)30)7-5-6-8(10(20)9(7)19)16(32,17(21,22)23)18(24,25)26/h5-6,32H,3-4H2,1-2H3,(H2,27,30)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310673
PNG
((R)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-5-4-8-35(11)20(37)15-16(40-19(34-15)18(36)33-10-21(2,3)38)13-7-6-12(9-14(13)17(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,17,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310697
PNG
(4-(4-Cyanopiperidine-1-carbonyl)-5-(2-(difluoromet...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(CC2)[N+]#[C-])c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H24F8N4O4S/c1-22(2,40)11-35-19(38)20-36-16(21(39)37-8-6-13(34-3)7-9-37)17(42-20)14-5-4-12(10-15(14)18(26)27)23(41,24(28,29)30)25(31,32)33/h4-5,10,13,18,40-41H,6-9,11H2,1-2H3,(H,35,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310631
PNG
(US10150762, Example 2/16)
Show SMILES C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310665
PNG
(5-(2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxybutan-...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(CC)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H28Cl2F3N3O4S/c1-6-22(35,23(26,27)28)13-10-9-12(14(24)15(13)25)17-16(20(33)31(7-2)8-3)30-19(36-17)18(32)29-11-21(4,5)34/h9-10,34-35H,6-8,11H2,1-5H3,(H,29,32)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310691
PNG
((R)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H27F6N3O4S/c1-12-10-14(22(37,23(25,26)27)24(28,29)30)7-8-15(12)17-16(20(35)33-9-5-6-13(33)2)32-19(38-17)18(34)31-11-21(3,4)36/h7-8,10,13,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/t13-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310689
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1cnc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H26F6N4O4S/c1-11-8-14(21(37,22(24,25)26)23(27,28)29)30-9-13(11)16-15(19(35)33-7-5-6-12(33)2)32-18(38-16)17(34)31-10-20(3,4)36/h8-9,12,36-37H,5-7,10H2,1-4H3,(H,31,34)/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310698
PNG
((R)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H25F8N3O5S/c1-21(2,39)10-33-18(37)19-34-15(20(38)35-7-3-4-12(35)9-36)16(41-19)13-6-5-11(8-14(13)17(25)26)22(40,23(27,28)29)24(30,31)32/h5-6,8,12,17,36,39-40H,3-4,7,9-10H2,1-2H3,(H,33,37)/t12-/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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310668
PNG
(4-(4-Fluoropiperidine-1-carbonyl)-5-(8-(1,1,1,3,3,...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c2ncccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F7N4O4S/c1-23(2,40)12-35-20(38)21-36-18(22(39)37-10-7-13(27)8-11-37)19(42-21)15-5-6-16(17-14(15)4-3-9-34-17)24(41,25(28,29)30)26(31,32)33/h3-6,9,13,40-41H,7-8,10-12H2,1-2H3,(H,35,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310644
PNG
(4-(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2C3CCC2CC3)C(=O)N2CC(=O)NC(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F6N4O5S/c25-15-11(5-6-12(16(15)26)22(41,23(27,28)29)24(30,31)32)18-17(20(39)36-9-1-2-10(36)4-3-9)34-19(42-18)21(40)35-7-13(37)33-14(38)8-35/h5-6,9-10,41H,1-4,7-8H2,(H,33,37,38)
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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 US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310636
PNG
(US10150762, Example 3/3b)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N[C@H]1CC11CCOCC1
Show InChI InChI=1S/C25H25Cl2F6N3O4S/c1-3-36(4-2)21(38)17-18(41-20(35-17)19(37)34-14-11-22(14)7-9-40-10-8-22)12-5-6-13(16(27)15(12)26)23(39,24(28,29)30)25(31,32)33/h5-6,14,39H,3-4,7-11H2,1-2H3,(H,34,37)/t14-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310641
PNG
(US10150762, Example 3/8)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC1COC1
Show InChI InChI=1S/C21H19Cl2F6N3O4S/c1-3-32(4-2)18(34)14-15(37-17(31-14)16(33)30-9-7-36-8-9)10-5-6-11(13(23)12(10)22)19(35,20(24,25)26)21(27,28)29/h5-6,9,35H,3-4,7-8H2,1-2H3,(H,30,33)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310648
PNG
(US10150762, Example 6/1)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)NC2CS(=O)(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F7N3O5S2/c23-13-11(1-2-12(14(13)24)20(37,21(26,27)28)22(29,30)31)16-15(19(36)34-5-3-9(25)4-6-34)33-18(40-16)17(35)32-10-7-41(38,39)8-10/h1-2,9-10,37H,3-8H2,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310658
PNG
((4-(7-Azabicyclo[2.2.11]heptane-7-carbonyl)-5-(2,3...)
Show SMILES O[C@H]1C[C@@H](O)CN(C1)C(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H23Cl2F6N3O5S/c26-16-14(5-6-15(17(16)27)23(41,24(28,29)30)25(31,32)33)19-18(21(39)36-10-1-2-11(36)4-3-10)34-20(42-19)22(40)35-8-12(37)7-13(38)9-35/h5-6,10-13,37-38,41H,1-4,7-9H2/t10?,11?,12-,13+
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310662
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O4S/c1-11-5-4-8-36(11)19(38)15-16(41-18(35-15)17(37)34-10-20(2,3)39)13-7-6-12(9-14(13)22(25,26)27)21(40,23(28,29)30)24(31,32)33/h6-7,9,11,39-40H,4-5,8,10H2,1-3H3,(H,34,37)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310690
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H27F6N3O4S/c1-12-10-14(22(37,23(25,26)27)24(28,29)30)7-8-15(12)17-16(20(35)33-9-5-6-13(33)2)32-19(38-17)18(34)31-11-21(3,4)36/h7-8,10,13,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/t13-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310697
PNG
(4-(4-Cyanopiperidine-1-carbonyl)-5-(2-(difluoromet...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(CC2)[N+]#[C-])c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H24F8N4O4S/c1-22(2,40)11-35-19(38)20-36-16(21(39)37-8-6-13(34-3)7-9-37)17(42-20)14-5-4-12(10-15(14)18(26)27)23(41,24(28,29)30)25(31,32)33/h4-5,10,13,18,40-41H,6-9,11H2,1-2H3,(H,35,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310699
PNG
((S)-5-(4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CCCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H29F6N3O5S/c1-13-7-5-6-10-34(13)21(36)17-18(40-20(33-17)19(35)32-12-22(2,3)37)15-9-8-14(11-16(15)39-4)23(38,24(26,27)28)25(29,30)31/h8-9,11,13,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/t13-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310637
PNG
(US10150762, Example 3/4)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C23H23Cl2F6N3O5S/c1-3-33(4-2)19(37)16-17(40-18(32-16)20(38)34-8-10(35)7-11(36)9-34)12-5-6-13(15(25)14(12)24)21(39,22(26,27)28)23(29,30)31/h5-6,10-11,35-36,39H,3-4,7-9H2,1-2H3/t10-,11+
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310639
PNG
(US10150762, Example 3/6)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC[C@H](C)O
Show InChI InChI=1S/C21H21Cl2F6N3O4S/c1-4-32(5-2)18(35)14-15(37-17(31-14)16(34)30-8-9(3)33)10-6-7-11(13(23)12(10)22)19(36,20(24,25)26)21(27,28)29/h6-7,9,33,36H,4-5,8H2,1-3H3,(H,30,34)/t9-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310674
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C25H27F8N3O4S/c1-12-6-4-5-9-36(12)21(38)16-17(41-20(35-16)19(37)34-11-22(2,3)39)14-8-7-13(10-15(14)18(26)27)23(40,24(28,29)30)25(31,32)33/h7-8,10,12,18,39-40H,4-6,9,11H2,1-3H3,(H,34,37)/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310685
PNG
((S)-5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hy...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)c1noc(=O)[nH]1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310688
PNG
(4-(4-Fluoropiperidine-1-carbonyl)-5-(6-(1,1,1,3,3,...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22F10N4O4S/c1-19(2,40)9-35-16(38)17-36-14(18(39)37-5-3-10(24)4-6-37)15(42-17)11-8-34-13(7-12(11)21(25,26)27)20(41,22(28,29)30)23(31,32)33/h7-8,10,40-41H,3-6,9H2,1-2H3,(H,35,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310694
PNG
((S)-5-(2,3-Difluoro-4-(1,1,1,3,3,3,3-hexafluoro-2-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(F)c1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23F8N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310700
PNG
((S)-4-(4,4-difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CC(F)(F)C[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H25F8N3O5S/c1-11-8-21(25,26)10-35(11)19(37)15-16(41-18(34-15)17(36)33-9-20(2,3)38)13-6-5-12(7-14(13)40-4)22(39,23(27,28)29)24(30,31)32/h5-7,11,38-39H,8-10H2,1-4H3,(H,33,36)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310618
PNG
(US10150762, Example 2/3c)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(C)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H23Cl2F7N4O3S/c1-19(2,39)8-34-16(37)17-35-14(18(38)36-7-6-20(3,26)9-36)15(40-17)10-4-5-11(13(25)12(10)24)21(33,22(27,28)29)23(30,31)32/h4-5,39H,6-9,33H2,1-3H3,(H,34,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310623
PNG
(US10150762, Example 2/8)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310626
PNG
(US10150762, Example 2/11)
Show SMILES CC(C)N(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-9(2)33(5)18(35)14-15(38-17(32-14)16(34)31-8-19(3,4)36)10-6-7-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h6-7,9,36-37H,8H2,1-5H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310661
PNG
((S)-(5-(2-Chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C25H26ClF6N3O5S/c1-12-5-4-8-35(12)19(36)16-17(41-18(33-16)20(37)34-10-22(39,11-34)21(2,3)38)14-7-6-13(9-15(14)26)23(40,24(27,28)29)25(30,31)32/h6-7,9,12,38-40H,4-5,8,10-11H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310666
PNG
(5-(2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxybutan-...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)[C@](O)(CC)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H28Cl2F3N3O4S/c1-6-22(35,23(26,27)28)13-10-9-12(14(24)15(13)25)17-16(20(33)31(7-2)8-3)30-19(36-17)18(32)29-11-21(4,5)34/h9-10,34-35H,6-8,11H2,1-5H3,(H,29,32)/t22-/m1/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310672
PNG
((S)-5-(2-(Difluoromethyl)-4-(1,1,1,3-hexafluoro-2-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-5-4-8-35(11)20(37)15-16(40-19(34-15)18(36)33-10-21(2,3)38)13-7-6-12(9-14(13)17(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,17,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310683
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1cnc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H28F6N4O4S/c1-12-9-15(22(38,23(25,26)27)24(28,29)30)31-10-14(12)17-16(20(36)34-8-6-5-7-13(34)2)33-19(39-17)18(35)32-11-21(3,4)37/h9-10,13,37-38H,5-8,11H2,1-4H3,(H,32,35)/t13-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310695
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C25H29F6N3O4S/c1-13-11-15(23(38,24(26,27)28)25(29,30)31)8-9-16(13)18-17(21(36)34-10-6-5-7-14(34)2)33-20(39-18)19(35)32-12-22(3,4)37/h8-9,11,14,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/t14-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310620
PNG
(US10150762, Example 2/5)
Show SMILES CCN(CC(F)(F)F)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H20Cl2F9N3O4S/c1-4-36(8-19(25,26)27)17(38)13-14(41-16(35-13)15(37)34-7-18(2,3)39)9-5-6-10(12(24)11(9)23)20(40,21(28,29)30)22(31,32)33/h5-6,39-40H,4,7-8H2,1-3H3,(H,34,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310634
PNG
(US10150762, Example 3/2)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)C(N)=O
Show InChI InChI=1S/C23H24Cl2F6N4O4S/c1-5-35(6-2)18(37)14-15(40-17(34-14)16(36)33-9-20(3,4)19(32)38)10-7-8-11(13(25)12(10)24)21(39,22(26,27)28)23(29,30)31/h7-8,39H,5-6,9H2,1-4H3,(H2,32,38)(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310647
PNG
((5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2CCC(F)CC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20Cl2F7N3O5S2/c25-14-12(1-2-13(15(14)26)22(39,23(28,29)30)24(31,32)33)17-16(19(37)35-5-3-11(27)4-6-35)34-18(42-17)20(38)36-7-21(8-36)9-43(40,41)10-21/h1-2,11,39H,3-10H2
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310652
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H22F11N3O6S/c1-10-6-21(26,27)9-39(10)19(42)16-17(46-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)45-25(34,35)36)22(44,23(28,29)30)24(31,32)33/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310669
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CCS(=N)(=O)CC1
Show InChI InChI=1S/C22H22Cl2F6N4O4S2/c1-3-33(4-2)18(35)15-16(39-17(32-15)19(36)34-7-9-40(31,38)10-8-34)11-5-6-12(14(24)13(11)23)20(37,21(25,26)27)22(28,29)30/h5-6,31,37H,3-4,7-10H2,1-2H3
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310671
PNG
((S)-(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CN=S1(=O)CC2(CN(C2)C(=O)c2nc(C(=O)N3CC(F)(F)C[C@@H]3C)c(s2)-c2ccc(c(Cl)c2Cl)C(O)(C(F)(F)F)C(F)(F)F)C1
Show InChI InChI=1S/C25H22Cl2F8N4O4S2/c1-11-5-22(28,29)8-39(11)19(40)16-17(44-18(37-16)20(41)38-6-21(7-38)9-45(43,10-21)36-2)12-3-4-13(15(27)14(12)26)23(42,24(30,31)32)25(33,34)35/h3-4,11,42H,5-10H2,1-2H3/t11-/m0/s1
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310673
PNG
((R)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-5-4-8-35(11)20(37)15-16(40-19(34-15)18(36)33-10-21(2,3)38)13-7-6-12(9-14(13)17(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,17,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/t11-/m1/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310676
PNG
((S)-5-(2-(Difluoromethyl)-3-fluoro-4-(1,1,1,3,3,3-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(F)c1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O4S/c1-10-5-4-8-36(10)20(38)15-16(41-19(35-15)18(37)34-9-21(2,3)39)11-6-7-12(14(25)13(11)17(26)27)22(40,23(28,29)30)24(31,32)33/h6-7,10,17,39-40H,4-5,8-9H2,1-3H3,(H,34,37)/t10-/m0/s1
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310687
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCCN1C(=O)c1nc(sc1-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F9N4O4S/c1-11-6-4-5-7-37(11)19(39)15-16(42-18(36-15)17(38)35-10-20(2,3)40)12-9-34-14(8-13(12)22(25,26)27)21(41,23(28,29)30)24(31,32)33/h8-9,11,40-41H,4-7,10H2,1-3H3,(H,35,38)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310693
PNG
((S)-4-(4,4-Difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O4S/c1-11-7-13(22(39,23(27,28)29)24(30,31)32)5-6-14(11)16-15(19(37)35-10-21(25,26)8-12(35)2)34-18(40-16)17(36)33-9-20(3,4)38/h5-7,12,38-39H,8-10H2,1-4H3,(H,33,36)/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310627
PNG
(US10150762, Example 2/12)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)(F)C2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H19Cl2F8N3O4S/c1-18(2,38)7-33-15(36)16-34-13(17(37)35-6-5-19(25,26)8-35)14(40-16)9-3-4-10(12(24)11(9)23)20(39,21(27,28)29)22(30,31)32/h3-4,38-39H,5-8H2,1-2H3,(H,33,36)
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310632
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310638
PNG
(US10150762, Example 3/5)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)COC1
Show InChI InChI=1S/C22H21Cl2F6N3O5S/c1-3-33(4-2)18(35)14-15(39-17(32-14)16(34)31-7-19(36)8-38-9-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310646
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C24H25Cl2F6N3O5S/c1-5-34(6-2)18(36)15-16(41-17(33-15)19(37)35-9-21(39,10-35)20(3,4)38)11-7-8-12(14(26)13(11)25)22(40,23(27,28)29)24(30,31)32/h7-8,38-40H,5-6,9-10H2,1-4H3
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310651
PNG
((5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C24H21Cl2F8N3O5S/c1-9-5-21(27,28)8-37(9)19(40)16-17(43-18(35-16)20(41)36-6-10(38)4-11(39)7-36)12-2-3-13(15(26)14(12)25)22(42,23(29,30)31)24(32,33)34/h2-3,9-11,38-39,42H,4-8H2,1H3/t9-,10-,11+/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310656
PNG
(N4,N4-Diethyl-5-(4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24F9N3O5S/c1-5-35(6-2)18(37)14-15(41-17(34-14)16(36)33-10-19(3,4)38)12-8-7-11(9-13(12)40-23(30,31)32)20(39,21(24,25)26)22(27,28)29/h7-9,38-39H,5-6,10H2,1-4H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310665
PNG
(5-(2,3-Dichloro-4-(1,1,1-trifluoro-2-hydroxybutan-...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(CC)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H28Cl2F3N3O4S/c1-6-22(35,23(26,27)28)13-10-9-12(14(24)15(13)25)17-16(20(33)31(7-2)8-3)30-19(36-17)18(32)29-11-21(4,5)34/h9-10,34-35H,6-8,11H2,1-5H3,(H,29,32)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310668
PNG
(4-(4-Fluoropiperidine-1-carbonyl)-5-(8-(1,1,1,3,3,...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c2ncccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C26H25F7N4O4S/c1-23(2,40)12-35-20(38)21-36-18(22(39)37-10-7-13(27)8-11-37)19(42-21)15-5-6-16(17-14(15)4-3-9-34-17)24(41,25(28,29)30)26(31,32)33/h3-6,9,13,40-41H,7-8,10-12H2,1-2H3,(H,35,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310677
PNG
((S)-5-(3-Chloro-2-fluoro-4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23ClF7N3O4S/c1-10-5-4-8-34(10)19(36)15-16(39-18(33-15)17(35)32-9-20(2,3)37)11-6-7-12(13(24)14(11)25)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,4-5,8-9H2,1-3H3,(H,32,35)/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310678
PNG
((S)-5-(2-(Difluoromethoxy)-4-(1,1,1,3,3,3-hexafluo...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25F8N3O5S/c1-11-5-4-8-35(11)19(37)15-16(41-18(34-15)17(36)33-10-21(2,3)38)13-7-6-12(9-14(13)40-20(25)26)22(39,23(27,28)29)24(30,31)32/h6-7,9,11,20,38-39H,4-5,8,10H2,1-3H3,(H,33,36)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310679
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES COc1cc(ccc1-c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H27F6N3O5S/c1-12-6-5-9-33(12)20(35)16-17(39-19(32-16)18(34)31-11-21(2,3)36)14-8-7-13(10-15(14)38-4)22(37,23(25,26)27)24(28,29)30/h7-8,10,12,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310691
PNG
((R)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H27F6N3O4S/c1-12-10-14(22(37,23(25,26)27)24(28,29)30)7-8-15(12)17-16(20(35)33-9-5-6-13(33)2)32-19(38-17)18(34)31-11-21(3,4)36/h7-8,10,13,36-37H,5-6,9,11H2,1-4H3,(H,31,34)/t13-/m1/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310696
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(4-(1,...)
Show SMILES Cc1cc(ccc1-c1sc(nc1C(=O)N1C2CCC1CC2)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F6N3O4S/c1-12-10-13(23(38,24(26,27)28)25(29,30)31)4-9-16(12)18-17(21(36)34-14-5-6-15(34)8-7-14)33-20(39-18)19(35)32-11-22(2,3)37/h4,9-10,14-15,37-38H,5-8,11H2,1-3H3,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310698
PNG
((R)-5-(2-(Difluoromethyl)-4-(1,1,1,3,3,3-hexafluor...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC[C@@H]2CO)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H25F8N3O5S/c1-21(2,39)10-33-18(37)19-34-15(20(38)35-7-3-4-12(35)9-36)16(41-19)13-6-5-11(8-14(13)17(25)26)22(40,23(27,28)29)24(30,31)32/h5-6,8,12,17,36,39-40H,3-4,7,9-10H2,1-2H3,(H,33,37)/t12-/m1/s1
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310624
PNG
(US10150762, Example 2/9)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CC(C2)C(F)(F)F)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H18Cl2F9N3O4S/c1-18(2,39)7-34-15(37)16-35-13(17(38)36-5-8(6-36)20(25,26)27)14(41-16)9-3-4-10(12(24)11(9)23)19(40,21(28,29)30)22(31,32)33/h3-4,8,39-40H,5-7H2,1-2H3,(H,34,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310625
PNG
(US10150762, Example 2/10)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H22Cl2F7N3O4S/c1-20(2,38)9-33-17(36)18-34-15(19(37)35-7-5-10(26)6-8-35)16(40-18)11-3-4-12(14(25)13(11)24)21(39,22(27,28)29)23(30,31)32/h3-4,10,38-39H,5-9H2,1-2H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310628
PNG
(US10150762, Example 2/13)
Show SMILES CN(C1CCC1)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23Cl2F6N3O4S/c1-20(2,37)9-32-17(35)18-33-15(19(36)34(3)10-5-4-6-10)16(39-18)11-7-8-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h7-8,10,37-38H,4-6,9H2,1-3H3,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310633
PNG
(US10150762, Example 3/1)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)[N+]#[C-]
Show InChI InChI=1S/C23H22Cl2F6N4O3S/c1-6-35(7-2)19(37)15-16(39-18(34-15)17(36)33-10-20(3,4)32-5)11-8-9-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h8-9,38H,6-7,10H2,1-4H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310653
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H22F11N3O5S/c1-10-6-21(26,27)9-39(10)19(42)16-17(45-18(37-16)20(43)38-7-12(40)5-13(41)8-38)14-3-2-11(4-15(14)23(28,29)30)22(44,24(31,32)33)25(34,35)36/h2-4,10,12-13,40-41,44H,5-9H2,1H3/t10-,12-,13+/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310663
PNG
(((3R,5S)-3,5-Dihydroxypiperidin-1-yl)(5-(4-(1,1,1,...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1C[C@@H](O)C[C@@H](O)C1
Show InChI InChI=1S/C25H24F9N3O5S/c1-11-3-2-6-37(11)20(40)17-18(43-19(35-17)21(41)36-9-13(38)8-14(39)10-36)15-5-4-12(7-16(15)23(26,27)28)22(42,24(29,30)31)25(32,33)34/h4-5,7,11,13-14,38-39,42H,2-3,6,8-10H2,1H3/t11-,13-,14+/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310682
PNG
((S)-5-(2-Chloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24ClF6N3O4S/c1-11-5-4-8-33(11)19(35)15-16(38-18(32-15)17(34)31-10-20(2,3)36)13-7-6-12(9-14(13)24)21(37,22(25,26)27)23(28,29)30/h6-7,9,11,36-37H,4-5,8,10H2,1-3H3,(H,31,34)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310686
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1cnc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H23F9N4O4S/c1-10-5-4-6-36(10)18(38)14-15(41-17(35-14)16(37)34-9-19(2,3)39)11-8-33-13(7-12(11)21(24,25)26)20(40,22(27,28)29)23(30,31)32/h7-8,10,39-40H,4-6,9H2,1-3H3,(H,34,37)/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310614
PNG
(US10150762, Example 2/1)
Show SMILES C[C@H]1C[C@@H](F)CCN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24Cl2F7N3O4S/c1-10-8-11(27)6-7-36(10)20(38)16-17(41-19(35-16)18(37)34-9-21(2,3)39)12-4-5-13(15(26)14(12)25)22(40,23(28,29)30)24(31,32)33/h4-5,10-11,39-40H,6-9H2,1-3H3,(H,34,37)/t10-,11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310613
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H23Cl2F6N3O4S/c1-21(2,38)9-33-18(36)19-34-16(20(37)35-10-3-4-11(35)6-5-10)17(40-19)12-7-8-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h7-8,10-11,38-39H,3-6,9H2,1-2H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310642
PNG
(US10150762, Example 3/9)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC1(O)CC1
Show InChI InChI=1S/C22H21Cl2F6N3O4S/c1-3-33(4-2)18(35)14-15(38-17(32-14)16(34)31-9-19(36)7-8-19)10-5-6-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h5-6,36-37H,3-4,7-9H2,1-2H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310643
PNG
(4-(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2C3CCC2CC3)C(=O)N2CCNC(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H20Cl2F6N4O4S/c25-15-12(5-6-13(16(15)26)22(40,23(27,28)29)24(30,31)32)18-17(20(38)36-10-1-2-11(36)4-3-10)34-19(41-18)21(39)35-8-7-33-14(37)9-35/h5-6,10-11,40H,1-4,7-9H2,(H,33,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310644
PNG
(4-(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,...)
Show SMILES OC(c1ccc(-c2sc(nc2C(=O)N2C3CCC2CC3)C(=O)N2CC(=O)NC(=O)C2)c(Cl)c1Cl)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H18Cl2F6N4O5S/c25-15-11(5-6-12(16(15)26)22(41,23(27,28)29)24(30,31)32)18-17(20(39)36-9-1-2-10(36)4-3-9)34-19(42-18)21(40)35-7-13(37)33-14(38)8-35/h5-6,9-10,41H,1-4,7-8H2,(H,33,37,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310649
PNG
(US10150762, Example 6/2)
Show SMILES CC(C)(O)CCNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H24Cl2F7N3O4S/c1-21(2,39)7-8-34-18(37)19-35-16(20(38)36-9-5-11(27)6-10-36)17(41-19)12-3-4-13(15(26)14(12)25)22(40,23(28,29)30)24(31,32)33/h3-4,11,39-40H,5-10H2,1-2H3,(H,34,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310654
PNG
(((S)-4,4-Difluoro-2-methylpyrrolidin-1-yl)(2-((3R,...)
Show SMILES CC(C)Oc1cc(ccc1-c1sc(nc1C(=O)N1CC(F)(F)C[C@@H]1C)C(=O)N1C[C@@H](O)C[C@@H](O)C1)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C27H29F8N3O6S/c1-12(2)44-18-6-14(25(43,26(30,31)32)27(33,34)35)4-5-17(18)20-19(22(41)38-11-24(28,29)8-13(38)3)36-21(45-20)23(42)37-9-15(39)7-16(40)10-37/h4-6,12-13,15-16,39-40,43H,7-11H2,1-3H3/t13-,15-,16+/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310655
PNG
(N4,N4-Diethyl-5-(2-ethyl-4-(1,1,1,3,3,3-hexafluoro...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(cc1CC)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H29F6N3O4S/c1-6-13-11-14(22(37,23(25,26)27)24(28,29)30)9-10-15(13)17-16(20(35)33(7-2)8-3)32-19(38-17)18(34)31-12-21(4,5)36/h9-11,36-37H,6-8,12H2,1-5H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310657
PNG
(5-(2-Chloro-3-fluoro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(F)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23ClF7N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310675
PNG
(4-(7-Azabicyclo[2.2.11]heptane-7-carbonyl)-5-(2-(d...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25F8N3O4S/c1-22(2,39)10-34-19(37)20-35-16(21(38)36-12-4-5-13(36)7-6-12)17(41-20)14-8-3-11(9-15(14)18(26)27)23(40,24(28,29)30)25(31,32)33/h3,8-9,12-13,18,39-40H,4-7,10H2,1-2H3,(H,34,37)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310684
PNG
((S)-5-(2-Fluoro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H24F7N3O4S/c1-11-5-4-8-33(11)19(35)15-16(38-18(32-15)17(34)31-10-20(2,3)36)13-7-6-12(9-14(13)24)21(37,22(25,26)27)23(28,29)30/h6-7,9,11,36-37H,4-5,8,10H2,1-3H3,(H,31,34)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310689
PNG
((S)-5-(6-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1cnc(cc1C)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H26F6N4O4S/c1-11-8-14(21(37,22(24,25)26)23(27,28)29)30-9-13(11)16-15(19(35)33-7-5-6-12(33)2)32-18(38-16)17(34)31-10-20(3,4)36/h8-9,12,36-37H,5-7,10H2,1-4H3,(H,31,34)/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310612
PNG
(5-(4-(1,1,3,3,3-Hexafluoro-2-hydroxypropan-2-yl)na...)
Show SMILES CC1CCN(CC1)C(=O)c1nc(sc1-c1ccc(c2ccccc12)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C28H29F6N3O4S/c1-15-10-12-37(13-11-15)24(39)20-21(42-23(36-20)22(38)35-14-25(2,3)40)18-8-9-19(17-7-5-4-6-16(17)18)26(41,27(29,30)31)28(32,33)34/h4-9,15,40-41H,10-14H2,1-3H3,(H,35,38)
PDB

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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310615
PNG
(US10150762, Example 2/2)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H21Cl2F8N3O4S/c1-9-6-20(26,27)8-36(9)18(38)14-15(41-17(35-14)16(37)34-7-19(2,3)39)10-4-5-11(13(25)12(10)24)21(40,22(28,29)30)23(31,32)33/h4-5,9,39-40H,6-8H2,1-3H3,(H,34,37)/t9-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310619
PNG
(US10150762, Example 2/4)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CC3CC2C3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21Cl2F6N3O4S/c1-20(2,37)8-32-17(35)18-33-15(19(36)34-7-9-5-10(34)6-9)16(39-18)11-3-4-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h3-4,9-10,37-38H,5-8H2,1-2H3,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310621
PNG
(US10150762, Example 2/6)
Show SMILES CCCN(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-8-33(4)18(35)14-15(38-17(32-14)16(34)31-9-19(2,3)36)10-6-7-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h6-7,36-37H,5,8-9H2,1-4H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310622
PNG
(US10150762, Example 2/7)
Show SMILES CC(C)CN(C)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H25Cl2F6N3O4S/c1-10(2)8-34(5)19(36)15-16(39-18(33-15)17(35)32-9-20(3,4)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,10,37-38H,8-9H2,1-5H3,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310632
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H23Cl2F6N3O4S/c1-5-33(6-2)18(35)14-15(38-17(32-14)16(34)31-9-19(3,4)36)10-7-8-11(13(24)12(10)23)20(37,21(25,26)27)22(28,29)30/h7-8,36-37H,5-6,9H2,1-4H3,(H,31,34)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310640
PNG
(US10150762, Example 3/7)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NC[C@@H](C)O
Show InChI InChI=1S/C21H21Cl2F6N3O4S/c1-4-32(5-2)18(35)14-15(37-17(31-14)16(34)30-8-9(3)33)10-6-7-11(13(23)12(10)22)19(36,20(24,25)26)21(27,28)29/h6-7,9,33,36H,4-5,8H2,1-3H3,(H,30,34)/t9-/m1/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310645
PNG
(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-hydrox...)
Show SMILES CCN(CC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(N)=O
Show InChI InChI=1S/C18H15Cl2F6N3O3S/c1-3-29(4-2)15(31)11-12(33-14(28-11)13(27)30)7-5-6-8(10(20)9(7)19)16(32,17(21,22)23)18(24,25)26/h5-6,32H,3-4H2,1-2H3,(H2,27,30)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310650
PNG
(5-(3-(tert-Butyl)-5-(1,1,1,3,3,3-hexafluoro-2-hydr...)
Show SMILES CC(C)(O)CNC(=O)c1nc(C(=O)N2CCC(F)CC2)c(s1)-c1cc(cc(c1)C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C
Show InChI InChI=1S/C27H32F7N3O4S/c1-23(2,3)15-10-14(11-16(12-15)25(41,26(29,30)31)27(32,33)34)19-18(22(39)37-8-6-17(28)7-9-37)36-21(42-19)20(38)35-13-24(4,5)40/h10-12,17,40-41H,6-9,13H2,1-5H3,(H,35,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310659
PNG
((4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-...)
Show SMILES O[C@H]1CN(C[C@H]1O)C(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C24H21Cl2F6N3O5S/c25-15-11(5-6-12(16(15)26)22(40,23(27,28)29)24(30,31)32)18-17(20(38)35-9-1-2-10(35)4-3-9)33-19(41-18)21(39)34-7-13(36)14(37)8-34/h5-6,9-10,13-14,36-37,40H,1-4,7-8H2/t9?,10?,13-,14+
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310660
PNG
(4-(7-Azabicyclo[2.2.1]heptane-7-carbonyl)-5-(2,3-d...)
Show SMILES CC(C)(O)C(O)CNC(=O)c1nc(C(=O)N2C3CCC2CC3)c(s1)-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H25Cl2F6N3O5S/c1-22(2,40)14(37)9-34-19(38)20-35-17(21(39)36-10-3-4-11(36)6-5-10)18(42-20)12-7-8-13(16(27)15(12)26)23(41,24(28,29)30)25(31,32)33/h7-8,10-11,14,37,40-41H,3-6,9H2,1-2H3,(H,34,38)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310664
PNG
((S)-(5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC(O)(C1)C(C)(C)O
Show InChI InChI=1S/C26H26F9N3O5S/c1-12-5-4-8-38(12)19(39)16-17(44-18(36-16)20(40)37-10-22(42,11-37)21(2,3)41)14-7-6-13(9-15(14)24(27,28)29)23(43,25(30,31)32)26(33,34)35/h6-7,9,12,41-43H,4-5,8,10-11H2,1-3H3/t12-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310670
PNG
((S)-(5-(2,3-Dichloro-4-(1,1,1,3,3,3-hexafluoro-2-h...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)N1CC2(C1)CS(=N)(=O)C2
Show InChI InChI=1S/C24H20Cl2F8N4O4S2/c1-10-4-21(27,28)7-38(10)18(39)15-16(43-17(36-15)19(40)37-5-20(6-37)8-44(35,42)9-20)11-2-3-12(14(26)13(11)25)22(41,23(29,30)31)24(32,33)34/h2-3,10,35,41H,4-9H2,1H3/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310680
PNG
((S)-4-(4,4-Difluoro-2-methylpyrrolidine-1-carbonyl...)
Show SMILES C[C@H]1CC(F)(F)CN1C(=O)c1nc(sc1-c1ccc(cc1C(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H23F10N3O4S/c1-10-7-21(27,28)9-37(10)19(39)14-15(42-18(36-14)17(38)35-8-20(2,3)40)12-5-4-11(6-13(12)16(25)26)22(41,23(29,30)31)24(32,33)34/h4-6,10,16,40-41H,7-9H2,1-3H3,(H,35,38)/t10-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310681
PNG
((S)-5-(2-Ethyl-4-(1,1,1,3,3,3-hexafluoro-2-hydroxy...)
Show SMILES CCc1cc(ccc1-c1sc(nc1C(=O)N1CCC[C@@H]1C)C(=O)NCC(C)(C)O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H29F6N3O4S/c1-5-14-11-15(23(38,24(26,27)28)25(29,30)31)8-9-16(14)18-17(21(36)34-10-6-7-13(34)2)33-20(39-18)19(35)32-12-22(3,4)37/h8-9,11,13,37-38H,5-7,10,12H2,1-4H3,(H,32,35)/t13-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310692
PNG
((S)-5-(4-(1,1,1,3,3,3-Hexafluoro-2-hydroxypropan-2...)
Show SMILES C[C@H]1CCCN1C(=O)c1nc(sc1-c1ccc(cc1OC(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H24F9N3O5S/c1-11-5-4-8-36(11)19(38)15-16(42-18(35-15)17(37)34-10-20(2,3)39)13-7-6-12(9-14(13)41-24(31,32)33)21(40,22(25,26)27)23(28,29)30/h6-7,9,11,39-40H,4-5,8,10H2,1-3H3,(H,34,37)/t11-/m0/s1
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310629
PNG
(US10150762, Example 2/14)
Show SMILES CCN(CCOC)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H25Cl2F6N3O5S/c1-5-34(8-9-39-4)19(36)15-16(40-18(33-15)17(35)32-10-20(2,3)37)11-6-7-12(14(25)13(11)24)21(38,22(26,27)28)23(29,30)31/h6-7,37-38H,5,8-10H2,1-4H3,(H,32,35)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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


(Homo sapiens (Human))
BDBM310630
PNG
(US10150762, Example 2/15)
Show SMILES CCN(C1CCC1)C(=O)c1nc(sc1-c1ccc(c(Cl)c1Cl)C(O)(C(F)(F)F)C(F)(F)F)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H25Cl2F6N3O4S/c1-4-35(11-6-5-7-11)20(37)16-17(40-19(34-16)18(36)33-10-21(2,3)38)12-8-9-13(15(26)14(12)25)22(39,23(27,28)29)24(30,31)32/h8-9,11,38-39H,4-7,10H2,1-3H3,(H,33,36)
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Janssen Pharmaceutica, NV

US Patent


Assay Description
Project compounds were arranged in a pre-dosed mother plate (Greiner Bio-one) wherein compounds are serially diluted in 100% DMSO by 1:2 from a high ...


US Patent US10150762 (2018)

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