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Patent code US10201546

Compile Data Set for Download or QSAR

Found 769 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))
BDBM339271
PNG
(US10201546, Example 134b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/m0/s1
PDB

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n/an/a 2.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339272
PNG
(US10201546, Example 134c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3/t23-/m1/s1
PDB

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n/an/a 3.10n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339171
PNG
(US10201546, Example 85c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C22H24ClN5O3S/c1-11(2)31-19-18(23)15-9-14(7-8-16(15)26-21(19)30-6)22(29,17-10-24-27-28(17)5)20-12(3)25-13(4)32-20/h7-11,29H,1-6H3/t22-/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339269
PNG
(US10201546, Example 133c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3/t25-/m1/s1
PDB

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n/an/a 6.40n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339385
PNG
(US10201546, Example 225c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17ClF6N4O2/c1-34-11-31-10-18(34)22(35,13-5-6-32-17(8-13)23(28,29)30)12-3-4-16-14(7-12)19(24)15(9-21(25,26)27)20(33-16)36-2/h3-8,10-11,35H,9H2,1-2H3/t22-/m1/s1
PDB

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n/an/a 8n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339273
PNG
(US10201546, Example 135a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C24H27ClN6O2/c1-14-26-12-19(30(14)2)24(32,20-13-27-29-31(20)3)16-9-10-18-17(11-16)22(25)21(23(28-18)33-4)15-7-5-6-8-15/h9-13,15,32H,5-8H2,1-4H3
PDB

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n/an/a 8.20n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339207
PNG
(US10201546, Example 103a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3
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n/an/a 9.30n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339279
PNG
(US10201546, Example 137)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C21H20ClF3N6O2/c1-11-26-9-16(30(11)2)21(32,17-10-27-29-31(17)3)12-5-6-15-13(7-12)18(22)14(8-20(23,24)25)19(28-15)33-4/h5-7,9-10,32H,8H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339267
PNG
(US10201546, Example 133a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H28ClN5O2/c1-14(2)11-19-23(26)18-12-17(8-10-21(18)29-24(19)33-6)25(32,22-13-27-30-31(22)5)20-9-7-15(3)28-16(20)4/h7-10,12-14,32H,11H2,1-6H3
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n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339278
PNG
(US10201546, Example 136c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3/t26-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339259
PNG
(US10201546, Example 129c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C27H25ClF6N6O2/c1-39-22(13-36-38-39)25(41,17-5-8-35-21(12-17)27(32,33)34)16-3-4-20-18(11-16)23(28)19(24(37-20)42-2)14-40-9-6-15(7-10-40)26(29,30)31/h3-5,8,11-13,15,41H,6-7,9-10,14H2,1-2H3/t25-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339405
PNG
(US10201546, Example 244c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-6-8-33-18(10-14)24(29,30)31)13-3-4-17-16(9-13)20(25)15(21(34-17)37-2)5-7-22(26,27)28/h3-4,6,8-12,36H,5,7H2,1-2H3/t23-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339200
PNG
(US10201546, Example 100c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-5-8-37-22(12-18)28(33,34)35)17-3-4-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-6-16(7-10-40)27(30,31)32/h3-5,8,11-13,15-16,41H,6-7,9-10,14H2,1-2H3/t26-/m0/s1
PDB

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n/an/a 12n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339363
PNG
(US10201546, Example 213c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C23H17ClF6N4O3/c1-34-11-31-9-17(34)22(35,13-5-6-32-16(8-13)23(28,29)30)12-3-4-15-14(7-12)18(24)19(20(33-15)36-2)37-10-21(25,26)27/h3-9,11,35H,10H2,1-2H3/t22-/m1/s1
PDB

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n/an/a 13n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339278
PNG
(US10201546, Example 136c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O2/c1-15-9-11-20(16(2)29-15)26(33,22-14-28-31-32(22)3)18-10-12-21-19(13-18)24(27)23(25(30-21)34-4)17-7-5-6-8-17/h9-14,17,33H,5-8H2,1-4H3/t26-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339252
PNG
(US10201546, Example 126b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnc(C)n1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C29H28ClF6N5O2/c1-16-38-14-24(40(16)2)27(42,19-6-9-37-23(13-19)29(34,35)36)18-4-5-22-20(12-18)25(30)21(26(39-22)43-3)15-41-10-7-17(8-11-41)28(31,32)33/h4-6,9,12-14,17,42H,7-8,10-11,15H2,1-3H3/t27-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339377
PNG
(US10201546, Example 220)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C
Show InChI InChI=1S/C25H27ClF3N5O3/c1-12-8-16(9-17-20(26)22(37-11-24(27,28)29)23(36-7)31-21(12)17)25(35,18-10-30-15(4)33(18)5)19-13(2)32-34(6)14(19)3/h8-10,35H,11H2,1-7H3
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339165
PNG
(US10201546, Example 82c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C24H27ClN6O2S/c1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22/h7-8,11-13,32H,6,9-10H2,1-5H3/t24-/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339389
PNG
(US10201546, Example 227c)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19ClF6N4O/c1-3-17-16(10-22(26,27)28)21(25)15-8-13(4-5-18(15)34-17)23(36,20-11-32-12-35(20)2)14-6-7-33-19(9-14)24(29,30)31/h4-9,11-12,36H,3,10H2,1-2H3/t23-/m1/s1
PDB

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n/an/a 15n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339270
PNG
(US10201546, Example 134a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(C)C)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C23H27ClN6O2/c1-13(2)9-17-21(24)16-10-15(7-8-18(16)27-22(17)32-6)23(31,20-12-26-28-30(20)5)19-11-25-14(3)29(19)4/h7-8,10-13,31H,9H2,1-6H3
PDB

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n/an/a 15n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339215
PNG
(US10201546, Example 106c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/m1/s1
PDB

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n/an/a 17n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339214
PNG
(US10201546, Example 106b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339214
PNG
(US10201546, Example 106b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H29ClF3N7O2/c1-15-31-12-21(35(15)2)25(38,22-13-32-34-36(22)3)17-5-6-20-18(11-17)23(27)19(24(33-20)39-4)14-37-9-7-16(8-10-37)26(28,29)30/h5-6,11-13,16,38H,7-10,14H2,1-4H3/t25-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339346
PNG
(US10201546, Example 206a | US10201546, Example 206...)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H20F3N7O2/c1-12-27-10-18(31(12)2)22(33,19-11-28-30-32(19)3)13-5-6-17-14(7-13)16(9-26)15(8-21(23,24)25)20(29-17)34-4/h5-7,10-11,33H,8H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339222
PNG
(US10201546, Example 109c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(F)(F)C1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H25ClF2N6O2/c1-14-5-7-19(15(2)30-14)25(35,21-10-29-32-33(21)3)16-6-8-20-17(9-16)22(26)18(23(31-20)36-4)11-34-12-24(27,28)13-34/h5-10,35H,11-13H2,1-4H3/t25-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339374
PNG
(US10201546, Example 218c)
Show SMILES COc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H17F6N5O2/c1-35-12-32-11-20(35)23(36,14-5-6-33-19(8-14)24(28,29)30)13-3-4-18-15(7-13)17(10-31)16(9-22(25,26)27)21(34-18)37-2/h3-8,11-12,36H,9H2,1-2H3/t23-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339403
PNG
(US10201546, Example 244a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)C(O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-6-8-33-18(10-14)24(29,30)31)13-3-4-17-16(9-13)20(25)15(21(34-17)37-2)5-7-22(26,27)28/h3-4,6,8-12,36H,5,7H2,1-2H3
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339387
PNG
(US10201546, Example 226c)
Show SMILES CCc1nc2ccc(cc2c(C#N)c1CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H19F6N5O/c1-3-19-17(10-23(26,27)28)18(11-32)16-8-14(4-5-20(16)35-19)24(37,22-12-33-13-36(22)2)15-6-7-34-21(9-15)25(29,30)31/h4-9,12-13,37H,3,10H2,1-2H3/t24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339163
PNG
(US10201546, Example 82a)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C24H27ClN6O2S/c1-13(2)33-21-20(25)17-11-16(7-8-18(17)28-23(21)31-9-6-10-31)24(32,19-12-26-29-30(19)5)22-14(3)27-15(4)34-22/h7-8,11-13,32H,6,9-10H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339218
PNG
(US10201546, Example 107c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3/t27-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339216
PNG
((4-Chloro-3-((4,4-difluoropiperidin-1-yl)methyl)-2...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(F)(F)CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C27H29ClF2N6O2/c1-16-5-7-21(17(2)32-16)27(37,23-14-31-34-35(23)3)18-6-8-22-19(13-18)24(28)20(25(33-22)38-4)15-36-11-9-26(29,30)10-12-36/h5-8,13-14,37H,9-12,15H2,1-4H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339136
PNG
(US10201546, Example 68c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H26ClN5O3/c1-14-5-9-19(15(2)28-14)25(32,21-12-27-30-31(21)3)17-8-10-20-18(11-17)22(26)23(24(29-20)33-4)34-13-16-6-7-16/h5,8-12,16,32H,6-7,13H2,1-4H3/t25-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339159
PNG
(US10201546, Example 80b | US10201546, Example 81b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H25ClN6O3/c1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h7-12,30H,1-6H3/t22-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339345
PNG
(US10201546, Example 205c)
Show SMILES Cn1cncc1[C@](O)(c1ccnc(c1)C(F)(F)F)c1ccc2nc(C3CC3)c(CN3CCC(CC3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C30H28ClF6N5O/c1-41-16-38-14-25(41)28(43,20-6-9-39-24(13-20)30(35,36)37)19-4-5-23-21(12-19)26(31)22(27(40-23)17-2-3-17)15-42-10-7-18(8-11-42)29(32,33)34/h4-6,9,12-14,16-18,43H,2-3,7-8,10-11,15H2,1H3/t28-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339327
PNG
(US10201546, Example 190c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN(C)CC(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF6N5O2/c1-36(12-23(27,28)29)11-17-21(26)16-8-14(4-5-18(16)35-22(17)39-3)24(38,20-10-33-13-37(20)2)15-6-7-34-19(9-15)25(30,31)32/h4-10,13,38H,11-12H2,1-3H3/t24-/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339209
PNG
(US10201546, Example 103c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-5-7-22(17(2)34-16)27(39,24-14-33-36-37(24)3)19-6-8-23-20(13-19)25(29)21(26(35-23)40-4)15-38-11-9-18(10-12-38)28(30,31)32/h5-8,13-14,18,39H,9-12,15H2,1-4H3/t27-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339331
PNG
(US10201546, Example 192c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C29H27ClF3N5O2/c1-37-17-35-15-25(37)28(39,19-5-3-18(14-34)4-6-19)21-7-8-24-22(13-21)26(30)23(27(36-24)40-2)16-38-11-9-20(10-12-38)29(31,32)33/h3-8,13,15,17,20,39H,9-12,16H2,1-2H3/t28-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339054
PNG
(US10201546, Example 14a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H26ClN5O2/c1-14-5-9-20(15(2)28-14)25(32,22-13-27-30-31(22)3)17-8-10-21-18(12-17)23(26)19(11-16-6-7-16)24(29-21)33-4/h5,8-10,12-13,16,32H,6-7,11H2,1-4H3
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339244
PNG
(US10201546, Example 122b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CCOCC1)c1cnnn1C
Show InChI InChI=1S/C26H31ClF3N5O3/c1-34-22(14-31-33-34)25(36,16-7-11-38-12-8-16)18-3-4-21-19(13-18)23(27)20(24(32-21)37-2)15-35-9-5-17(6-10-35)26(28,29)30/h3-4,13-14,16-17,36H,5-12,15H2,1-2H3/t25-/m0/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339409
PNG
(US10201546, Example 248*%)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1c(C)nn(C)c1C
Show InChI InChI=1S/C24H25ClF3N5O3/c1-12-19(13(2)33(5)31-12)24(34,18-10-29-14(3)32(18)4)15-7-8-17-16(9-15)20(25)21(22(30-17)35-6)36-11-23(26,27)28/h7-10,34H,11H2,1-6H3
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339095
PNG
(US10201546, Example 43)
Show SMILES CC(C)Oc1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C21H21Cl2N5O2S/c1-10(2)30-18-17(22)14-8-13(6-7-15(14)26-20(18)23)21(29,16-9-24-27-28(16)5)19-11(3)25-12(4)31-19/h6-10,29H,1-5H3
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339261
PNG
(US10201546, Example 130c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(C1CCOCC1)c1cnc(C)n1C
Show InChI InChI=1S/C28H34ClF3N4O3/c1-17-33-15-24(35(17)2)27(37,18-8-12-39-13-9-18)20-4-5-23-21(14-20)25(29)22(26(34-23)38-3)16-36-10-6-19(7-11-36)28(30,31)32/h4-5,14-15,18-19,37H,6-13,16H2,1-3H3/t27-/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339251
PNG
(US10201546, Example 125c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(C1CN(C1)C(C)=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C29H29ClF6N4O3/c1-16(41)40-13-20(14-40)27(42,19-5-8-37-24(12-19)29(34,35)36)18-3-4-23-21(11-18)25(30)22(26(38-23)43-2)15-39-9-6-17(7-10-39)28(31,32)33/h3-5,8,11-12,17,20,42H,6-7,9-10,13-15H2,1-2H3/t27-/m1/s1
PDB

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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339158
PNG
(US10201546, Example 80a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H25ClN6O3/c1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h7-12,30H,1-6H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339372
PNG
(US10201546, Example 217c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C25H22ClF3N4O3/c1-33-13-30-11-20(33)24(34,16-7-8-31-19(10-16)25(27,28)29)15-5-6-18-17(9-15)21(26)22(23(32-18)35-2)36-12-14-3-4-14/h5-11,13-14,34H,3-4,12H2,1-2H3/t24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339090
PNG
(US10201546, Example 38c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H29ClN6O2/c1-15(2)35-24-23(27)19-13-18(8-10-21(19)30-25(24)33-11-6-12-33)26(34,22-14-28-31-32(22)5)20-9-7-16(3)29-17(20)4/h7-10,13-15,34H,6,11-12H2,1-5H3/t26-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339160
PNG
(US10201546, Example 80c | US10201546, Example 81c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C22H25ClN6O3/c1-12(2)32-20-19(23)15-9-14(7-8-16(15)26-21(20)31-6)22(30,18-11-25-27-29(18)5)17-10-24-13(3)28(17)4/h7-12,30H,1-6H3/t22-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339056
PNG
(US10201546, Example 14c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H26ClN5O2/c1-14-5-9-20(15(2)28-14)25(32,22-13-27-30-31(22)3)17-8-10-21-18(12-17)23(26)19(11-16-6-7-16)24(29-21)33-4/h5,8-10,12-13,16,32H,6-7,11H2,1-4H3/t25-/m0/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339254
PNG
(US10201546, Example 127b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C
Show InChI InChI=1S/C25H30ClF3N6O4S/c1-33-21(11-30-32-33)24(36,17-12-35(13-17)40(3,37)38)16-4-5-20-18(10-16)22(26)19(23(31-20)39-2)14-34-8-6-15(7-9-34)25(27,28)29/h4-5,10-11,15,17,36H,6-9,12-14H2,1-3H3/t24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339227
PNG
(US10201546, Example 112c | US10201546, Example 191...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C28H26ClF6N5O2/c1-39-15-36-13-23(39)26(41,18-4-6-22(37-12-18)28(33,34)35)17-3-5-21-19(11-17)24(29)20(25(38-21)42-2)14-40-9-7-16(8-10-40)27(30,31)32/h3-6,11-13,15-16,41H,7-10,14H2,1-2H3/t26-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
A reporter assay was used to test functional activity of RORγt modulatory compounds on transcriptional activation driven by the RORγt LBD. ...


US Patent US10201546 (2019)

More data for this
Ligand-Target Pair
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