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Compile Data Set for Download or QSAR

Found 36 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor gamma' 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
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22427
PNG
(4-[(1Z)-4-azido-1-{4-[2-(dimethylamino)ethoxy]phen...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-
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n/an/a 5n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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PubMed
n/an/a 10.3n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22423
PNG
(4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-
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PubMed
n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane)
Show SMILES CC(C)(c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3
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n/an/a 13.1n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM29609
PNG
(4-alpha-Cumylphenol | 4-cumylphenol)
Show SMILES CC(C)(c1ccccc1)c1ccc(O)cc1
Show InChI InChI=1S/C15H16O/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(16)11-9-13/h3-11,16H,1-2H3
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n/an/a 13.9n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 79n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22424
PNG
(4-[(1Z)-5-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30ClNO2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 130n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22428
PNG
(4-[(1Z)-5-azido-1-{4-[2-(dimethylamino)ethoxy]phen...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30N4O2/c1-31(2)19-20-33-25-16-12-23(13-17-25)27(22-10-14-24(32)15-11-22)26(9-6-18-29-30-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,32H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 160n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22426
PNG
((5Z)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-6-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCC#N)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-
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n/an/a 200n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22434
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3/c1-27(2)17-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-18-28)20-6-4-3-5-7-20/h3-15,28-29H,16-19H2,1-2H3/b26-25-
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n/an/a 250n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22436
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-6-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-
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n/an/a 790n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22429
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(m...)
Show SMILES CSCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H33NO2S/c1-29(2)19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(10-7-21-32-3)22-8-5-4-6-9-22/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3/b28-27-
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n/an/a 1.00E+3n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22425
PNG
((4Z)-5-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCC#N)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H28N2O2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,19-20H2,1-2H3/b27-26-
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PubMed
n/an/a 1.30E+3n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 1.35E+3n/an/an/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human estrogen related receptor gamma expressed in HEK293 cells by luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at ERRgamma LBD assessed as inhibition of recruitment of GST-labeled coactivator Scr2 by TR-FRET assay


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM29610
PNG
(2,2-Diphenylpropane)
Show SMILES CC(C)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C15H16/c1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12H,1-2H3
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n/an/a>1.00E+4n/an/an/an/a7.425



Kyushu University



Assay Description
The receptor-binding assay was conducted using [3H]4-hydroxytamoxifen (4-OHT) as the radioligand. To estimate the binding affinity, the IC50 values (...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50336730
PNG
(4-[4-(2,4-Dioxothiazolidin-5-ylidenemethyl)-2-meth...)
Show SMILES COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(cc1C(F)(F)F)C#N
Show InChI InChI=1S/C19H11F3N2O4S/c1-27-15-7-10(8-16-17(25)24-18(26)29-16)2-5-14(15)28-13-4-3-11(9-23)6-12(13)19(20,21)22/h2-8H,1H3,(H,24,25,26)
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n/an/a>1.50E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at human ERRgamma LBD by cell based luciferase reporter gene assay


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM22438
PNG
(4-Hydroxy-benzoic acid (4-isopropyl-benzylidene)-h...)
Show SMILES CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
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n/an/an/a 5.00E+3n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to ERRgamma (unknown origin) at 20 degC by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22445
PNG
(Acyl Hydrazone, 10 | N'-[(1E)-1-[4-(diethylamino)p...)
Show SMILES CCN(CC)c1ccc(cc1)C(C)=NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C19H23N3O2/c1-4-22(5-2)17-10-6-15(7-11-17)14(3)20-21-19(24)16-8-12-18(23)13-9-16/h6-13,23H,4-5H2,1-3H3,(H,21,24)
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n/an/an/an/a 500n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22430
PNG
((5Z)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-6-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCC(O)=O)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H31NO4/c1-29(2)19-20-33-25-17-13-23(14-18-25)28(22-11-15-24(30)16-12-22)26(9-6-10-27(31)32)21-7-4-3-5-8-21/h3-5,7-8,11-18,30H,6,9-10,19-20H2,1-2H3,(H,31,32)/b28-26-
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n/an/an/an/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22444
PNG
(Acyl Hydrazone, 9 | N'-[(1E)-[4-(diethylamino)phen...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(F)cc2)cc1
Show InChI InChI=1S/C18H20FN3O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4H2,1-2H3,(H,21,23)/b20-13+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22443
PNG
(4-amino-N'-[(1E)-[4-(diethylamino)phenyl]methylide...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(N)cc2)cc1
Show InChI InChI=1S/C18H22N4O/c1-3-22(4-2)17-11-5-14(6-12-17)13-20-21-18(23)15-7-9-16(19)10-8-15/h5-13H,3-4,19H2,1-2H3,(H,21,23)/b20-13+
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n/an/an/an/a 630n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22442
PNG
(Acyl Hydrazone, 7 | N'-[(1E)-[4-(diethylamino)phen...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H21N3O/c1-3-21(4-2)17-12-10-15(11-13-17)14-19-20-18(22)16-8-6-5-7-9-16/h5-14H,3-4H2,1-2H3,(H,20,22)/b19-14+
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n/an/an/an/a 1.60E+3n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22441
PNG
(Acyl Hydrazone, 6 | N'-[(1E)-[4-(tert-butoxy)pheny...)
Show SMILES CC(C)(C)Oc1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H20N2O3/c1-18(2,3)23-16-10-4-13(5-11-16)12-19-20-17(22)14-6-8-15(21)9-7-14/h4-12,21H,1-3H3,(H,20,22)/b19-12+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22440
PNG
(Acyl Hydrazone, 5 | N'-[(1E)-[4-(diethylamino)-2-h...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)c(O)c1
Show InChI InChI=1S/C18H21N3O3/c1-3-21(4-2)15-8-5-14(17(23)11-15)12-19-20-18(24)13-6-9-16(22)10-7-13/h5-12,22-23H,3-4H2,1-2H3,(H,20,24)/b19-12+
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22439
PNG
(GSK 9089 | GSK9089 | N'-[(1E)-[4-(diethylamino)phe...)
Show SMILES CCN(CC)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C18H21N3O2/c1-3-21(4-2)16-9-5-14(6-10-16)13-19-20-18(23)15-7-11-17(22)12-8-15/h5-13,22H,3-4H2,1-2H3,(H,20,23)/b19-13+
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n/an/an/an/a 130n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22438
PNG
(4-Hydroxy-benzoic acid (4-isopropyl-benzylidene)-h...)
Show SMILES CC(C)c1ccc(\C=N\NC(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H18N2O2/c1-12(2)14-5-3-13(4-6-14)11-18-19-17(21)15-7-9-16(20)10-8-15/h3-12,20H,1-2H3,(H,19,21)/b18-11+
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n/an/an/an/a 1.30E+3n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22447
PNG
(4-Hydroxybenzenesulfonohydrazide, 12 | N -{(1E)-[4...)
Show SMILES CCN(CC)c1ccc(C=NNS(=O)(=O)c2ccc(O)cc2)cc1
Show InChI InChI=1S/C17H21N3O3S/c1-3-20(4-2)15-7-5-14(6-8-15)13-18-19-24(22,23)17-11-9-16(21)10-12-17/h5-13,19,21H,3-4H2,1-2H3
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22446
PNG
(4-hydroxy-N -{[4-(1-methylethyl)phenyl]carbonyl}be...)
Show SMILES CC(C)c1ccc(cc1)C(=O)NNC(=O)c1ccc(O)cc1
Show InChI InChI=1S/C17H18N2O3/c1-11(2)12-3-5-13(6-4-12)16(21)18-19-17(22)14-7-9-15(20)10-8-14/h3-11,20H,1-2H3,(H,18,21)(H,19,22)
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n/an/an/an/an/an/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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n/an/an/an/a 630n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/an/an/a 15n/an/a7.022



GSK



Assay Description
Recruitment of the RIP140 NR-box peptide to the ERRgamma ligand binding domain was assayed by FRET detection. Proteins were set up in a one to one ra...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22433
PNG
(4-hydroxytamoxifen (4-OHT) analog, 13 | N-[(4Z)-5-...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCNC(C)=O)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O3/c1-22(32)30-19-7-10-28(23-8-5-4-6-9-23)29(24-11-15-26(33)16-12-24)25-13-17-27(18-14-25)34-21-20-31(2)3/h4-6,8-9,11-18,33H,7,10,19-21H2,1-3H3,(H,30,32)/b29-28-
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n/an/an/an/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50093527
PNG
(CHEMBL3585698)
Show SMILES CC(C)c1ccc(Cn2cc(nn2)-c2ccc(O)c(O)c2)cc1
Show InChI InChI=1S/C18H19N3O2/c1-12(2)14-5-3-13(4-6-14)10-21-11-16(19-20-21)15-7-8-17(22)18(23)9-15/h3-9,11-12,22-23H,10H2,1-2H3
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n/an/an/a 4.60E+4n/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health

Curated by ChEMBL


Assay Description
Binding affinity to ERRgamma (unknown origin) at 20 degC by isothermal titration calorimetry


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22431
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(m...)
Show SMILES CNCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H34N2O2/c1-29-19-7-10-27(22-8-5-4-6-9-22)28(23-11-15-25(31)16-12-23)24-13-17-26(18-14-24)32-21-20-30(2)3/h4-6,8-9,11-18,29,31H,7,10,19-21H2,1-3H3/b28-27-
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n/an/an/an/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM22432
PNG
(4-[(1Z)-5-(dimethylamino)-1-{4-[2-(dimethylamino)e...)
Show SMILES CN(C)CCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C29H36N2O2/c1-30(2)20-8-11-28(23-9-6-5-7-10-23)29(24-12-16-26(32)17-13-24)25-14-18-27(19-15-25)33-22-21-31(3)4/h5-7,9-10,12-19,32H,8,11,20-22H2,1-4H3/b29-28-
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n/an/an/an/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Citation and Details
More data for this
Ligand-Target Pair