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Compile Data Set for Download or QSAR

Found 223 hits Enz. Inhib. hit(s) with Target = 'Retinoid-related orphan receptor-gamma (RORgT)'   
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
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220248
PNG
(US9290476, 93)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnc(C)n1C)c1cnc(C)n1C
Show InChI InChI=1S/C29H27ClF3N5O2/c1-16-34-14-24(37(16)3)28(39,25-15-35-17(2)38(25)4)20-10-11-23-21(13-20)26(30)22(27(36-23)40-5)12-18-6-8-19(9-7-18)29(31,32)33/h6-11,13-15,39H,12H2,1-5H3
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US Patent
n/an/an/a 0.0170n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM50058935
PNG
(CHEMBL3358455 | US9290476, 79C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1sc(C)nc1C
Show InChI InChI=1S/C27H23ClF3N5O2S/c1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-13,37H,11H2,1-4H3
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US Patent
n/an/an/a 0.0240n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
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n/an/an/a 0.0260n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220342
PNG
(US9290476, 88B | US9290476, 88C)
Show SMILES Cc1ccc(c(C)n1)C(O)(c1cnnn1C)c1ccc2nc(C#N)c(Cc3ccc(cc3)C(F)(F)F)c(C#N)c2c1
Show InChI InChI=1S/C30H22F3N7O/c1-17-4-10-25(18(2)37-17)29(41,28-16-36-39-40(28)3)21-9-11-26-23(13-21)24(14-34)22(27(15-35)38-26)12-19-5-7-20(8-6-19)30(31,32)33/h4-11,13,16,41H,12H2,1-3H3
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n/an/an/a 0.0400n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
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n/an/an/a 0.0500n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
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n/an/an/a 0.110n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
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n/an/an/a 0.120n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220236
PNG
(US9290476, 81A | US9290476, 81B | US9290476, 81C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C28H24F3N7O2/c1-16-33-14-24(37(16)2)27(39,25-15-34-36-38(25)3)19-9-10-23-20(12-19)22(13-32)21(26(35-23)40-4)11-17-5-7-18(8-6-17)28(29,30)31/h5-10,12,14-15,39H,11H2,1-4H3
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n/an/an/a 0.120n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220233
PNG
(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
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n/an/an/a 0.140n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220235
PNG
(US9290476, 80A | US9290476, 80B | US9290476, 80C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1cnc(C)n1C
Show InChI InChI=1S/C27H24ClF3N6O2/c1-15-32-13-22(36(15)2)26(38,23-14-33-35-37(23)3)18-9-10-21-19(12-18)24(28)20(25(34-21)39-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-14,38H,11H2,1-4H3
PDB

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n/an/an/a 0.140n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220246
PNG
(US9290476, 91A | US9290476, 91B | US9290476, 91C)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C
Show InChI InChI=1S/C27H27ClF3N5O3S/c1-4-22-20(11-16-5-7-17(8-6-16)27(29,30)31)25(28)21-12-18(9-10-23(21)33-22)26(37,24-13-32-34-35(24)2)19-14-36(15-19)40(3,38)39/h5-10,12-13,19,37H,4,11,14-15H2,1-3H3
PDB

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n/an/an/a 0.230n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220246
PNG
(US9290476, 91A | US9290476, 91B | US9290476, 91C)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)S(C)(=O)=O)c1cnnn1C
Show InChI InChI=1S/C27H27ClF3N5O3S/c1-4-22-20(11-16-5-7-17(8-6-16)27(29,30)31)25(28)21-12-18(9-10-23(21)33-22)26(37,24-13-32-34-35(24)2)19-14-36(15-19)40(3,38)39/h5-10,12-13,19,37H,4,11,14-15H2,1-3H3
PDB

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n/an/an/a 0.25n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220234
PNG
(US9290476, 78A | US9290476, 78B | US9290476, 78C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C30H25F3N6O2/c1-17-5-11-25(18(2)36-17)29(40,27-16-35-38-39(27)3)21-10-12-26-22(14-21)24(15-34)23(28(37-26)41-4)13-19-6-8-20(9-7-19)30(31,32)33/h5-12,14,16,40H,13H2,1-4H3
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n/an/an/a 0.280n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220213
PNG
(US9290476, 56)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1cncn1C
Show InChI InChI=1S/C30H28ClN7O2/c1-19-12-21(30(39,25-15-32-17-36(25)2)26-16-33-18-37(26)3)14-23-27(31)24(29(40-4)35-28(19)23)13-20-6-8-22(9-7-20)38-11-5-10-34-38/h5-12,14-18,39H,13H2,1-4H3
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n/an/an/a 0.290n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220245
PNG
(US9290476, 90A | US9290476, 90B | US9290476, 90C)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C28H27ClF3N5O2/c1-4-23-21(11-17-5-7-18(8-6-17)28(30,31)32)26(29)22-12-19(9-10-24(22)34-23)27(39,25-13-33-35-36(25)3)20-14-37(15-20)16(2)38/h5-10,12-13,20,39H,4,11,14-15H2,1-3H3
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n/an/an/a 0.320n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220245
PNG
(US9290476, 90A | US9290476, 90B | US9290476, 90C)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C28H27ClF3N5O2/c1-4-23-21(11-17-5-7-18(8-6-17)28(30,31)32)26(29)22-12-19(9-10-24(22)34-23)27(39,25-13-33-35-36(25)3)20-14-37(15-20)16(2)38/h5-10,12-13,20,39H,4,11,14-15H2,1-3H3
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n/an/an/a 0.440n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220234
PNG
(US9290476, 78A | US9290476, 78B | US9290476, 78C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C30H25F3N6O2/c1-17-5-11-25(18(2)36-17)29(40,27-16-35-38-39(27)3)21-10-12-26-22(14-21)24(15-34)23(28(37-26)41-4)13-19-6-8-20(9-7-19)30(31,32)33/h5-12,14,16,40H,13H2,1-4H3
PDB

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n/an/an/a 0.520n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220245
PNG
(US9290476, 90A | US9290476, 90B | US9290476, 90C)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C28H27ClF3N5O2/c1-4-23-21(11-17-5-7-18(8-6-17)28(30,31)32)26(29)22-12-19(9-10-24(22)34-23)27(39,25-13-33-35-36(25)3)20-14-37(15-20)16(2)38/h5-10,12-13,20,39H,4,11,14-15H2,1-3H3
PDB

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n/an/an/a 0.560n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220237
PNG
(US9290476, 82)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1oc(C)nc1C
Show InChI InChI=1S/C27H23ClF3N5O3/c1-14-24(39-15(2)33-14)26(37,22-13-32-35-36(22)3)18-9-10-21-19(12-18)23(28)20(25(34-21)38-4)11-16-5-7-17(8-6-16)27(29,30)31/h5-10,12-13,37H,11H2,1-4H3
PDB

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n/an/an/a 0.630n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220252
PNG
(US9290476, 97A | US9290476, 97B | US9290476, 97C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C27H25ClF3N5O3/c1-15(37)36-13-19(14-36)26(38,23-12-32-34-35(23)2)18-8-9-22-20(11-18)24(28)21(25(33-22)39-3)10-16-4-6-17(7-5-16)27(29,30)31/h4-9,11-12,19,38H,10,13-14H2,1-3H3
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n/an/an/a 0.640n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM50058934
PNG
(CHEMBL3325743 | US9290476, 72C)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(C#N)c(Cc3ccc(cc3)-n3cccn3)c(C#N)c2c1
Show InChI InChI=1S/C32H21F3N8O/c1-42-19-38-18-30(42)31(44,22-6-10-29(39-17-22)32(33,34)35)21-5-9-27-25(14-21)26(15-36)24(28(16-37)41-27)13-20-3-7-23(8-4-20)43-12-2-11-40-43/h2-12,14,17-19,44H,13H2,1H3
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n/an/an/a 0.710n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220244
PNG
(US9290476, 89)
Show SMILES CCc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(=O)OC(C)(C)C)c1cnnn1C
Show InChI InChI=1S/C31H33ClF3N5O3/c1-6-24-22(13-18-7-9-19(10-8-18)31(33,34)35)27(32)23-14-20(11-12-25(23)37-24)30(42,26-15-36-38-39(26)5)21-16-40(17-21)28(41)43-29(2,3)4/h7-12,14-15,21,42H,6,13,16-17H2,1-5H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220166
PNG
(US9290476, 9)
Show SMILES OC(c1cncs1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1
Show InChI InChI=1S/C25H16Cl3N3OS/c26-18-6-3-15(4-7-18)10-20-23(27)19-11-16(5-8-21(19)31-24(20)28)25(32,22-13-30-14-33-22)17-2-1-9-29-12-17/h1-9,11-14,32H,10H2
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n/an/an/a 0.830n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220233
PNG
(US9290476, 77A | US9290476, 77B | US9290476, 77C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H25ClF3N5O2/c1-16-5-11-23(17(2)35-16)28(39,25-15-34-37-38(25)3)20-10-12-24-21(14-20)26(30)22(27(36-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15,39H,13H2,1-4H3
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n/an/an/a 1.10n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220340
PNG
(US9290476, 87B | US9290476, 87C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(N)(c1cnnn1C)c1ccc(C)nc1C
Show InChI InChI=1S/C29H26ClF3N6O/c1-16-5-11-23(17(2)36-16)28(34,25-15-35-38-39(25)3)20-10-12-24-21(14-20)26(30)22(27(37-24)40-4)13-18-6-8-19(9-7-18)29(31,32)33/h5-12,14-15H,13,34H2,1-4H3
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n/an/an/a 1.30n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220247
PNG
(US9290476, 92A | US9290476, 92B | US9290476, 92C)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Cc3ccc(cc3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C31H24ClF6N5O/c1-42-17-39-16-26(42)29(44,21-8-10-25(40-15-21)31(36,37)38)20-7-9-24-22(14-20)27(32)23(28(41-24)43-11-2-12-43)13-18-3-5-19(6-4-18)30(33,34)35/h3-10,14-17,44H,2,11-13H2,1H3
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n/an/an/a 1.40n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220252
PNG
(US9290476, 97A | US9290476, 97B | US9290476, 97C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C27H25ClF3N5O3/c1-15(37)36-13-19(14-36)26(38,23-12-32-34-35(23)2)18-8-9-22-20(11-18)24(28)21(25(33-22)39-3)10-16-4-6-17(7-5-16)27(29,30)31/h4-9,11-12,19,38H,10,13-14H2,1-3H3
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JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220252
PNG
(US9290476, 97A | US9290476, 97B | US9290476, 97C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(C1CN(C1)C(C)=O)c1cnnn1C
Show InChI InChI=1S/C27H25ClF3N5O3/c1-15(37)36-13-19(14-36)26(38,23-12-32-34-35(23)2)18-8-9-22-20(11-18)24(28)21(25(33-22)39-3)10-16-4-6-17(7-5-16)27(29,30)31/h4-9,11-12,19,38H,10,13-14H2,1-3H3
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n/an/an/a 1.40n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220177
PNG
(US9290476, 20A | US9290476, 20B)
Show SMILES COc1ccc(cn1)C(O)(c1cncs1)c1ccc2nc(OC)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C30H24ClN5O3S/c1-38-27-11-7-21(16-33-27)30(37,26-17-32-18-40-26)20-6-10-25-23(15-20)28(31)24(29(35-25)39-2)14-19-4-8-22(9-5-19)36-13-3-12-34-36/h3-13,15-18,37H,14H2,1-2H3
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n/an/an/a 1.40n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220219
PNG
(US9290476, 62A | US9290476, 62B | US9290476, 62C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C29H21ClF6N4O2/c1-40-15-37-14-24(40)27(41,19-8-10-23(38-13-19)29(34,35)36)18-7-9-22-20(12-18)25(30)21(26(39-22)42-2)11-16-3-5-17(6-4-16)28(31,32)33/h3-10,12-15,41H,11H2,1-2H3
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n/an/an/a 1.5n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220320
PNG
(US9290476, 71B | US9290476, 71C)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(C#N)c(Cc3ccc(cc3)-n3cccn3)c(C#N)c2c1
Show InChI InChI=1S/C32H22ClN7O/c1-39-20-36-19-31(39)32(41,22-5-8-24(33)9-6-22)23-7-12-29-27(16-23)28(17-34)26(30(18-35)38-29)15-21-3-10-25(11-4-21)40-14-2-13-37-40/h2-14,16,19-20,41H,15H2,1H3
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n/an/an/a 1.60n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220251
PNG
(US9290476, 96A | US9290476, 96B | US9290476, 96C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H22F3N5O2/c1-39-18-37-17-28(39)30(40,21-7-5-20(15-35)6-8-21)23-11-12-27-24(14-23)26(16-36)25(29(38-27)41-2)13-19-3-9-22(10-4-19)31(32,33)34/h3-12,14,17-18,40H,13H2,1-2H3
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n/an/an/a 1.90n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220225
PNG
(US9290476, 68A | US9290476, 68B | US9290476, 68C)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C33H27ClF3N7O/c1-42-20-38-19-29(42)32(45,23-7-11-28(39-18-23)33(35,36)37)22-6-10-27-25(17-22)30(34)26(31(41-27)43-13-3-14-43)16-21-4-8-24(9-5-21)44-15-2-12-40-44/h2,4-12,15,17-20,45H,3,13-14,16H2,1H3
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n/an/an/a 2.10n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220251
PNG
(US9290476, 96A | US9290476, 96B | US9290476, 96C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)C(F)(F)F)C(O)(c1cncn1C)c1ccc(cc1)C#N
Show InChI InChI=1S/C31H22F3N5O2/c1-39-18-37-17-28(39)30(40,21-7-5-20(15-35)6-8-21)23-11-12-27-24(14-23)26(16-36)25(29(38-27)41-2)13-19-3-9-22(10-4-19)31(32,33)34/h3-12,14,17-18,40H,13H2,1-2H3
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n/an/an/a 2.20n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220187
PNG
(US9290476, 30)
Show SMILES Cn1cncc1C(O)(c1cncn1C)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C28H23Cl2N7O/c1-35-16-31-14-24(35)28(38,25-15-32-17-36(25)2)19-6-9-23-21(13-19)26(29)22(27(30)34-23)12-18-4-7-20(8-5-18)37-11-3-10-33-37/h3-11,13-17,38H,12H2,1-2H3
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n/an/an/a 2.20n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220247
PNG
(US9290476, 92A | US9290476, 92B | US9290476, 92C)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(Cc3ccc(cc3)C(F)(F)F)c(Cl)c2c1
Show InChI InChI=1S/C31H24ClF6N5O/c1-42-17-39-16-26(42)29(44,21-8-10-25(40-15-21)31(36,37)38)20-7-9-24-22(14-20)27(32)23(28(41-24)43-11-2-12-43)13-18-3-5-19(6-4-18)30(33,34)35/h3-10,14-17,44H,2,11-13H2,1H3
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n/an/an/a 2.5n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220176
PNG
(US9290476, 19)
Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Cc1ccccc1)C(O)(c1cncs1)c1ccc(OC)nc1
Show InChI InChI=1S/C28H24ClN3O3S/c1-3-35-27-22(13-18-7-5-4-6-8-18)26(29)21-14-19(9-11-23(21)32-27)28(33,24-16-30-17-36-24)20-10-12-25(34-2)31-15-20/h4-12,14-17,33H,3,13H2,1-2H3
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n/an/an/a 2.70n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220179
PNG
(US9290476, 22)
Show SMILES COc1ccc(cn1)C(O)(c1cncn1C)c1ccc2nc(OC)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C31H27ClN6O3/c1-37-19-33-18-27(37)31(39,22-8-12-28(40-2)34-17-22)21-7-11-26-24(16-21)29(32)25(30(36-26)41-3)15-20-5-9-23(10-6-20)38-14-4-13-35-38/h4-14,16-19,39H,15H2,1-3H3
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n/an/an/a 2.80n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220194
PNG
(US9290476, 37A | US9290476, 37B | US9290476, 37C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1cc2ccccc2s1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C30H22ClF3N4O2S/c1-38-16-35-15-26(38)29(39,19-8-10-25(36-14-19)30(32,33)34)18-7-9-23-21(12-18)27(31)22(28(37-23)40-2)13-20-11-17-5-3-4-6-24(17)41-20/h3-12,14-16,39H,13H2,1-2H3
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n/an/an/a 3.5n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220177
PNG
(US9290476, 20A | US9290476, 20B)
Show SMILES COc1ccc(cn1)C(O)(c1cncs1)c1ccc2nc(OC)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C30H24ClN5O3S/c1-38-27-11-7-21(16-33-27)30(37,26-17-32-18-40-26)20-6-10-25-23(15-20)28(31)24(29(35-25)39-2)14-19-4-8-22(9-5-19)36-13-3-12-34-36/h3-13,15-18,37H,14H2,1-2H3
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n/an/an/a 3.80n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220195
PNG
(US9290476, 38)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1ccc(F)cc1
Show InChI InChI=1S/C34H32ClFN4O3/c1-22(41)39-18-14-25(15-19-39)34(42,24-6-9-27(36)10-7-24)26-8-13-31-29(21-26)32(35)30(33(38-31)43-2)20-23-4-11-28(12-5-23)40-17-3-16-37-40/h3-13,16-17,21,25,42H,14-15,18-20H2,1-2H3
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n/an/an/a 3.90n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220180
PNG
(US9290476, 23)
Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C30H21Cl2F3N6O/c1-40-17-36-16-26(40)29(42,20-6-10-25(37-15-20)30(33,34)35)19-5-9-24-22(14-19)27(31)23(28(32)39-24)13-18-3-7-21(8-4-18)41-12-2-11-38-41/h2-12,14-17,42H,13H2,1H3
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n/an/an/a 4n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220310
PNG
(US9290476, 65B | US9290476, 65C)
Show SMILES Cc1cc(cc2c(C#N)c(Cc3ccc(cc3)-n3cccn3)c(nc12)C#N)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C33H23F3N8O/c1-20-12-23(32(45,30-18-39-19-43(30)2)22-6-9-29(40-17-22)33(34,35)36)14-26-27(15-37)25(28(16-38)42-31(20)26)13-21-4-7-24(8-5-21)44-11-3-10-41-44/h3-12,14,17-19,45H,13H2,1-2H3
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n/an/an/a 4.20n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220172
PNG
(US9290476, 15)
Show SMILES Cn1cncc1C(O)(c1cncs1)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C27H20Cl2N6OS/c1-34-15-30-13-23(34)27(36,24-14-31-16-37-24)18-5-8-22-20(12-18)25(28)21(26(29)33-22)11-17-3-6-19(7-4-17)35-10-2-9-32-35/h2-10,12-16,36H,11H2,1H3
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n/an/an/a 4.30n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220300
PNG
(US9290476, 59B | US9290476, 59C)
Show SMILES COc1cc(cc2c(Cl)c(Cc3ccc(cc3)-n3cccn3)c(OC)nc12)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C32H26ClF3N6O3/c1-41-18-37-17-27(41)31(43,20-7-10-26(38-16-20)32(34,35)36)21-14-23-28(33)24(30(45-3)40-29(23)25(15-21)44-2)13-19-5-8-22(9-6-19)42-12-4-11-39-42/h4-12,14-18,43H,13H2,1-3H3
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n/an/an/a 4.40n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220322
PNG
(US9290476, 73B | US9290476, 73C)
Show SMILES COc1nc2ccc(cc2c(C#N)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C32H24F3N7O2/c1-41-19-37-18-29(41)31(43,22-7-11-28(38-17-22)32(33,34)35)21-6-10-27-24(15-21)26(16-36)25(30(40-27)44-2)14-20-4-8-23(9-5-20)42-13-3-12-39-42/h3-13,15,17-19,43H,14H2,1-2H3
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n/an/an/a 4.5n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220175
PNG
(US9290476, 18)
Show SMILES COc1ccc(cn1)C(O)(c1cncs1)c1ccc2nc(Cl)c(Cc3ccccc3)c(Cl)c2c1
Show InChI InChI=1S/C26H19Cl2N3O2S/c1-33-23-10-8-18(13-30-23)26(32,22-14-29-15-34-22)17-7-9-21-19(12-17)24(27)20(25(28)31-21)11-16-5-3-2-4-6-16/h2-10,12-15,32H,11H2,1H3
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n/an/an/a 4.5n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220238
PNG
(US9290476, 83A | US9290476, 83B | US9290476, 83C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(C1CCN(CC1)C(C)=O)c1ccccc1
Show InChI InChI=1S/C34H33ClN4O3/c1-23(40)38-19-15-26(16-20-38)34(41,25-7-4-3-5-8-25)27-11-14-31-29(22-27)32(35)30(33(37-31)42-2)21-24-9-12-28(13-10-24)39-18-6-17-36-39/h3-14,17-18,22,26,41H,15-16,19-21H2,1-2H3
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n/an/an/a 4.70n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220186
PNG
(US9290476, 29A | US9290476, 29B | US9290476, 29C)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C32H26ClF3N6O2/c1-19-13-22(31(43,27-17-37-18-41(27)2)21-7-10-26(38-16-21)32(34,35)36)15-24-28(33)25(30(44-3)40-29(19)24)14-20-5-8-23(9-6-20)42-12-4-11-39-42/h4-13,15-18,43H,14H2,1-3H3
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n/an/an/a 4.80n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
Retinoid-related orphan receptor-gamma (RORgT)


(Homo sapiens (Human))
BDBM220186
PNG
(US9290476, 29A | US9290476, 29B | US9290476, 29C)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C32H26ClF3N6O2/c1-19-13-22(31(43,27-17-37-18-41(27)2)21-7-10-26(38-16-21)32(34,35)36)15-24-28(33)25(30(44-3)40-29(19)24)14-20-5-8-23(9-6-20)42-12-4-11-39-42/h4-13,15-18,43H,14H2,1-3H3
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n/an/an/a 4.90n/an/an/an/an/a



JANSSEN PHARMACEUTICA NV

US Patent


Assay Description
Bar-coded assay plates are robotically loaded onto a thermostatically controlled PCR-type thermal block and then heated at a typical ramp-rate of 1 &...


US Patent US9290476 (2016)


BindingDB Entry DOI: 10.7270/Q2M61J3M
More data for this
Ligand-Target Pair
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