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Compile Data Set for Download or QSAR

Found 91 hits Enz. Inhib. hit(s) with Target = 'Nuclear receptor ROR-beta' AND taxid = 9606   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Nuclear receptor ROR-beta


(Homo sapiens)
BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 63n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORbeta (unknown origin) by M1H assay


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 64n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50445877
PNG
(CHEMBL3105681)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2Cl)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C26H20Cl2N2O4S2/c1-2-36(33,34)19-12-10-16(11-13-19)14-22(31)29-26-30-23(17-6-5-7-18(27)15-17)25(35-26)24(32)20-8-3-4-9-21(20)28/h3-13,15H,2,14H2,1H3,(H,29,30,31)
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n/an/a 79n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 126n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORbeta (unknown origin) by M1H assay


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50445895
PNG
(CHEMBL3105674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
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n/an/a 2.00E+3n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50012275
PNG
(CHEMBL3260000)
Show SMILES CCCCn1c2ccc(cc2c2cc(Cl)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H16ClF6NO2/c1-2-3-8-28-16-7-4-11(18(30,19(22,23)24)20(25,26)27)9-15(16)14-10-12(21)5-6-13(14)17(28)29/h4-7,9-10,30H,2-3,8H2,1H3
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n/an/a 4.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50445895
PNG
(CHEMBL3105674)
Show SMILES CCS(=O)(=O)c1ccc(CC(=O)Nc2nc(c(s2)C(=O)c2ccccc2)-c2ccccc2)cc1
Show InChI InChI=1S/C26H22N2O4S2/c1-2-34(31,32)21-15-13-18(14-16-21)17-22(29)27-26-28-23(19-9-5-3-6-10-19)25(33-26)24(30)20-11-7-4-8-12-20/h3-16H,2,17H2,1H3,(H,27,28,29)
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n/an/a<5.01E+3n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORbeta (unknown origin) by M1H assay


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a<5.01E+3n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at RORbeta (unknown origin) by M1H assay


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50012279
PNG
(CHEMBL1091940)
Show SMILES CCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C22H21F6NO2/c1-2-3-4-7-12-29-18-11-10-14(20(31,21(23,24)25)22(26,27)28)13-17(18)15-8-5-6-9-16(15)19(29)30/h5-6,8-11,13,31H,2-4,7,12H2,1H3
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n/an/a 5.40E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012277
PNG
(CHEMBL3260002)
Show SMILES CCCCn1c2ccc(cc2c2cc(O)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO3/c1-2-3-8-27-16-7-4-11(18(30,19(21,22)23)20(24,25)26)9-15(16)14-10-12(28)5-6-13(14)17(27)29/h4-7,9-10,28,30H,2-3,8H2,1H3
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n/an/a 5.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012276
PNG
(CHEMBL3260001)
Show SMILES CCCCn1c2ccc(cc2c2cc(ccc2c1=O)C(F)(F)F)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H16F9NO2/c1-2-3-8-31-16-7-5-11(18(33,20(25,26)27)21(28,29)30)9-15(16)14-10-12(19(22,23)24)4-6-13(14)17(31)32/h4-7,9-10,33H,2-3,8H2,1H3
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n/an/a 5.60E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012260
PNG
(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
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n/an/a 5.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)

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


(Homo sapiens)
BDBM50012260
PNG
(CHEMBL1091939)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H17F6NO2/c1-2-3-10-27-16-9-8-12(18(29,19(21,22)23)20(24,25)26)11-15(16)13-6-4-5-7-14(13)17(27)28/h4-9,11,29H,2-3,10H2,1H3
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n/an/a 6.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50092605
PNG
(CHEMBL3586247)
Show SMILES CCCC[Si]1(CCCC)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H26F6OSi/c1-3-5-13-31(14-6-4-2)19-10-8-7-9-17(19)18-15-16(11-12-20(18)31)21(30,22(24,25)26)23(27,28)29/h7-12,15,30H,3-6,13-14H2,1-2H3
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n/an/a 6.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)

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


(Homo sapiens)
BDBM50092607
PNG
(CHEMBL3586250)
Show SMILES CCCC[Si]1(C)c2ccccc2-c2cc(ccc12)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1/C20H20F6OSi/c1-3-4-11-28(2)16-8-6-5-7-14(16)15-12-13(9-10-17(15)28)18(27,19(21,22)23)20(24,25)26/h5-10,12,27H,3-4,11H2,1-2H3
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n/an/a 7.00E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta1 transfected in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 23: 2982-8 (2015)

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


(Homo sapiens)
BDBM50012274
PNG
(CHEMBL3259999)
Show SMILES CCCCn1c2ccc(cc2c2cc(C)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO2/c1-3-4-9-28-17-8-6-13(19(30,20(22,23)24)21(25,26)27)11-16(17)15-10-12(2)5-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
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n/an/a 7.10E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012238
PNG
(CHEMBL1765175)
Show SMILES CCCCn1c2ccc(cc2c2c(OC)cccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-10-28-15-9-8-12(19(30,20(22,23)24)21(25,26)27)11-14(15)17-13(18(28)29)6-5-7-16(17)31-2/h5-9,11,30H,3-4,10H2,1-2H3
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n/an/a 7.50E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012273
PNG
(CHEMBL1765174)
Show SMILES CCCCn1c2ccc(cc2c2cc(OC)ccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-8-5-12(19(30,20(22,23)24)21(25,26)27)10-16(17)15-11-13(31-2)6-7-14(15)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
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n/an/a 7.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012239
PNG
(CHEMBL1092222)
Show SMILES CCCCn1c2ccc(CC)cc2c2ccccc2c1=O
Show InChI InChI=1S/C19H21NO/c1-3-5-12-20-18-11-10-14(4-2)13-17(18)15-8-6-7-9-16(15)19(20)21/h6-11,13H,3-5,12H2,1-2H3
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n/an/a 7.90E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012265
PNG
(CHEMBL3259996)
Show SMILES CCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-2-9-26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)10-14(15)12-5-3-4-6-13(12)16(26)27/h3-8,10,28H,2,9H2,1H3
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n/an/a 8.20E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012262
PNG
(CHEMBL1090463)
Show SMILES OC(c1ccc2n(CC3CCCCC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C23H21F6NO2/c24-22(25,26)21(32,23(27,28)29)15-10-11-19-18(12-15)16-8-4-5-9-17(16)20(31)30(19)13-14-6-2-1-3-7-14/h4-5,8-12,14,32H,1-3,6-7,13H2
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n/an/a 8.80E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012259
PNG
(CHEMBL3259995)
Show SMILES CC(C)n1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C19H15F6NO2/c1-10(2)26-15-8-7-11(17(28,18(20,21)22)19(23,24)25)9-14(15)12-5-3-4-6-13(12)16(26)27/h3-10,28H,1-2H3
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n/an/a 9.70E+3n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50448404
PNG
(CHEMBL3121751)
Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C21H25NO/c1-20(2)12-13-21(3,4)18-14-15(10-11-17(18)20)19(23)22-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RORbeta expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 1948-59 (2014)

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


(Homo sapiens)
BDBM50448405
PNG
(CHEMBL3121750)
Show SMILES C[Si]1(C)CC[Si](C)(C)c2cc(ccc12)C(=O)Nc1ccccc1
Show InChI InChI=1S/C19H25NOSi2/c1-22(2)12-13-23(3,4)18-14-15(10-11-17(18)22)19(21)20-16-8-6-5-7-9-16/h5-11,14H,12-13H2,1-4H3,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RORbeta expressed in HEK293 cells after 18 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 1948-59 (2014)

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


(Homo sapiens)
BDBM50012268
PNG
(CHEMBL1765172)
Show SMILES CCCCn1c2c(OC)cc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-17-15(13-7-5-6-8-14(13)18(28)29)10-12(11-16(17)31-2)19(30,20(22,23)24)21(25,26)27/h5-8,10-11,30H,3-4,9H2,1-2H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50012206
PNG
(CHEMBL1093518)
Show SMILES OC(c1ccc2n(CC(F)(F)F)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H10F9NO2/c19-15(20,21)8-28-13-6-5-9(16(30,17(22,23)24)18(25,26)27)7-12(13)10-3-1-2-4-11(10)14(28)29/h1-7,30H,8H2
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n/an/a 1.01E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012248
PNG
(CHEMBL1765167)
Show SMILES CCCCn1c2cc(OC)c(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C21H19F6NO3/c1-3-4-9-28-16-11-17(31-2)15(19(30,20(22,23)24)21(25,26)27)10-14(16)12-7-5-6-8-13(12)18(28)29/h5-8,10-11,30H,3-4,9H2,1-2H3
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n/an/a 1.09E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012263
PNG
(CHEMBL3259997)
Show SMILES CCCCCCc1ccc2n(CCCC)c(=O)c3ccccc3c2c1
Show InChI InChI=1S/C23H29NO/c1-3-5-7-8-11-18-14-15-22-21(17-18)19-12-9-10-13-20(19)23(25)24(22)16-6-4-2/h9-10,12-15,17H,3-8,11,16H2,1-2H3
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n/an/a 1.13E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012258
PNG
(CHEMBL3259993)
Show SMILES OC(c1ccc2n(CC3CC3)c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C20H15F6NO2/c21-19(22,23)18(29,20(24,25)26)12-7-8-16-15(9-12)13-3-1-2-4-14(13)17(28)27(16)10-11-5-6-11/h1-4,7-9,11,29H,5-6,10H2
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n/an/a 1.18E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012264
PNG
(CHEMBL1089421)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)(C)C
Show InChI InChI=1S/C21H25NO/c1-5-6-13-22-19-12-11-15(21(2,3)4)14-18(19)16-9-7-8-10-17(16)20(22)23/h7-12,14H,5-6,13H2,1-4H3
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n/an/a 1.28E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012261
PNG
(CHEMBL1093016)
Show SMILES CCCCn1c2ccccc2c2ccccc2c1=O
Show InChI InChI=1S/C17H17NO/c1-2-3-12-18-16-11-7-6-9-14(16)13-8-4-5-10-15(13)17(18)19/h4-11H,2-3,12H2,1H3
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n/an/a 1.34E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012266
PNG
(CHEMBL1088839)
Show SMILES CCCCn1c2ccc(cc2c2ccccc2c1=O)C(C)C
Show InChI InChI=1S/C20H23NO/c1-4-5-12-21-19-11-10-15(14(2)3)13-18(19)16-8-6-7-9-17(16)20(21)22/h6-11,13-14H,4-5,12H2,1-3H3
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n/an/a 1.70E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012267
PNG
(CHEMBL1093312)
Show SMILES CCCCn1c2ccc(C)cc2c2ccccc2c1=O
Show InChI InChI=1S/C18H19NO/c1-3-4-11-19-17-10-9-13(2)12-16(17)14-7-5-6-8-15(14)18(19)20/h5-10,12H,3-4,11H2,1-2H3
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n/an/a 1.71E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012269
PNG
(CHEMBL3259994)
Show SMILES OC(c1ccc2[nH]c(=O)c3ccccc3c2c1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C16H9F6NO2/c17-15(18,19)14(25,16(20,21)22)8-5-6-12-11(7-8)9-3-1-2-4-10(9)13(24)23-12/h1-7,25H,(H,23,24)
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50396595
PNG
(CHEMBL2171906)
Show SMILES Cn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F6NO2/c1-24-13-7-6-9(15(26,16(18,19)20)17(21,22)23)8-12(13)10-4-2-3-5-11(10)14(24)25/h2-8,26H,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012270
PNG
(CHEMBL1093517)
Show SMILES CCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H13F6NO2/c1-2-25-14-8-7-10(16(27,17(19,20)21)18(22,23)24)9-13(14)11-5-3-4-6-12(11)15(25)26/h3-9,27H,2H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012271
PNG
(CHEMBL1093421)
Show SMILES CCCCCCCCCn1c2ccc(cc2c2ccccc2c1=O)C(O)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C25H27F6NO2/c1-2-3-4-5-6-7-10-15-32-21-14-13-17(23(34,24(26,27)28)25(29,30)31)16-20(21)18-11-8-9-12-19(18)22(32)33/h8-9,11-14,16,34H,2-7,10,15H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM50012272
PNG
(CHEMBL1088840)
Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O
Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3
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n/an/a>2.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay


Bioorg Med Chem 22: 2799-808 (2014)

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


(Homo sapiens)
BDBM31883
PNG
(9-cis-retinoic acid (9cRA) | ALL-TRANS-RETINOIC AC...)
Show SMILES C\C(\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C(/C)=C/C(O)=O
Show InChI InChI=1S/C20H28O2/c1-15(8-6-9-16(2)14-19(21)22)11-12-18-17(3)10-7-13-20(18,4)5/h6,8-9,11-12,14H,7,10,13H2,1-5H3,(H,21,22)/b9-6+,12-11+,15-8+,16-14+
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n/an/a 2.51E+4n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Inverse agonist activity at recombinant N-terminally GST-tagged RORbeta ligand binding domain (unknown origin) expressed in Escherichia coli incubate...


Bioorg Med Chem Lett 24: 5265-7 (2014)

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


(Homo sapiens)
BDBM50152147
PNG
(CHEMBL3781062)
Show SMILES C[Si](C)(O)c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C16H18F3NO3SSi/c1-25(2,23)15-10-8-13(9-11-15)20(12-16(17,18)19)24(21,22)14-6-4-3-5-7-14/h3-11,23H,12H2,1-2H3
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n/an/a 6.00E+4n/an/an/an/an/an/a



The University of Tokyo

Curated by ChEMBL


Assay Description
Inverse agonist activity at human RORbeta transfected in HEK293 cells after 24 hrs by beta galactosidase luciferase reporter gene assay


Bioorg Med Chem Lett 26: 1817-20 (2016)

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


(Homo sapiens)
BDBM50426729
PNG
(CHEMBL2326845)
Show SMILES CCN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C17H15F6NO3S/c1-2-24(28(26,27)14-6-4-3-5-7-14)13-10-8-12(9-11-13)15(25,16(18,19)20)17(21,22)23/h3-11,25H,2H2,1H3
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n/an/an/an/a 4.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)

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


(Homo sapiens)
BDBM50444333
PNG
(CHEMBL3094369)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H11F10NO3S/c18-11-3-7-13(8-4-11)32(30,31)28(9-14(19,20)21)12-5-1-10(2-6-12)15(29,16(22,23)24)17(25,26)27/h1-8,29H,9H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)

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


(Homo sapiens)
BDBM50444335
PNG
(CHEMBL3094367)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C18H11F9N2O3S/c19-15(20,21)10-29(33(31,32)14-7-1-11(9-28)2-8-14)13-5-3-12(4-6-13)16(30,17(22,23)24)18(25,26)27/h1-8,30H,10H2
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)

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


(Homo sapiens)
BDBM19993
PNG
(CHEMBL62136 | N-[4-(1,1,1,3,3,3-hexafluoro-2-hydro...)
Show SMILES OC(c1ccc(cc1)N(CC(F)(F)F)S(=O)(=O)c1ccccc1)(C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C17H12F9NO3S/c18-14(19,20)10-27(31(29,30)13-4-2-1-3-5-13)12-8-6-11(7-9-12)15(28,16(21,22)23)17(24,25)26/h1-9,28H,10H2
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n/an/an/an/a 6.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-fused human RORb expressed in HEK293T cells assessed as suppression of basal transcriptional activity after 20 hrs b...


Bioorg Med Chem Lett 23: 6604-9 (2013)

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


(Homo sapiens)
BDBM50012122
PNG
(CHEMBL3263695)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1cccc(c1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-8-5-4-6-9-19)16-21-12-13-23(29-21)20-10-7-11-22(14-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
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n/an/an/an/a 5.00E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay


Bioorg Med Chem Lett 24: 2182-7 (2014)

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


(Homo sapiens)
BDBM50012123
PNG
(CHEMBL3263696)
Show SMILES CC(C)CN(Cc1ccc(s1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C23H27NO4S3/c1-18(2)15-24(31(27,28)17-19-7-5-4-6-8-19)16-21-11-14-23(29-21)20-9-12-22(13-10-20)30(3,25)26/h4-14,18H,15-17H2,1-3H3
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n/an/an/an/a 2.20E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay


Bioorg Med Chem Lett 24: 2182-7 (2014)

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


(Homo sapiens)
BDBM50012130
PNG
(CHEMBL3263710)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)S(C)(=O)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H29NO4S2/c1-20(2)17-26(32(29,30)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)31(3,27)28/h4-16,20H,17-19H2,1-3H3
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n/an/an/an/a 2.50E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay


Bioorg Med Chem Lett 24: 2182-7 (2014)

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


(Homo sapiens)
BDBM50012124
PNG
(CHEMBL3263714)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(NS(C)(=O)=O)cc1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H30N2O4S2/c1-20(2)17-27(33(30,31)19-22-7-5-4-6-8-22)18-21-9-11-23(12-10-21)24-13-15-25(16-14-24)26-32(3,28)29/h4-16,20,26H,17-19H2,1-3H3
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n/an/an/an/a 3.70E+3n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay


Bioorg Med Chem Lett 24: 2182-7 (2014)

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


(Homo sapiens)
BDBM50012126
PNG
(CHEMBL3263716)
Show SMILES CC(C)CN(Cc1ccc(cc1)-c1ccc(cc1)C(N)=O)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H28N2O3S/c1-19(2)16-27(31(29,30)18-21-6-4-3-5-7-21)17-20-8-10-22(11-9-20)23-12-14-24(15-13-23)25(26)28/h3-15,19H,16-18H2,1-2H3,(H2,26,28)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Genentech

Curated by ChEMBL


Assay Description
Inverse agonist activity at human GAL4-fused RORb expressed in HEK293 cells after 5 hrs by luciferase reporter gene based transcriptional assay


Bioorg Med Chem Lett 24: 2182-7 (2014)

More data for this
Ligand-Target Pair
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