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Patent code US11034658

Compile Data Set for Download or QSAR
Found 65 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-gamma (RORC)


(Homo sapiens (Human))
BDBM503433
PNG
(N-(((1r,4r)-4-(N-acetylsulfamoyl)cyclohexyl)methyl...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)C(C)=O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H32ClF5N4O3/c1-5-36-22(18-13-33-17(10-19(18)39-24(28)29)11-25(3,4)26(30,31)32)20(27)21(35-36)23(38)34-12-15-6-8-16(9-7-15)14(2)37/h10,13,15-16,24H,5-9,11-12H2,1-4H3,(H,34,38)/t15-,16-
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n/an/an/a 8.70n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503442
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-((S*)-3,3,3-trif...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O2/c1-4-34-21(19(25)20(33-34)22(35)32-11-15-7-5-13(2)6-8-15)17-12-31-16(9-14(3)24(28,29)30)10-18(17)36-23(26)27/h10,12-15,23H,4-9,11H2,1-3H3,(H,32,35)/t13-,14-,15-/m0/s1
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n/an/an/a 3.60n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503452
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2-(trifl...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H30F8N4O3/c1-4-37-20(14(3)19(36-37)21(38)35-12-23(39)7-5-13(2)6-8-23)16-11-34-15(9-17(16)40-22(26)27)10-18(24(28,29)30)25(31,32)33/h9,11,13,18,22,39H,4-8,10,12H2,1-3H3,(H,35,38)/t13-,23+
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n/an/an/a 8.90n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503463
PNG
(5-(4-(Difluoromethoxy)-6-(4,4,4-trifluorobutyl)pyr...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33F5N4O3/c1-4-34-21(16(3)20(33-34)22(35)32-14-24(36)10-7-15(2)8-11-24)18-13-31-17(6-5-9-25(28,29)30)12-19(18)37-23(26)27/h12-13,15,23,36H,4-11,14H2,1-3H3,(H,32,35)/t15-,24+
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n/an/an/a 100n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503464
PNG
(4-Chloro-1-ethyl-N-(((1s,4s)-1-hydroxy-4-(methylsu...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CCC(C)(C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C26H36ClF3N4O3/c1-6-34-22(18-14-31-17(13-19(18)37-5)9-10-24(3,4)26(28,29)30)20(27)21(33-34)23(35)32-15-25(36)11-7-16(2)8-12-25/h13-14,16,36H,6-12,15H2,1-5H3,(H,32,35)/t16-,25+
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n/an/an/a 20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503481
PNG
(4-Chloro-5-(3-(difluoromethoxy)-5-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O3/c1-5-35-20(17(26)19(34-35)21(36)33-13-24(37)8-6-14(2)7-9-24)18-16(38-22(27)28)10-15(12-32-18)11-23(3,4)25(29,30)31/h10,12,14,22,37H,5-9,11,13H2,1-4H3,(H,33,36)/t14-,24+
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n/an/an/a 18n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503431
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O4/c1-5-35-20(15-11-32-14(9-16(15)39-22(27)28)10-23(3,4)25(29,30)31)18(26)19(34-35)21(37)33-12-24(38)7-6-13(2)8-17(24)36/h9,11,13,17,22,36,38H,5-8,10,12H2,1-4H3,(H,33,37)/t13-,17-,24-/m1/s1
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n/an/an/a 8.10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503435
PNG
(N-(((1r,4r)-4-(N-carbamoylsulfamoyl)cyclohexyl)met...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)NCS(=O)(=O)NO)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H34ClF5N6O5S/c1-4-37-21(17-12-32-16(9-18(17)42-23(27)28)10-24(2,3)25(29,30)31)19(26)20(35-37)22(38)33-11-14-5-7-15(8-6-14)34-13-43(40,41)36-39/h9,12,14-15,23,34,36,39H,4-8,10-11,13H2,1-3H3,(H,33,38)/t14-,15-
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n/an/an/a 2.90n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503436
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H35F5N4O3/c1-6-35-21(16(3)20(34-35)22(36)33-14-25(37)9-7-15(2)8-10-25)18-13-32-17(11-19(18)38-23(27)28)12-24(4,5)26(29,30)31/h11,13,15,23,37H,6-10,12,14H2,1-5H3,(H,33,36)/t15-,25+
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n/an/an/a 11n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503437
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O2/c1-5-35-21(19(26)20(34-35)22(36)33-12-15-8-6-14(2)7-9-15)17-13-32-16(10-18(17)37-23(27)28)11-24(3,4)25(29,30)31/h10,13-15,23H,5-9,11-12H2,1-4H3,(H,33,36)/t14-,15-
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n/an/an/a 0.75n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503454
PNG
(4-Chloro-5-(4-(difluoromethyl)-6-(3,3,3-trifluoro-...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F
Show InChI InChI=1S/C25H32ClF5N4O/c1-5-35-21(19(26)20(34-35)23(36)33-12-15-8-6-14(2)7-9-15)18-13-32-16(10-17(18)22(27)28)11-24(3,4)25(29,30)31/h10,13-15,22H,5-9,11-12H2,1-4H3,(H,33,36)/t14-,15-
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n/an/an/a 17n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503457
PNG
(5-(4-(Difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimet...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F
Show InChI InChI=1S/C26H35F5N4O/c1-6-35-22(16(3)21(34-35)24(36)33-13-17-9-7-15(2)8-10-17)20-14-32-18(11-19(20)23(27)28)12-25(4,5)26(29,30)31/h11,14-15,17,23H,6-10,12-13H2,1-5H3,(H,33,36)/t15-,17-
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n/an/an/a 24n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503459
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES C[C@H]1CC[C@H](CNC(=O)c2nn(C)c(c2C)-c2cnc(CC(C)(C)C(F)(F)F)cc2OC(F)F)CC1
Show InChI InChI=1S/C25H33F5N4O2/c1-14-6-8-16(9-7-14)12-32-22(35)20-15(2)21(34(5)33-20)18-13-31-17(10-19(18)36-23(26)27)11-24(3,4)25(28,29)30/h10,13-14,16,23H,6-9,11-12H2,1-5H3,(H,32,35)/t14-,16-
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n/an/an/a 26n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503461
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(4,4,4-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O3/c1-3-34-20(16-12-31-15(5-4-8-24(28,29)30)11-17(16)37-22(26)27)18(25)19(33-34)21(35)32-13-23(36)9-6-14(2)7-10-23/h11-12,14,22,36H,3-10,13H2,1-2H3,(H,32,35)/t14-,23+
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n/an/an/a 62n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503467
PNG
(4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33ClF4N4O4/c1-5-34-20(15-11-31-14(9-16(15)38-23(29)30)10-24(3,4)22(27)28)18(26)19(33-34)21(36)32-12-25(37)7-6-13(2)8-17(25)35/h9,11,13,17,22-23,35,37H,5-8,10,12H2,1-4H3,(H,32,36)/t13-,17-,25-/m0/s1
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n/an/an/a 40n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503477
PNG
(5-(2-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C26H35F5N4O2/c1-6-35-21(16(3)20(34-35)22(36)32-14-17-9-7-15(2)8-10-17)19-12-11-18(33-23(19)37-24(27)28)13-25(4,5)26(29,30)31/h11-12,15,17,24H,6-10,13-14H2,1-5H3,(H,32,36)/t15-,17-
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n/an/an/a 0.280n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503483
PNG
(4-Chloro-1-ethyl-5-(4-ethyl-6-(3,3,3-trifluoro-2,2...)
Show SMILES CCc1cc(CC(C)(C)C(F)(F)F)ncc1-c1c(Cl)c(nn1CC)C(=O)NC[C@@]1(O)CC[C@H](C)CC1
Show InChI InChI=1S/C26H36ClF3N4O2/c1-6-17-12-18(13-24(4,5)26(28,29)30)31-14-19(17)22-20(27)21(33-34(22)7-2)23(35)32-15-25(36)10-8-16(3)9-11-25/h12,14,16,36H,6-11,13,15H2,1-5H3,(H,32,35)/t16-,25+
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n/an/an/a 30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503484
PNG
(4-Chloro-1-ethyl-5-(4-ethyl-6-((R*)-3,3,3-trifluor...)
Show SMILES CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(nn1CC)C(=O)NC[C@@]1(O)CC[C@H](C)CC1
Show InChI InChI=1S/C25H34ClF3N4O2/c1-5-17-12-18(11-16(4)25(27,28)29)30-13-19(17)22-20(26)21(32-33(22)6-2)23(34)31-14-24(35)9-7-15(3)8-10-24/h12-13,15-16,35H,5-11,14H2,1-4H3,(H,31,34)/t15-,16-,24+/m1/s1
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n/an/an/a 120n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503491
PNG
(4-Chloro-1-ethyl-N-(((1r,4R)-1-hydroxy-4-(methylsu...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@H](C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C23H30ClF3N4O4/c1-5-31-20(15-11-28-17(10-16(15)34-4)35-14(3)23(25,26)27)18(24)19(30-31)21(32)29-12-22(33)8-6-13(2)7-9-22/h10-11,13-14,33H,5-9,12H2,1-4H3,(H,29,32)/t13-,14-,22+/m1/s1
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n/an/an/a 12n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503493
PNG
(US11034658, Example 65)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@H](C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C23H30ClF3N4O3/c1-5-31-21(16-12-28-18(10-17(16)33-4)34-14(3)23(25,26)27)19(24)20(30-31)22(32)29-11-15-8-6-13(2)7-9-15/h10,12-15H,5-9,11H2,1-4H3,(H,29,32)/t13-,14-,15-/m1/s1
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n/an/an/a 12n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503438
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O3/c1-5-35-20(18(26)19(34-35)21(36)33-13-24(37)8-6-14(2)7-9-24)16-12-32-15(10-17(16)38-22(27)28)11-23(3,4)25(29,30)31/h10,12,14,22,37H,5-9,11,13H2,1-4H3,(H,33,36)/t14-,24+
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n/an/an/a 3.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503447
PNG
(5-(4-(Difluoromethoxy)-6-((R*)-3,3,3-trifluoro-2-m...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33F5N4O2/c1-5-34-22(16(4)21(33-34)23(35)32-12-17-8-6-14(2)7-9-17)19-13-31-18(10-15(3)25(28,29)30)11-20(19)36-24(26)27/h11,13-15,17,24H,5-10,12H2,1-4H3,(H,32,35)/t14-,15-,17-/m1/s1
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n/an/an/a 17n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503450
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H27ClF8N4O3/c1-3-37-19(17(25)18(36-37)20(38)35-11-22(39)6-4-12(2)5-7-22)14-10-34-13(8-15(14)40-21(26)27)9-16(23(28,29)30)24(31,32)33/h8,10,12,16,21,39H,3-7,9,11H2,1-2H3,(H,35,38)/t12-,22+
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n/an/an/a 6.40n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503471
PNG
(5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H36F4N4O4/c1-6-34-21(17-12-31-16(10-18(17)38-24(29)30)11-25(4,5)23(27)28)15(3)20(33-34)22(36)32-13-26(37)8-7-14(2)9-19(26)35/h10,12,14,19,23-24,35,37H,6-9,11,13H2,1-5H3,(H,32,36)/t14-,19-,26-/m0/s1
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n/an/an/a 66n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503474
PNG
(4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O3/c1-5-35-19(17(26)18(34-35)20(36)32-13-24(37)10-8-14(2)9-11-24)16-7-6-15(33-21(16)38-22(27)28)12-23(3,4)25(29,30)31/h6-7,14,22,37H,5,8-13H2,1-4H3,(H,32,36)/t14-,24+
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n/an/an/a 0.660n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503485
PNG
(4-Chloro-1-ethyl-5-(4-ethyl-6-((R*)-3,3,3-trifluor...)
Show SMILES CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(Cl)c(nn1CC)C(=O)NC[C@H]1CC[C@H](C)CC1
Show InChI InChI=1S/C25H34ClF3N4O/c1-5-18-12-19(11-16(4)25(27,28)29)30-14-20(18)23-21(26)22(32-33(23)6-2)24(34)31-13-17-9-7-15(3)8-10-17/h12,14-17H,5-11,13H2,1-4H3,(H,31,34)/t15-,16-,17-/m1/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503432
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O4/c1-5-35-20(15-11-32-14(9-16(15)39-22(27)28)10-23(3,4)25(29,30)31)18(26)19(34-35)21(37)33-12-24(38)7-6-13(2)8-17(24)36/h9,11,13,17,22,36,38H,5-8,10,12H2,1-4H3,(H,33,37)/t13-,17-,24-/m0/s1
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n/an/an/a 9.10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503444
PNG
(5-(4-(Difluoromethoxy)-6-((S*)-3,3,3-trifluoro-2-m...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33F5N4O2/c1-5-34-22(16(4)21(33-34)23(35)32-12-17-8-6-14(2)7-9-17)19-13-31-18(10-15(3)25(28,29)30)11-20(19)36-24(26)27/h11,13-15,17,24H,5-10,12H2,1-4H3,(H,32,35)/t14-,15-,17-/m0/s1
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Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503465
PNG
(4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33ClF4N4O2/c1-5-34-21(19(26)20(33-34)22(35)32-12-15-8-6-14(2)7-9-15)17-13-31-16(10-18(17)36-24(29)30)11-25(3,4)23(27)28/h10,13-15,23-24H,5-9,11-12H2,1-4H3,(H,32,35)/t14-,15-
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Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503466
PNG
(4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33ClF4N4O3/c1-5-34-20(16-12-31-15(10-17(16)37-23(29)30)11-24(3,4)22(27)28)18(26)19(33-34)21(35)32-13-25(36)8-6-14(2)7-9-25/h10,12,14,22-23,36H,5-9,11,13H2,1-4H3,(H,32,35)/t14-,25+
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Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503468
PNG
(4-Chloro-5-(6-(3,3-difluoro-2,2-dimethylpropyl)-4-...)
Show SMILES CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33ClF4N4O4/c1-5-34-20(15-11-31-14(9-16(15)38-23(29)30)10-24(3,4)22(27)28)18(26)19(33-34)21(36)32-12-25(37)7-6-13(2)8-17(25)35/h9,11,13,17,22-23,35,37H,5-8,10,12H2,1-4H3,(H,32,36)/t13-,17-,25-/m1/s1
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n/an/an/a 40n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503475
PNG
(4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O4/c1-5-35-19(15-7-6-14(33-21(15)39-22(27)28)11-23(3,4)25(29,30)31)17(26)18(34-35)20(37)32-12-24(38)9-8-13(2)10-16(24)36/h6-7,13,16,22,36,38H,5,8-12H2,1-4H3,(H,32,37)/t13-,16-,24-/m1/s1
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n/an/an/a 1.70n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503482
PNG
(4-Chloro-5-(4-(1,1-difluoroethyl)-6-(3,3,3-trifluo...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(C)(F)F
Show InChI InChI=1S/C26H34ClF5N4O/c1-6-36-22(20(27)21(35-36)23(37)34-13-16-9-7-15(2)8-10-16)18-14-33-17(11-19(18)25(5,28)29)12-24(3,4)26(30,31)32/h11,14-16H,6-10,12-13H2,1-5H3,(H,34,37)/t15-,16-
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n/an/an/a 13n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503488
PNG
(4-Chloro-1-ethyl-5-(4-methoxy-6-(3,3,3-trifluoro-2...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33)/t14-,15?,16-
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n/an/an/a 11n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503434
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)S(=O)(=O)NC(=O)NC)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H34ClF5N6O5S/c1-5-38-21(17-13-34-15(10-18(17)43-23(28)29)11-25(2,3)26(30,31)32)19(27)20(36-38)22(39)35-12-14-6-8-16(9-7-14)44(41,42)37-24(40)33-4/h10,13-14,16,23H,5-9,11-12H2,1-4H3,(H,35,39)(H2,33,37,40)/t14-,16-
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n/an/an/a 1.90n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503440
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)NS(=O)=O)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H34F5N5O4S/c1-5-35-21(18-13-31-17(10-19(18)39-23(26)27)11-24(3,4)25(28,29)30)14(2)20(33-35)22(36)32-12-15-6-8-16(9-7-15)34-40(37)38/h10,13,15-16,23,40H,5-9,11-12H2,1-4H3,(H,32,36)(H,34,37,38)/t15-,16-
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n/an/an/a 4.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503445
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-((R*)-3,3,3-trif...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O2/c1-4-34-21(19(25)20(33-34)22(35)32-11-15-7-5-13(2)6-8-15)17-12-31-16(9-14(3)24(28,29)30)10-18(17)36-23(26)27/h10,12-15,23H,4-9,11H2,1-3H3,(H,32,35)/t13-,14-,15-/m1/s1
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n/an/an/a 4.10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503462
PNG
(5-(4-(Difluoromethoxy)-6-(4,4,4-trifluorobutyl)pyr...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33F5N4O2/c1-4-34-22(16(3)21(33-34)23(35)32-13-17-9-7-15(2)8-10-17)19-14-31-18(6-5-11-25(28,29)30)12-20(19)36-24(26)27/h12,14-15,17,24H,4-11,13H2,1-3H3,(H,32,35)/t15-,17-
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n/an/an/a 34n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503470
PNG
(5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H36F4N4O3/c1-6-34-21(16(3)20(33-34)22(35)32-14-26(36)9-7-15(2)8-10-26)18-13-31-17(11-19(18)37-24(29)30)12-25(4,5)23(27)28/h11,13,15,23-24,36H,6-10,12,14H2,1-5H3,(H,32,35)/t15-,26+
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n/an/an/a 35n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503473
PNG
(4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O2/c1-5-35-20(18(26)19(34-35)21(36)32-13-15-8-6-14(2)7-9-15)17-11-10-16(33-22(17)37-23(27)28)12-24(3,4)25(29,30)31/h10-11,14-15,23H,5-9,12-13H2,1-4H3,(H,32,36)/t14-,15-
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n/an/an/a 0.350n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503476
PNG
(4-Chloro-5-(2-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(Cl)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O4/c1-5-35-19(15-7-6-14(33-21(15)39-22(27)28)11-23(3,4)25(29,30)31)17(26)18(34-35)20(37)32-12-24(38)9-8-13(2)10-16(24)36/h6-7,13,16,22,36,38H,5,8-12H2,1-4H3,(H,32,37)/t13-,16-,24-/m0/s1
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n/an/an/a 2n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503490
PNG
(4-Chloro-1-ethyl-5-(4-methoxy-6-((S*)-3,3,3-triflu...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33)/t14-,15-,16-/m0/s1
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n/an/an/a 17n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503429
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)NS(=O)=O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H31ClF5N5O5S/c1-4-35-19(15-11-31-14(9-16(15)40-21(26)27)10-22(2,3)24(28,29)30)17(25)18(33-35)20(36)32-12-23(37)7-5-13(6-8-23)34-41(38)39/h9,11,13,21,37,41H,4-8,10,12H2,1-3H3,(H,32,36)(H,34,38,39)/t13-,23+
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n/an/an/a 11n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503439
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@@H](CC2)NS(=O)=O)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H31ClF5N5O4S/c1-4-35-20(16-12-31-15(9-17(16)39-22(26)27)10-23(2,3)24(28,29)30)18(25)19(33-35)21(36)32-11-13-5-7-14(8-6-13)34-40(37)38/h9,12-14,22,40H,4-8,10-11H2,1-3H3,(H,32,36)(H,34,37,38)/t13-,14-
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n/an/an/a 1.40n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503451
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2-(trifl...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H30F8N4O2/c1-4-37-21(14(3)20(36-37)22(38)35-11-15-7-5-13(2)6-8-15)17-12-34-16(9-18(17)39-23(26)27)10-19(24(28,29)30)25(31,32)33/h9,12-13,15,19,23H,4-8,10-11H2,1-3H3,(H,35,38)/t13-,15-
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n/an/an/a 2.5n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503455
PNG
(4-Chloro-5-(4-(difluoromethyl)-6-(3,3,3-trifluoro-...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F
Show InChI InChI=1S/C25H32ClF5N4O2/c1-5-35-20(17-12-32-15(10-16(17)21(27)28)11-23(3,4)25(29,30)31)18(26)19(34-35)22(36)33-13-24(37)8-6-14(2)7-9-24/h10,12,14,21,37H,5-9,11,13H2,1-4H3,(H,33,36)/t14-,24+
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n/an/an/a 47n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503456
PNG
(5-(4-(Difluoromethyl)-6-(3,3,3-trifluoro-2,2-dimet...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(F)F
Show InChI InChI=1S/C26H35F5N4O2/c1-6-35-21(16(3)20(34-35)23(36)33-14-25(37)9-7-15(2)8-10-25)19-13-32-17(11-18(19)22(27)28)12-24(4,5)26(29,30)31/h11,13,15,22,37H,6-10,12,14H2,1-5H3,(H,33,36)/t15-,25+
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n/an/an/a 97n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503460
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(4,4,4-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CCCC(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O2/c1-3-34-21(19(25)20(33-34)22(35)32-12-15-8-6-14(2)7-9-15)17-13-31-16(5-4-10-24(28,29)30)11-18(17)36-23(26)27/h11,13-15,23H,3-10,12H2,1-2H3,(H,32,35)/t14-,15-
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n/an/an/a 18n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503487
PNG
(4-Chloro-5-(6-(3,3-dimethylbutyl)-4-ethylpyridin-3...)
Show SMILES CCc1cc(CCC(C)(C)C)ncc1-c1c(Cl)c(nn1CC)C(=O)NC[C@@]1(O)CC[C@H](C)CC1
Show InChI InChI=1S/C27H41ClN4O2/c1-7-19-15-20(11-12-26(4,5)6)29-16-21(19)24-22(28)23(31-32(24)8-2)25(33)30-17-27(34)13-9-18(3)10-14-27/h15-16,18,34H,7-14,17H2,1-6H3,(H,30,33)/t18-,27+
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n/an/an/a 35n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503489
PNG
(4-Chloro-1-ethyl-5-(4-methoxy-6-((R*)-3,3,3-triflu...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C24H32ClF3N4O2/c1-5-32-22(18-13-29-17(11-19(18)34-4)10-15(3)24(26,27)28)20(25)21(31-32)23(33)30-12-16-8-6-14(2)7-9-16/h11,13-16H,5-10,12H2,1-4H3,(H,30,33)/t14-,15-,16-/m1/s1
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n/an/an/a 16n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503492
PNG
(4-Chloro-1-ethyl-5-(4-methoxy-6-(((S)-1,1,1-triflu...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(O[C@@H](C)C(F)(F)F)cc1OC
Show InChI InChI=1S/C23H30ClF3N4O3/c1-5-31-21(16-12-28-18(10-17(16)33-4)34-14(3)23(25,26)27)19(24)20(30-31)22(32)29-11-15-8-6-13(2)7-9-15/h10,12-15H,5-9,11H2,1-4H3,(H,29,32)/t13-,14-,15-/m0/s1
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n/an/an/a 15n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503430
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@@H](CC2)NS(=O)=O)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H34F5N5O5S/c1-5-35-20(17-12-31-16(10-18(17)40-22(26)27)11-23(3,4)25(28,29)30)14(2)19(33-35)21(36)32-13-24(37)8-6-15(7-9-24)34-41(38)39/h10,12,15,22,37,41H,5-9,11,13H2,1-4H3,(H,32,36)(H,34,38,39)/t15-,24+
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n/an/an/a 29n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503443
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-((S*)-3,3,3-trif...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O3/c1-4-34-20(16-11-31-15(9-14(3)24(28,29)30)10-17(16)37-22(26)27)18(25)19(33-34)21(35)32-12-23(36)7-5-13(2)6-8-23/h10-11,13-14,22,36H,4-9,12H2,1-3H3,(H,32,35)/t13-,14-,23+/m0/s1
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n/an/an/a 12n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503446
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-((R*)-3,3,3-trif...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(Cl)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H30ClF5N4O3/c1-4-34-20(16-11-31-15(9-14(3)24(28,29)30)10-17(16)37-22(26)27)18(25)19(33-34)21(35)32-12-23(36)7-5-13(2)6-8-23/h10-11,13-14,22,36H,4-9,12H2,1-3H3,(H,32,35)/t13-,14-,23+/m1/s1
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n/an/an/a 18n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503449
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C(F)(F)F)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C24H27ClF8N4O2/c1-3-37-20(18(25)19(36-37)21(38)35-10-13-6-4-12(2)5-7-13)15-11-34-14(8-16(15)39-22(26)27)9-17(23(28,29)30)24(31,32)33/h8,11-13,17,22H,3-7,9-10H2,1-2H3,(H,35,38)/t12-,13-
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n/an/an/a 1.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503458
PNG
(4-Chloro-5-(4-(difluoromethoxy)-6-(3,3,3-trifluoro...)
Show SMILES C[C@H]1CC[C@H](CNC(=O)c2nn(C)c(c2Cl)-c2cnc(CC(C)(C)C(F)(F)F)cc2OC(F)F)CC1
Show InChI InChI=1S/C24H30ClF5N4O2/c1-13-5-7-14(8-6-13)11-32-21(35)19-18(25)20(34(4)33-19)16-12-31-15(9-17(16)36-22(26)27)10-23(2,3)24(28,29)30/h9,12-14,22H,5-8,10-11H2,1-4H3,(H,32,35)/t13-,14-
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n/an/an/a 10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503472
PNG
(5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoro...)
Show SMILES CCn1nc(C(=O)NC[C@]2(O)CC[C@@H](C)C[C@H]2O)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H36F4N4O4/c1-6-34-21(17-12-31-16(10-18(17)38-24(29)30)11-25(4,5)23(27)28)15(3)20(33-34)22(36)32-13-26(37)8-7-14(2)9-19(26)35/h10,12,14,19,23-24,35,37H,6-9,11,13H2,1-5H3,(H,32,36)/t14-,19-,26-/m1/s1
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n/an/an/a 69n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503478
PNG
(5-(2-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C26H35F5N4O3/c1-6-35-20(16(3)19(34-35)21(36)32-14-25(37)11-9-15(2)10-12-25)18-8-7-17(33-22(18)38-23(27)28)13-24(4,5)26(29,30)31/h7-8,15,23,37H,6,9-14H2,1-5H3,(H,32,36)/t15-,25+
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n/an/an/a 1.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503479
PNG
(5-(2-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)C[C@@H]2O)c(C)c1-c1ccc(CC(C)(C)C(F)(F)F)nc1OC(F)F
Show InChI InChI=1S/C26H35F5N4O4/c1-6-35-20(15(3)19(34-35)21(37)32-13-25(38)10-9-14(2)11-18(25)36)17-8-7-16(33-22(17)39-23(27)28)12-24(4,5)26(29,30)31/h7-8,14,18,23,36,38H,6,9-13H2,1-5H3,(H,32,37)/t14-,18-,25-/m0/s1
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n/an/an/a 3.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503441
PNG
(5-(4-(Difluoromethoxy)-6-(3,3,3-trifluoro-2,2-dime...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H35F5N4O2/c1-6-35-22(16(3)21(34-35)23(36)33-13-17-9-7-15(2)8-10-17)19-14-32-18(11-20(19)37-24(27)28)12-25(4,5)26(29,30)31/h11,14-15,17,24H,6-10,12-13H2,1-5H3,(H,33,36)/t15-,17-
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n/an/an/a 2.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503448
PNG
(5-(4-(Difluoromethoxy)-6-((R*)-3,3,3-trifluoro-2-m...)
Show SMILES CCn1nc(C(=O)NC[C@@]2(O)CC[C@H](C)CC2)c(C)c1-c1cnc(C[C@@H](C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H33F5N4O3/c1-5-34-21(16(4)20(33-34)22(35)32-13-24(36)8-6-14(2)7-9-24)18-12-31-17(10-15(3)25(28,29)30)11-19(18)37-23(26)27/h11-12,14-15,23,36H,5-10,13H2,1-4H3,(H,32,35)/t14-,15-,24+/m1/s1
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n/an/an/a 34n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503453
PNG
(4-Chloro-1-ethyl-5-(4-isopropyl-6-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1cnc(CC(C)(C)C(F)(F)F)cc1C(C)C
Show InChI InChI=1S/C27H38ClF3N4O/c1-7-35-24(22(28)23(34-35)25(36)33-14-18-10-8-17(4)9-11-18)21-15-32-19(12-20(21)16(2)3)13-26(5,6)27(29,30)31/h12,15-18H,7-11,13-14H2,1-6H3,(H,33,36)/t17-,18-
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n/an/an/a 15n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503469
PNG
(5-(6-(3,3-Difluoro-2,2-dimethylpropyl)-4-(difluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(C)c1-c1cnc(CC(C)(C)C(F)F)cc1OC(F)F
Show InChI InChI=1S/C26H36F4N4O2/c1-6-34-22(16(3)21(33-34)23(35)32-13-17-9-7-15(2)8-10-17)19-14-31-18(11-20(19)36-25(29)30)12-26(4,5)24(27)28/h11,14-15,17,24-25H,6-10,12-13H2,1-5H3,(H,32,35)/t15-,17-
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n/an/an/a 6.90n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503480
PNG
(4-Chloro-5-(3-(difluoromethoxy)-5-(3,3,3-trifluoro...)
Show SMILES CCn1nc(C(=O)NC[C@H]2CC[C@H](C)CC2)c(Cl)c1-c1ncc(CC(C)(C)C(F)(F)F)cc1OC(F)F
Show InChI InChI=1S/C25H32ClF5N4O2/c1-5-35-21(18(26)20(34-35)22(36)33-12-15-8-6-14(2)7-9-15)19-17(37-23(27)28)10-16(13-32-19)11-24(3,4)25(29,30)31/h10,13-15,23H,5-9,11-12H2,1-4H3,(H,33,36)/t14-,15-
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n/an/an/a 4.70n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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


(Homo sapiens (Human))
BDBM503486
PNG
(1-Ethyl-5-(4-ethyl-6-((R*)-3,3,3-trifluoro-2-methy...)
Show SMILES CCc1cc(C[C@@H](C)C(F)(F)F)ncc1-c1c(C)c(nn1CC)C(=O)NC[C@H]1CC[C@H](C)CC1
Show InChI InChI=1S/C26H37F3N4O/c1-6-20-13-21(12-17(4)26(27,28)29)30-15-22(20)24-18(5)23(32-33(24)7-2)25(34)31-14-19-10-8-16(3)9-11-19/h13,15-17,19H,6-12,14H2,1-5H3,(H,31,34)/t16-,17-,19-/m1/s1
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n/an/an/a 43n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
ThermoFluorŪ is a fluorescence based assay that estimates ligand binding affinities by measuring the effect of a ligand on protein thermal stability ...


US Patent US11034658 (2021)

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