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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))
BDBM339236
PNG
(US10201546, Example 117c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cc(C)nc(C)c1
Show InChI InChI=1S/C28H30ClF3N6O2/c1-16-11-20(12-17(2)34-16)27(39,24-14-33-36-37(24)3)19-5-6-23-21(13-19)25(29)22(26(35-23)40-4)15-38-9-7-18(8-10-38)28(30,31)32/h5-6,11-14,18,39H,7-10,15H2,1-4H3/t27-/m1/s1
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US Patent
n/an/an/a 0.0200n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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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n/an/an/a 0.0600n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339027
PNG
(US10201546, Example 1c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCC(F)(F)CC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C28H30ClF2N5O2/c1-16-5-7-22(17(2)33-16)28(37,24-15-32-35-36(24)3)19-6-8-23-20(14-19)25(29)21(26(34-23)38-4)13-18-9-11-27(30,31)12-10-18/h5-8,14-15,18,37H,9-13H2,1-4H3/t28-/m0/s1
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n/an/an/a 0.100n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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/an/a 0.310n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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
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n/an/an/a 0.460n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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


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


US Patent US10201546 (2019)

More data for this
Ligand-Target Pair
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
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n/an/an/a 0.540n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339274
PNG
(US10201546, Example 135b)
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/t24-/m0/s1
PDB

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n/an/an/a 0.75n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339294
PNG
(US10201546, Example 145)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C23H23ClF3N5O2/c1-12-28-10-18(31(12)3)23(33,19-11-29-13(2)32(19)4)14-6-7-17-15(8-14)20(24)16(9-22(25,26)27)21(30-17)34-5/h6-8,10-11,33H,9H2,1-5H3
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339276
PNG
(US10201546, Example 136a)
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
PDB

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Janssen Pharmaceutica NV

US Patent


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


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
PDB

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n/an/an/a 1.10n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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
PDB

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n/an/an/a 1.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339335
PNG
(US10201546, Example 196)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)n1ccc(n1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C31H34ClF3N8O2/c1-18-36-15-26(40(18)3)30(44,27-16-37-19(2)41(27)4)20-6-7-24-22(14-20)28(32)23(29(38-24)45-5)17-42-11-8-21(9-12-42)43-13-10-25(39-43)31(33,34)35/h6-7,10,13-16,21,44H,8-9,11-12,17H2,1-5H3
PDB

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n/an/an/a 1.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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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n/an/an/a 1.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339275
PNG
(US10201546, Example 135c)
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/t24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339337
PNG
(US10201546, Example 198)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN(C)CC(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C25H28ClF3N6O2/c1-14-30-10-20(34(14)4)25(36,21-11-31-15(2)35(21)5)16-7-8-19-17(9-16)22(26)18(23(32-19)37-6)12-33(3)13-24(27,28)29/h7-11,36H,12-13H2,1-6H3
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Janssen Pharmaceutica NV

US Patent


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


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


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


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


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
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Janssen Pharmaceutica NV

US Patent


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


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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Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339243
PNG
(US10201546, Example 121c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)[C@](O)(c1cncn1C)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C26H22ClF6N5O2/c1-37-13-34-9-21(37)24(39,15-5-6-35-20(8-15)26(31,32)33)14-3-4-19-17(7-14)22(27)18(23(36-19)40-2)12-38-10-16(11-38)25(28,29)30/h3-9,13,16,39H,10-12H2,1-2H3/t24-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339238
PNG
(US10201546, Example 119b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CC(C1)C(F)(F)F)[C@](O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C24H25ClF3N7O2/c1-13-29-8-19(33(13)2)23(36,20-9-30-32-34(20)3)14-5-6-18-16(7-14)21(25)17(22(31-18)37-4)12-35-10-15(11-35)24(26,27)28/h5-9,15,36H,10-12H2,1-4H3/t23-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


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


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
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339225
PNG
((4-Chloro-2-methoxy-3-((4-(trifluoromethyl)piperid...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1ncc(C)n1C
Show InChI InChI=1S/C28H32ClF3N6O2/c1-16-13-34-26(36(16)3)27(39,23-14-33-17(2)37(23)4)19-6-7-22-20(12-19)24(29)21(25(35-22)40-5)15-38-10-8-18(9-11-38)28(30,31)32/h6-7,12-14,18,39H,8-11,15H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339248
PNG
(US10201546, Example 124b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CN1CCC(CC1)C(F)(F)F)[C@@](O)(C1CN(C1)C(C)=O)c1cnc(C)n1C
Show InChI InChI=1S/C28H33ClF3N5O3/c1-16-33-12-24(35(16)3)27(39,20-13-37(14-20)17(2)38)19-5-6-23-21(11-19)25(29)22(26(34-23)40-4)15-36-9-7-18(8-10-36)28(30,31)32/h5-6,11-12,18,20,39H,7-10,13-15H2,1-4H3/t27-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


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


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
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339340
PNG
(US10201546, Example 201)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CNC1CCCC(C1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C29H34ClF3N6O2/c1-16-34-14-24(38(16)3)28(40,25-15-35-17(2)39(25)4)18-9-10-23-21(12-18)26(30)22(27(37-23)41-5)13-36-20-8-6-7-19(11-20)29(31,32)33/h9-10,12,14-15,19-20,36,40H,6-8,11,13H2,1-5H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339336
PNG
(US10201546, Example 197)
Show SMILES CCC(NCc1c(OC)nc2ccc(cc2c1Cl)C(O)(c1cnc(C)n1C)c1cnc(C)n1C)C(F)(F)F
Show InChI InChI=1S/C26H30ClF3N6O2/c1-7-20(26(28,29)30)33-11-18-23(27)17-10-16(8-9-19(17)34-24(18)38-6)25(37,21-12-31-14(2)35(21)4)22-13-32-15(3)36(22)5/h8-10,12-13,20,33,37H,7,11H2,1-6H3
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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339292
PNG
(US10201546, Example 143c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC(F)(F)F)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C23H21ClF3N5O2/c1-12-5-7-17(13(2)29-12)23(33,19-11-28-31-32(19)3)14-6-8-18-15(9-14)20(24)16(10-22(25,26)27)21(30-18)34-4/h5-9,11,33H,10H2,1-4H3/t23-/m0/s1
PDB

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n/an/an/a 2.90n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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
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Janssen Pharmaceutica NV

US Patent


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


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


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339402
PNG
(US10201546, Example 243c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CCC(F)(F)F)[C@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H19ClF6N4O2/c1-35-12-32-11-19(35)23(36,14-4-6-18(33-10-14)24(29,30)31)13-3-5-17-16(9-13)20(25)15(21(34-17)37-2)7-8-22(26,27)28/h3-6,9-12,36H,7-8H2,1-2H3/t23-/m1/s1
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Janssen Pharmaceutica NV

US Patent


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


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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n/an/an/a 3.20n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


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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n/an/an/a 3.30n/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

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


(Homo sapiens (Human))
BDBM339378
PNG
(US10201546, Example 221)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C23H23ClF3N5O3/c1-12-28-9-17(31(12)3)23(33,18-10-29-13(2)32(18)4)14-6-7-16-15(8-14)19(24)20(21(30-16)34-5)35-11-22(25,26)27/h6-10,33H,11H2,1-5H3
PDB

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Janssen Pharmaceutica NV

US Patent


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


US Patent US10201546 (2019)

More data for this
Ligand-Target Pair
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