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Compile Data Set for Download or QSAR

Found 2695 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-gamma'   
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
PDB

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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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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
Nuclear receptor ROR-gamma


(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
PDB

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Article
PubMed
n/an/an/a 0.0240n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay


ACS Med Chem Lett 5: 844-5 (2014)


Article DOI: 10.1021/ml500219t
BindingDB Entry DOI: 10.7270/Q27946BC
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
PDB

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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
PDB

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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))
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))
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
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
PDB

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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
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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
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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
Nuclear receptor ROR-gamma


(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



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay


ACS Med Chem Lett 5: 844-5 (2014)


Article DOI: 10.1021/ml500219t
BindingDB Entry DOI: 10.7270/Q27946BC
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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n/an/an/a 0.770n/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))
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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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
Nuclear receptor ROR-gamma


(Homo sapiens (Human))
BDBM50058887
PNG
(CHEMBL3325742)
Show SMILES OC(c1cncs1)(c1ccncc1)c1ccc2nc(Cl)c(Cc3ccc(Cl)cc3)c(Cl)c2c1
Show InChI InChI=1S/C25H16Cl3N3OS/c26-18-4-1-15(2-5-18)11-20-23(27)19-12-17(3-6-21(19)31-24(20)28)25(32,22-13-30-14-33-22)16-7-9-29-10-8-16/h1-10,12-14,32H,11H2
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n/an/an/a 0.830n/an/an/an/an/a



Therachem Research Medilab (India) Pvt. Ltd.

Curated by ChEMBL


Assay Description
Binding affinity to human wild type RORgammat ligand binding domain expressed in Escherichia coli by thermofluor assay


ACS Med Chem Lett 5: 844-5 (2014)


Article DOI: 10.1021/ml500219t
BindingDB Entry DOI: 10.7270/Q27946BC
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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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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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))
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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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))
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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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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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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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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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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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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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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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))
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))
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
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