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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))
BDBM339029
PNG
(US10201546, Example 3)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(CN3CCOCC3)c(Cl)c2c1
Show InChI InChI=1S/C25H23Cl3N4O2/c1-31-15-29-13-22(31)25(33,16-2-5-18(26)6-3-16)17-4-7-21-19(12-17)23(27)20(24(28)30-21)14-32-8-10-34-11-9-32/h2-7,12-13,15,33H,8-11,14H2,1H3
PDB

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UniChem
US Patent
n/an/an/a 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))
BDBM339404
PNG
(US10201546, Example 244b)
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-/m0/s1
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US Patent
n/an/a 780n/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))
BDBM339037
PNG
(US10201546, Example 6b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1CC1CCOCC1)[C@@](O)(C1CCN(CC1)S(C)(=O)=O)c1cncn1C
Show InChI InChI=1S/C27H35ClN4O5S/c1-31-17-29-16-24(31)27(33,19-6-10-32(11-7-19)38(3,34)35)20-4-5-23-21(15-20)25(28)22(26(30-23)36-2)14-18-8-12-37-13-9-18/h4-5,15-19,33H,6-14H2,1-3H3/t27-/m0/s1
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n/an/an/a 240n/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))
BDBM339039
PNG
(US10201546, Example 7a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCOCC1)C(O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4/c1-19(33)32-14-10-22(11-15-32)29(34,21-6-4-3-5-7-21)23-8-9-25-24(18-23)27(30)26(28(31-25)35-2)20-12-16-36-17-13-20/h3-9,18,20,22,34H,10-17H2,1-2H3
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n/an/an/a 220n/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))
BDBM339040
PNG
(US10201546, Example 7b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCOCC1)[C@](O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4/c1-19(33)32-14-10-22(11-15-32)29(34,21-6-4-3-5-7-21)23-8-9-25-24(18-23)27(30)26(28(31-25)35-2)20-12-16-36-17-13-20/h3-9,18,20,22,34H,10-17H2,1-2H3/t29-/m1/s1
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n/an/an/a 60n/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))
BDBM339040
PNG
(US10201546, Example 7b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C1CCOCC1)[C@](O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C29H33ClN2O4/c1-19(33)32-14-10-22(11-15-32)29(34,21-6-4-3-5-7-21)23-8-9-25-24(18-23)27(30)26(28(31-25)35-2)20-12-16-36-17-13-20/h3-9,18,20,22,34H,10-17H2,1-2H3/t29-/m1/s1
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n/an/a 450n/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))
BDBM339043
PNG
(US10201546, Example 9)
Show SMILES CC(=O)N1CCC(CC1)C(O)(c1cncn1C)c1ccc2nc(c(C(=O)N3CCCCC3)c(c2c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C29H31F6N5O3/c1-17(41)39-12-8-18(9-13-39)27(43,22-15-36-16-38(22)2)19-6-7-21-20(14-19)24(28(30,31)32)23(25(37-21)29(33,34)35)26(42)40-10-4-3-5-11-40/h6-7,14-16,18,43H,3-5,8-13H2,1-2H3
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))
BDBM339047
PNG
(US10201546, Example 11c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)[C@](O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3/c1-16-23(26)21-15-20(9-10-22(21)27-24(16)31-3)25(30,18-7-5-4-6-8-18)19-11-13-28(14-12-19)17(2)29/h4-10,15,19,30H,11-14H2,1-3H3/t25-/m1/s1
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n/an/an/a 3.60E+3n/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))
BDBM339047
PNG
(US10201546, Example 11c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)[C@](O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C25H27ClN2O3/c1-16-23(26)21-15-20(9-10-22(21)27-24(16)31-3)25(30,18-7-5-4-6-8-18)19-11-13-28(14-12-19)17(2)29/h4-10,15,19,30H,11-14H2,1-3H3/t25-/m1/s1
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n/an/a 5.00E+3n/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))
BDBM339049
PNG
(US10201546, Example 12b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3/t22-/m1/s1
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n/an/an/a 9.60E+3n/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))
BDBM339050
PNG
(US10201546, Example 12c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C22H22ClN5O2/c1-12-6-8-17(14(3)25-12)22(29,19-11-24-27-28(19)4)15-7-9-18-16(10-15)20(23)13(2)21(26-18)30-5/h6-11,29H,1-5H3/t22-/m0/s1
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n/an/a 330n/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))
BDBM339051
PNG
(US10201546, Example 13a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1C)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C20H20ClN5O2S/c1-10-17(21)14-8-13(6-7-15(14)24-19(10)28-5)20(27,16-9-22-25-26(16)4)18-11(2)23-12(3)29-18/h6-9,27H,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))
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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n/an/an/a 2.5n/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))
BDBM339066
PNG
(US10201546, Example 21)
Show SMILES Cc1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C22H15Cl3N2O/c1-13-20(24)18-11-15(7-8-19(18)27-21(13)25)22(28,16-5-3-9-26-12-16)14-4-2-6-17(23)10-14/h2-12,28H,1H3
PDB

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n/an/an/a 1.10E+3n/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))
BDBM339072
PNG
(US10201546, Example 27)
Show SMILES CC(C)(C)c1c(\C=C\c2ccccc2)nc2ccc(cc2c1Cl)C(O)(c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C33H28Cl2N2O/c1-32(2,3)30-29(16-14-22-9-5-4-6-10-22)37-28-17-15-24(20-27(28)31(30)35)33(38,25-12-8-18-36-21-25)23-11-7-13-26(34)19-23/h4-21,38H,1-3H3/b16-14+
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n/an/an/a 6.60E+3n/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))
BDBM339074
PNG
(US10201546, Example 29)
Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(C3CCCCC3)c(Cl)c2c1
Show InChI InChI=1S/C27H23Cl3N2O/c28-21-10-4-8-18(14-21)27(33,20-9-5-13-31-16-20)19-11-12-23-22(15-19)25(29)24(26(30)32-23)17-6-2-1-3-7-17/h4-5,8-17,33H,1-3,6-7H2
PDB

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n/an/an/a 26n/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))
BDBM339076
PNG
(US10201546, Example 31)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(OCc3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C30H25ClF3N5O2/c1-38-18-35-16-25(38)29(40,21-9-11-24(36-15-21)30(32,33)34)20-8-10-23-22(14-20)26(31)27(28(37-23)39-12-5-13-39)41-17-19-6-3-2-4-7-19/h2-4,6-11,14-16,18,40H,5,12-13,17H2,1H3
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n/an/an/a 27n/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))
BDBM339079
PNG
(US10201546, Example 34a | US10201546, Example 34b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CCCO1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O4/c1-15-28-12-21(31(15)3)26(33,22-13-29-16(2)32(22)4)17-8-9-20-19(11-17)23(27)24(25(30-20)34-5)36-14-18-7-6-10-35-18/h8-9,11-13,18,33H,6-7,10,14H2,1-5H3
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))
BDBM339079
PNG
(US10201546, Example 34a | US10201546, Example 34b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CCCO1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O4/c1-15-28-12-21(31(15)3)26(33,22-13-29-16(2)32(22)4)17-8-9-20-19(11-17)23(27)24(25(30-20)34-5)36-14-18-7-6-10-35-18/h8-9,11-13,18,33H,6-7,10,14H2,1-5H3
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n/an/a 810n/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))
BDBM339083
PNG
(US10201546, Example 36a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1(C)COC1)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O4/c1-15-6-8-19(16(2)29-15)26(33,21-11-28-31-32(21)4)17-7-9-20-18(10-17)22(27)23(24(30-20)34-5)36-14-25(3)12-35-13-25/h6-11,33H,12-14H2,1-5H3
PDB

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n/an/a 560n/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))
BDBM339084
PNG
(US10201546, Example 36b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1(C)COC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O4/c1-15-6-8-19(16(2)29-15)26(33,21-11-28-31-32(21)4)17-7-9-20-18(10-17)22(27)23(24(30-20)34-5)36-14-25(3)12-35-13-25/h6-11,33H,12-14H2,1-5H3/t26-/m0/s1
PDB

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n/an/an/a 6.90E+3n/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))
BDBM339100
PNG
(US10201546, Example 48)
Show SMILES CC(C)Oc1c(Cl)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C23H19Cl2F3N4O2/c1-12(2)34-20-19(24)15-8-13(4-6-16(15)31-21(20)25)22(33,18-10-29-11-32(18)3)14-5-7-17(30-9-14)23(26,27)28/h4-12,33H,1-3H3
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))
BDBM339104
PNG
(US10201546, Example 50a)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(C)(C)O)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H28ClN5O4/c1-14-7-9-18(15(2)28-14)25(33,20-12-27-30-31(20)5)16-8-10-19-17(11-16)21(26)22(23(29-19)34-6)35-13-24(3,4)32/h7-12,32-33H,13H2,1-6H3
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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))
BDBM339106
PNG
(US10201546, Example 50c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC(C)(C)O)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H28ClN5O4/c1-14-7-9-18(15(2)28-14)25(33,20-12-27-30-31(20)5)16-8-10-19-17(11-16)21(26)22(23(29-19)34-6)35-13-24(3,4)32/h7-12,32-33H,13H2,1-6H3/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))
BDBM339107
PNG
(US10201546, Example 51b | US10201546, Example 51c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCCN(C)C1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H33ClN6O3/c1-16-29-13-22(33(16)4)27(35,23-14-30-17(2)34(23)5)18-9-10-21-20(12-18)24(28)25(26(31-21)36-6)37-19-8-7-11-32(3)15-19/h9-10,12-14,19,35H,7-8,11,15H2,1-6H3
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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))
BDBM339107
PNG
(US10201546, Example 51b | US10201546, Example 51c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCCN(C)C1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H33ClN6O3/c1-16-29-13-22(33(16)4)27(35,23-14-30-17(2)34(23)5)18-9-10-21-20(12-18)24(28)25(26(31-21)36-6)37-19-8-7-11-32(3)15-19/h9-10,12-14,19,35H,7-8,11,15H2,1-6H3
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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))
BDBM339109
PNG
(US10201546, Example 52)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CCCN1C)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H33ClN6O3/c1-16-29-13-22(33(16)4)27(35,23-14-30-17(2)34(23)5)18-9-10-21-20(12-18)24(28)25(26(31-21)36-6)37-15-19-8-7-11-32(19)3/h9-10,12-14,19,35H,7-8,11,15H2,1-6H3
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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))
BDBM339110
PNG
(US10201546, Example 53a | US10201546, Example 53b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CCOC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O4/c1-15-28-11-21(31(15)3)26(33,22-12-29-16(2)32(22)4)18-6-7-20-19(10-18)23(27)24(25(30-20)34-5)36-14-17-8-9-35-13-17/h6-7,10-12,17,33H,8-9,13-14H2,1-5H3
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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))
BDBM339117
PNG
(US10201546, Example 56a | US10201546, Example 56b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C25H26ClF2N5O3/c1-13-29-10-19(32(13)3)25(34,20-11-30-14(2)33(20)4)15-6-7-18-17(8-15)21(26)22(23(31-18)35-5)36-12-16-9-24(16,27)28/h6-8,10-11,16,34H,9,12H2,1-5H3
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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))
BDBM339117
PNG
(US10201546, Example 56a | US10201546, Example 56b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C25H26ClF2N5O3/c1-13-29-10-19(32(13)3)25(34,20-11-30-14(2)33(20)4)15-6-7-18-17(8-15)21(26)22(23(31-18)35-5)36-12-16-9-24(16,27)28/h6-8,10-11,16,34H,9,12H2,1-5H3
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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))
BDBM339120
PNG
(US10201546, Example 57a | US10201546, Example 57b ...)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C1CC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O3/c1-14(17-7-8-17)35-24-23(27)19-11-18(9-10-20(19)30-25(24)34-6)26(33,21-12-28-15(2)31(21)4)22-13-29-16(3)32(22)5/h9-14,17,33H,7-8H2,1-6H3
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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))
BDBM339126
PNG
(US10201546, Example 61)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1(C)CC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O3/c1-15-28-12-20(31(15)4)26(33,21-13-29-16(2)32(21)5)17-7-8-19-18(11-17)22(27)23(24(30-19)34-6)35-14-25(3)9-10-25/h7-8,11-13,33H,9-10,14H2,1-6H3
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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))
BDBM339128
PNG
(US10201546, Example 63)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1(C)COC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C26H30ClN5O4/c1-15-28-10-20(31(15)4)26(33,21-11-29-16(2)32(21)5)17-7-8-19-18(9-17)22(27)23(24(30-19)34-6)36-14-25(3)12-35-13-25/h7-11,33H,12-14H2,1-6H3
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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))
BDBM339129
PNG
(US10201546, Example 64)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C25H28ClN5O3/c1-14-27-11-20(30(14)3)25(32,21-12-28-15(2)31(21)4)17-8-9-19-18(10-17)22(26)23(24(29-19)33-5)34-13-16-6-7-16/h8-12,16,32H,6-7,13H2,1-5H3
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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))
BDBM339129
PNG
(US10201546, Example 64)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCC1CC1)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C25H28ClN5O3/c1-14-27-11-20(30(14)3)25(32,21-12-28-15(2)31(21)4)17-8-9-19-18(10-17)22(26)23(24(29-19)33-5)34-13-16-6-7-16/h8-12,16,32H,6-7,13H2,1-5H3
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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))
BDBM339132
PNG
(US10201546, Example 66b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCc1ncccn1)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H24ClN7O3/c1-15-6-8-19(16(2)31-15)26(35,21-13-30-33-34(21)3)17-7-9-20-18(12-17)23(27)24(25(32-20)36-4)37-14-22-28-10-5-11-29-22/h5-13,35H,14H2,1-4H3/t26-/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))
BDBM339139
PNG
(US10201546, Example 69c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC1CCOCC1)[C@@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C26H28ClN5O4/c1-15-5-7-20(16(2)29-15)26(33,22-14-28-31-32(22)3)17-6-8-21-19(13-17)23(27)24(25(30-21)34-4)36-18-9-11-35-12-10-18/h5-8,13-14,18,33H,9-12H2,1-4H3/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))
BDBM339149
PNG
(US10201546, Example 74b)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OCCN(C)C)[C@](O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C25H29ClN6O3/c1-15-7-9-19(16(2)28-15)25(33,21-14-27-30-32(21)5)17-8-10-20-18(13-17)22(26)23(24(29-20)34-6)35-12-11-31(3)4/h7-10,13-14,33H,11-12H2,1-6H3/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))
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))
BDBM339164
PNG
(US10201546, Example 82b)
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-/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))
BDBM339164
PNG
(US10201546, Example 82b)
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-/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))
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))
BDBM339180
PNG
(US10201546, Example 90a)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(N3CCC3)c(OCC(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C25H21Cl2F3N4O2/c1-33-14-31-12-20(33)25(35,15-3-6-17(26)7-4-15)16-5-8-19-18(11-16)21(27)22(36-13-24(28,29)30)23(32-19)34-9-2-10-34/h3-8,11-12,14,35H,2,9-10,13H2,1H3
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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))
BDBM339185
PNG
(US10201546, Example 92a)
Show SMILES CCOc1c(OC)nc2ccc(cc2c1Cl)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21Cl2N3O3/c1-4-31-21-20(25)17-11-15(7-10-18(17)27-22(21)30-3)23(29,19-12-26-13-28(19)2)14-5-8-16(24)9-6-14/h5-13,29H,4H2,1-3H3
PDB

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UniProtKB/SwissProt

B.MOAD
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PC cid
PC sid
UniChem
US Patent
n/an/a 780n/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))
BDBM339187
PNG
(US10201546, Example 92c)
Show SMILES CCOc1c(OC)nc2ccc(cc2c1Cl)[C@](O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C23H21Cl2N3O3/c1-4-31-21-20(25)17-11-15(7-10-18(17)27-22(21)30-3)23(29,19-12-26-13-28(19)2)14-5-8-16(24)9-6-14/h5-13,29H,4H2,1-3H3/t23-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 200n/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))
BDBM339188
PNG
(US10201546, Example 93b)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-15(2)37-23-22(27)18-11-16(5-7-19(18)33-24(23)35-9-4-10-35)25(36,21-13-31-14-34(21)3)17-6-8-20(32-12-17)26(28,29)30/h5-8,11-15,36H,4,9-10H2,1-3H3/t25-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 1.20E+3n/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))
BDBM339188
PNG
(US10201546, Example 93b)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C26H25ClF3N5O2/c1-15(2)37-23-22(27)18-11-16(5-7-19(18)33-24(23)35-9-4-10-35)25(36,21-13-31-14-34(21)3)17-6-8-20(32-12-17)26(28,29)30/h5-8,11-15,36H,4,9-10H2,1-3H3/t25-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
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UniChem
US Patent
n/an/a 6.00E+3n/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))
BDBM339191
PNG
(US10201546, Example 94c)
Show SMILES CC(C)Oc1c(Cl)c2cc(ccc2nc1N1CCC1)[C@@](O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C26H26Cl2N4O2/c1-16(2)34-24-23(28)20-13-18(7-10-21(20)30-25(24)32-11-4-12-32)26(33,22-14-29-15-31(22)3)17-5-8-19(27)9-6-17/h5-10,13-16,33H,4,11-12H2,1-3H3/t26-/m1/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/an/a 80n/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))
BDBM339193
PNG
(US10201546, Example 95c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H22ClF3N4O3/c1-13(2)35-21-20(25)16-9-14(5-7-17(16)31-22(21)34-4)23(33,19-11-29-12-32(19)3)15-6-8-18(30-10-15)24(26,27)28/h5-13,33H,1-4H3/t23-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/an/a 180n/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))
BDBM339193
PNG
(US10201546, Example 95c)
Show SMILES COc1nc2ccc(cc2c(Cl)c1OC(C)C)[C@@](O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C24H22ClF3N4O3/c1-13(2)35-21-20(25)16-9-14(5-7-17(16)31-22(21)34-4)23(33,19-11-29-12-32(19)3)15-6-8-18(30-10-15)24(26,27)28/h5-13,33H,1-4H3/t23-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 900n/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
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* indicates data uncertainty>20%