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Compile Data Set for Download or QSAR

Found 5155 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))
BDBM220160
PNG
(US9290476, 3)
Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(F)cc3)c(Cl)c2c1
Show InChI InChI=1S/C28H18Cl3FN2O/c29-21-5-1-3-18(14-21)28(35,20-4-2-12-33-16-20)19-8-11-25-23(15-19)26(30)24(27(31)34-25)13-17-6-9-22(32)10-7-17/h1-12,14-16,35H,13H2
PDB

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US Patent
n/an/an/a 32n/an/an/a7.01



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))
BDBM220161
PNG
(US9290476, 4)
Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccc(Cl)c3)c(Cl)c2c1
Show InChI InChI=1S/C28H18Cl4N2O/c29-21-7-1-4-17(12-21)13-24-26(31)23-15-19(9-10-25(23)34-27(24)32)28(35,20-6-3-11-33-16-20)18-5-2-8-22(30)14-18/h1-12,14-16,35H,13H2
PDB

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US Patent
n/an/an/a 7.70n/an/an/a7.01



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))
BDBM220162
PNG
(US9290476, 5)
Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C31H21Cl3N4O/c32-24-6-1-4-21(17-24)31(39,23-5-2-13-35-19-23)22-9-12-28-26(18-22)29(33)27(30(34)37-28)16-20-7-10-25(11-8-20)38-15-3-14-36-38/h1-15,17-19,39H,16H2
PDB

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n/an/an/a 11n/an/an/a7.01



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))
BDBM220163
PNG
(US9290476, 6)
Show SMILES COc1ccc(Cc2c(Cl)nc3ccc(cc3c2Cl)C(O)(c2cccnc2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C29H21Cl3N2O2/c1-36-23-10-7-18(8-11-23)14-25-27(31)24-16-20(9-12-26(24)34-28(25)32)29(35,21-5-3-13-33-17-21)19-4-2-6-22(30)15-19/h2-13,15-17,35H,14H2,1H3
PDB

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n/an/an/a 15n/an/an/a7.01



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))
BDBM220164
PNG
(US9290476, 7)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(F)cc1)C(O)(c1cccnc1)c1cccc(Cl)c1
Show InChI InChI=1S/C29H21Cl2FN2O2/c1-36-28-25(14-18-7-10-23(32)11-8-18)27(31)24-16-20(9-12-26(24)34-28)29(35,21-5-3-13-33-17-21)19-4-2-6-22(30)15-19/h2-13,15-17,35H,14H2,1H3
PDB

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n/an/an/a 40n/an/an/a7.01



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))
BDBM220165
PNG
(US9290476, 8)
Show SMILES CS(=O)(=O)c1ccc(Cc2c(Cl)nc3ccc(cc3c2Cl)C(O)(c2cccnc2)c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C29H21Cl3N2O3S/c1-38(36,37)23-10-7-18(8-11-23)14-25-27(31)24-16-20(9-12-26(24)34-28(25)32)29(35,21-5-3-13-33-17-21)19-4-2-6-22(30)15-19/h2-13,15-17,35H,14H2,1H3
PDB

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n/an/an/a 43n/an/an/a7.01



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
PDB

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n/an/an/a 0.830n/an/an/a7.01



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))
BDBM220167
PNG
(US9290476, 10)
Show SMILES OC(c1cncs1)(c1cccnc1)c1ccc2nc(Cl)c(Cc3cccc(Cl)c3)cc2c1
Show InChI InChI=1S/C25H17Cl2N3OS/c26-21-5-1-3-16(10-21)9-18-11-17-12-19(6-7-22(17)30-24(18)27)25(31,23-14-29-15-32-23)20-4-2-8-28-13-20/h1-8,10-15,31H,9H2
PDB

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n/an/an/a 99n/an/an/a7.01



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))
BDBM220168
PNG
(US9290476, 11)
Show SMILES Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C30H22Cl3N5O/c1-37-18-34-17-27(37)30(39,20-5-8-22(31)9-6-20)21-7-12-26-24(16-21)28(32)25(29(33)36-26)15-19-3-10-23(11-4-19)38-14-2-13-35-38/h2-14,16-18,39H,15H2,1H3
PDB

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n/an/an/a 75n/an/an/a7.01



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))
BDBM220169
PNG
(US9290476, 12)
Show SMILES COc1ccc(Cc2c(Cl)nc3ccc(cc3c2Cl)C(O)(c2cncn2C)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C28H22Cl3N3O2/c1-34-16-32-15-25(34)28(35,18-5-8-20(29)9-6-18)19-7-12-24-22(14-19)26(30)23(27(31)33-24)13-17-3-10-21(36-2)11-4-17/h3-12,14-16,35H,13H2,1-2H3
PDB

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n/an/an/a 16n/an/an/a7.01



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))
BDBM220170
PNG
(US9290476, 13)
Show SMILES COc1ccc(Cc2c(OC)nc3ccc(cc3c2Cl)C(O)(c2cncn2C)c2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C29H25Cl2N3O3/c1-34-17-32-16-26(34)29(35,19-6-9-21(30)10-7-19)20-8-13-25-23(15-20)27(31)24(28(33-25)37-3)14-18-4-11-22(36-2)12-5-18/h4-13,15-17,35H,14H2,1-3H3
PDB

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US Patent
n/an/an/a 31n/an/an/a7.01



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))
BDBM220171
PNG
(US9290476, 14)
Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Cc1ccccc1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25Cl2N3O2/c1-3-36-28-24(15-19-7-5-4-6-8-19)27(31)23-16-21(11-14-25(23)33-28)29(35,26-17-32-18-34(26)2)20-9-12-22(30)13-10-20/h4-14,16-18,35H,3,15H2,1-2H3
PDB

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n/an/an/a 91n/an/an/a7.01



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
PDB

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n/an/an/a 4.30n/an/an/a7.01



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))
BDBM220173
PNG
(US9290476, 16)
Show SMILES CCOc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncs1)c1cncn1C
Show InChI InChI=1S/C29H25ClN6O2S/c1-3-38-28-23(13-19-5-8-21(9-6-19)36-12-4-11-33-36)27(30)22-14-20(7-10-24(22)34-28)29(37,26-16-32-18-39-26)25-15-31-17-35(25)2/h4-12,14-18,37H,3,13H2,1-2H3
PDB

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n/an/an/a 6.60n/an/an/a7.01



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))
BDBM220174
PNG
(US9290476, 17)
Show SMILES CCN(C)c1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C33H30Cl2N6O/c1-4-39(2)32-28(18-22-6-13-26(14-7-22)41-17-5-16-37-41)31(35)27-19-24(10-15-29(27)38-32)33(42,30-20-36-21-40(30)3)23-8-11-25(34)12-9-23/h5-17,19-21,42H,4,18H2,1-3H3
PDB

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n/an/an/a 310n/an/an/a7.01



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
PDB

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n/an/an/a 4.5n/an/an/a7.01



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
PDB

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n/an/an/a 2.70n/an/an/a7.01



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
PDB

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n/an/an/a 3.80n/an/an/a7.01



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
PDB

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n/an/an/a 1.40n/an/an/a7.01



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))
BDBM220188
PNG
(US9290476, 31)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25Cl2N3O4S/c1-34-17-32-16-26(34)29(35,19-6-9-21(30)10-7-19)20-8-13-25-23(15-20)27(31)24(28(33-25)38-2)14-18-4-11-22(12-5-18)39(3,36)37/h4-13,15-17,35H,14H2,1-3H3
PDB

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n/an/an/a 5.30n/an/an/a7.01



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))
BDBM220178
PNG
(US9290476, 21)
Show SMILES COc1ccc(cn1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C30H24Cl2N6O2/c1-37-18-33-17-26(37)30(39,21-7-11-27(40-2)34-16-21)20-6-10-25-23(15-20)28(31)24(29(32)36-25)14-19-4-8-22(9-5-19)38-13-3-12-35-38/h3-13,15-18,39H,14H2,1-2H3
PDB

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UniChem
US Patent
n/an/an/a 6.10n/an/an/a7.01



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/a7.01



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/a7.01



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))
BDBM220181
PNG
(US9290476, 24)
Show SMILES CCOc1nc2ccc(cc2cc1Cc1ccc(OC)cc1)C(O)(c1cncs1)c1cncn1C
Show InChI InChI=1S/C27H26N4O3S/c1-4-34-26-20(11-18-5-8-22(33-3)9-6-18)12-19-13-21(7-10-23(19)30-26)27(32,25-15-29-17-35-25)24-14-28-16-31(24)2/h5-10,12-17,32H,4,11H2,1-3H3
PDB

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n/an/an/a 750n/an/an/a7.01



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))
BDBM220182
PNG
(US9290476, 25)
Show SMILES CN(C)c1ccc(cc1)C(O)(c1cncn1C)c1ccc2nc(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)c2c1
Show InChI InChI=1S/C32H28Cl2N6O/c1-38(2)24-12-7-22(8-13-24)32(41,29-19-35-20-39(29)3)23-9-14-28-26(18-23)30(33)27(31(34)37-28)17-21-5-10-25(11-6-21)40-16-4-15-36-40/h4-16,18-20,41H,17H2,1-3H3
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n/an/an/a 440n/an/an/a7.01



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))
BDBM220183
PNG
(US9290476, 26)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(cc1)N(C)C
Show InChI InChI=1S/C33H31ClN6O2/c1-38(2)25-13-8-23(9-14-25)33(41,30-20-35-21-39(30)3)24-10-15-29-27(19-24)31(34)28(32(37-29)42-4)18-22-6-11-26(12-7-22)40-17-5-16-36-40/h5-17,19-21,41H,18H2,1-4H3
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n/an/an/a 220n/an/an/a7.01



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))
BDBM220184
PNG
(US9290476, 27 | US9290476, 85)
Show SMILES Cc1cc(cc2c(Cl)c(Cc3ccc(cc3)-n3cccn3)c(Cl)nc12)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H24Cl3N5O/c1-19-14-22(31(40,27-17-35-18-38(27)2)21-6-8-23(32)9-7-21)16-25-28(33)26(30(34)37-29(19)25)15-20-4-10-24(11-5-20)39-13-3-12-36-39/h3-14,16-18,40H,15H2,1-2H3
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n/an/an/a 85n/an/an/a7.01



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))
BDBM220185
PNG
(US9290476, 28A | US9290476, 28B | US9290476, 28C)
Show SMILES COc1nc2c(C)cc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H27Cl2N5O2/c1-20-15-23(32(40,28-18-35-19-38(28)2)22-7-9-24(33)10-8-22)17-26-29(34)27(31(41-3)37-30(20)26)16-21-5-11-25(12-6-21)39-14-4-13-36-39/h4-15,17-19,40H,16H2,1-3H3
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n/an/an/a 5.80n/an/an/a7.01



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/a7.01



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 93n/an/an/a7.01



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/a7.01



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
PDB

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n/an/an/a 2.20n/an/an/a7.01



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))
BDBM220188
PNG
(US9290476, 31)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)S(C)(=O)=O)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25Cl2N3O4S/c1-34-17-32-16-26(34)29(35,19-6-9-21(30)10-7-19)20-8-13-25-23(15-20)27(31)24(28(33-25)38-2)14-18-4-11-22(12-5-18)39(3,36)37/h4-13,15-17,35H,14H2,1-3H3
PDB

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n/an/an/a 64n/an/an/a7.01



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))
BDBM220189
PNG
(US9290476, 32)
Show SMILES OC(c1cccnc1)(c1cccc(Cl)c1)c1ccc2nc(Cl)c(Cc3cccs3)c(Cl)c2c1
Show InChI InChI=1S/C26H17Cl3N2OS/c27-19-6-1-4-16(12-19)26(32,18-5-2-10-30-15-18)17-8-9-23-21(13-17)24(28)22(25(29)31-23)14-20-7-3-11-33-20/h1-13,15,32H,14H2
PDB

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n/an/an/a 33n/an/an/a7.01



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))
BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
PDB

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n/an/an/a 43n/an/an/a7.01



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))
BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
PDB

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n/an/an/a 810n/an/an/a7.01



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))
BDBM220190
PNG
(US9290476, 33A | US9290476, 33B | US9290476, 33C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C31H25Cl2N5O2/c1-37-19-34-18-28(37)31(39,21-6-9-23(32)10-7-21)22-8-13-27-25(17-22)29(33)26(30(36-27)40-2)16-20-4-11-24(12-5-20)38-15-3-14-35-38/h3-15,17-19,39H,16H2,1-2H3
PDB

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n/an/an/a 20n/an/an/a7.01



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))
BDBM220191
PNG
(US9290476, 34)
Show SMILES COc1nc2ccc(cc2c(OC)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C32H28ClN5O3/c1-37-20-34-19-29(37)32(39,22-7-10-24(33)11-8-22)23-9-14-28-26(18-23)30(40-2)27(31(36-28)41-3)17-21-5-12-25(13-6-21)38-16-4-15-35-38/h4-16,18-20,39H,17H2,1-3H3
PDB

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n/an/an/a 250n/an/an/a7.01



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))
BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
PDB

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n/an/an/a 8n/an/an/a7.01



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))
BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
PDB

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n/an/an/a 70n/an/an/a7.01



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))
BDBM220192
PNG
(US9290476, 35A | US9290476, 35B | US9290476, 35C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1cncn1C)c1ccc(nc1)C(F)(F)F
Show InChI InChI=1S/C31H24ClF3N6O2/c1-40-18-36-17-27(40)30(42,21-7-11-26(37-16-21)31(33,34)35)20-6-10-25-23(15-20)28(32)24(29(39-25)43-2)14-19-4-8-22(9-5-19)41-13-3-12-38-41/h3-13,15-18,42H,14H2,1-2H3
PDB

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n/an/an/a 5n/an/an/a7.01



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))
BDBM220193
PNG
(US9290476, 36A | US9290476, 36B | US9290476, 36C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1cc2ccccc2s1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23Cl2N3O2S/c1-35-17-33-16-27(35)30(36,19-7-10-21(31)11-8-19)20-9-12-25-23(14-20)28(32)24(29(34-25)37-2)15-22-13-18-5-3-4-6-26(18)38-22/h3-14,16-17,36H,15H2,1-2H3
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n/an/an/a 40n/an/an/a7.01



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))
BDBM220193
PNG
(US9290476, 36A | US9290476, 36B | US9290476, 36C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1cc2ccccc2s1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23Cl2N3O2S/c1-35-17-33-16-27(35)30(36,19-7-10-21(31)11-8-19)20-9-12-25-23(14-20)28(32)24(29(34-25)37-2)15-22-13-18-5-3-4-6-26(18)38-22/h3-14,16-17,36H,15H2,1-2H3
PDB

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n/an/an/a 400n/an/an/a7.01



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))
BDBM220193
PNG
(US9290476, 36A | US9290476, 36B | US9290476, 36C)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1cc2ccccc2s1)C(O)(c1cncn1C)c1ccc(Cl)cc1
Show InChI InChI=1S/C30H23Cl2N3O2S/c1-35-17-33-16-27(35)30(36,19-7-10-21(31)11-8-19)20-9-12-25-23(14-20)28(32)24(29(34-25)37-2)15-22-13-18-5-3-4-6-26(18)38-22/h3-14,16-17,36H,15H2,1-2H3
PDB

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n/an/an/a 11n/an/an/a7.01



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
PDB

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n/an/an/a 7.80n/an/an/a7.01



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 44n/an/an/a7.01



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/a7.01



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/a7.01



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))
BDBM220196
PNG
(US9290476, 39)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1ccc(F)cc1)c1cccnc1
Show InChI InChI=1S/C32H24ClFN4O2/c1-40-31-28(18-21-5-12-26(13-6-21)38-17-3-16-36-38)30(33)27-19-23(9-14-29(27)37-31)32(39,24-4-2-15-35-20-24)22-7-10-25(34)11-8-22/h2-17,19-20,39H,18H2,1H3
PDB

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n/an/an/a 21n/an/an/a7.01



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))
BDBM220197
PNG
(US9290476, 40)
Show SMILES COc1nc2ccc(cc2c(Cl)c1Cc1ccc(cc1)-n1cccn1)C(O)(c1ccc(cc1)C(F)(F)F)c1cccnc1
Show InChI InChI=1S/C33H24ClF3N4O2/c1-43-31-28(18-21-5-12-26(13-6-21)41-17-3-16-39-41)30(34)27-19-24(11-14-29(27)40-31)32(42,25-4-2-15-38-20-25)22-7-9-23(10-8-22)33(35,36)37/h2-17,19-20,42H,18H2,1H3
PDB

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n/an/an/a 20n/an/an/a7.01



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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