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Compile Data Set for Download or QSAR

Found 72 hits Enz. Inhib. hit(s) with Target = 'Estrogen-related receptor gamma' AND taxid = 9606   
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
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
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 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 (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
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/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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
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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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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM29608
PNG
(Bisphenol A (BPA) | Diphenylolpropane | US9688816,...)
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 (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-Related Receptor, gamma


(Homo sapiens)
BDBM29609
PNG
(4-alpha-Cumylphenol | 4-cumylphenol | US9688816, B)
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 (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/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;1H/b27-26-;
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n/an/a 20n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193253
PNG
(CHEMBL3961676)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/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;1H/b27-26-;
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n/an/a 48n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 58n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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 77n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193252
PNG
(CHEMBL3957546)
Show SMILES Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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n/an/a 79n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193250
PNG
(CHEMBL3897416)
Show SMILES Cl.CN(C)CCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-7-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-20-30)22-8-4-3-5-9-22;/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3;1H/b28-27-;
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n/an/a 90n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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 110n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 111n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 117n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193252
PNG
(CHEMBL3957546)
Show SMILES Cl.CCN(CC)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H35NO3.ClH/c1-3-30(4-2)20-22-33-27-18-14-25(15-19-27)29(24-12-16-26(32)17-13-24)28(11-8-21-31)23-9-6-5-7-10-23;/h5-7,9-10,12-19,31-32H,3-4,8,11,20-22H2,1-2H3;1H/b29-28-;
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n/an/a 180n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a 187n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193264
PNG
(CHEMBL3968559)
Show SMILES Cl.CNCCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3.ClH/c1-27-17-19-30-24-15-11-22(12-16-24)26(21-9-13-23(29)14-10-21)25(8-5-18-28)20-6-3-2-4-7-20;/h2-4,6-7,9-16,27-29H,5,8,17-19H2,1H3;1H/b26-25-;
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n/an/a 190n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a 270n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193262
PNG
(CHEMBL3956562)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(31)13-9-21)25(16-17-26(28)29)20-6-4-3-5-7-20;/h3-15,26,31H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 480n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193263
PNG
(CHEMBL3891326)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCF)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrFNO.ClH/c1-30(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-18-29)21-7-4-3-5-8-21;/h3-5,7-8,10-17H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 480n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193273
PNG
(CHEMBL3982516)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccc(F)c1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H32FNO2.ClH/c1-21-9-11-22(12-10-21)28(23-13-15-26(16-14-23)32-19-17-30(2)3)27(8-5-18-31)24-6-4-7-25(29)20-24;/h4,6-7,9-16,20,31H,5,8,17-19H2,1-3H3;1H/b28-27-;
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n/an/a 500n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193266
PNG
(CHEMBL3940124)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Cl)cc1
Show InChI InChI=1S/C27H30ClNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 520n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193255
PNG
(CHEMBL3973526)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C28H33NO2.ClH/c1-22-11-13-24(14-12-22)28(27(10-7-20-30)23-8-5-4-6-9-23)25-15-17-26(18-16-25)31-21-19-29(2)3;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a 669n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193251
PNG
(CHEMBL3978054)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H30BrNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 719n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at ERRgamma (unknown origin) expressed in human AD293 cells after 24 hrs by beta-galactosidase/luciferase reporter gene assa...


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193269
PNG
(CHEMBL3965511)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCC(F)F)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H28BrF2NO.ClH/c1-31(2)18-19-32-24-14-10-22(11-15-24)27(21-8-12-23(28)13-9-21)25(16-17-26(29)30)20-6-4-3-5-7-20;/h3-15,26H,16-19H2,1-2H3;1H/b27-25-;
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n/an/a 890n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193256
PNG
(CHEMBL3893563)
Show SMILES Cl.COc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(OCCN(C)C)cc1
Show InChI InChI=1S/C28H33NO3.ClH/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31-3)16-12-23)27(10-7-20-30)22-8-5-4-6-9-22;/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3;1H/b28-27-;
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n/an/a 1.00E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193258
PNG
(CHEMBL3953814)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccc(F)c1)\c1ccc(Br)cc1
Show InChI InChI=1S/C27H29BrFNO2.ClH/c1-30(2)16-18-32-25-14-10-21(11-15-25)27(20-8-12-23(28)13-9-20)26(7-4-17-31)22-5-3-6-24(29)19-22;/h3,5-6,8-15,19,31H,4,7,16-18H2,1-2H3;1H/b27-26-;
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n/an/a 1.10E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193270
PNG
(CHEMBL3904163)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C28H30F3NO2.ClH/c1-32(2)18-20-34-25-16-12-23(13-17-25)27(22-10-14-24(15-11-22)28(29,30)31)26(9-6-19-33)21-7-4-3-5-8-21;/h3-5,7-8,10-17,33H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 1.30E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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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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...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
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


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


Article DOI: 10.1016/j.bmcl.2014.09.053
BindingDB Entry DOI: 10.7270/Q2S46TKZ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193249
PNG
(CHEMBL3986248)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccccc1
Show InChI InChI=1S/C27H31NO2.ClH/c1-28(2)19-21-30-25-17-15-24(16-18-25)27(23-12-7-4-8-13-23)26(14-9-20-29)22-10-5-3-6-11-22;/h3-8,10-13,15-18,29H,9,14,19-21H2,1-2H3;1H/b27-26-;
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n/an/a 1.50E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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


J Med Chem 54: 788-808 (2012)


Article DOI: 10.1021/jm101063h
BindingDB Entry DOI: 10.7270/Q208668Q
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193265
PNG
(CHEMBL3969681)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(F)cc1
Show InChI InChI=1S/C27H30FNO2.ClH/c1-29(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(28)15-11-22)26(9-6-19-30)21-7-4-3-5-8-21;/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3;1H/b27-26-;
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n/an/a 3.90E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193275
PNG
(CHEMBL3952876)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccc2cnn(C)c2c1)\c1ccc(Br)cc1
Show InChI InChI=1S/C29H32BrN3O2.ClH/c1-32(2)16-18-35-26-14-10-22(11-15-26)29(21-8-12-25(30)13-9-21)27(5-4-17-34)23-6-7-24-20-31-33(3)28(24)19-23;/h6-15,19-20,34H,4-5,16-18H2,1-3H3;1H/b29-27-;
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n/an/a 5.30E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193261
PNG
(CHEMBL3908431)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccc2cnn(C)c2c1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H35N3O2.ClH/c1-22-7-9-23(10-8-22)30(24-13-15-27(16-14-24)35-19-17-32(2)3)28(6-5-18-34)25-11-12-26-21-31-33(4)29(26)20-25;/h7-16,20-21,34H,5-6,17-19H2,1-4H3;1H/b30-28-;
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n/an/a 5.60E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193276
PNG
(CHEMBL3916962)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(F)cc1F
Show InChI InChI=1S/C27H29F2NO2.ClH/c1-30(2)16-18-32-23-13-10-21(11-14-23)27(25-15-12-22(28)19-26(25)29)24(9-6-17-31)20-7-4-3-5-8-20;/h3-5,7-8,10-15,19,31H,6,9,16-18H2,1-2H3;1H/b27-24+;
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n/an/a 6.70E+3n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
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 (...


Biochem Biophys Res Commun 373: 408-13 (2008)


Article DOI: 10.1016/j.bbrc.2008.06.050
BindingDB Entry DOI: 10.7270/Q22R3Q0N
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193274
PNG
(CHEMBL3916169)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccnc1)\c1ccccc1
Show InChI InChI=1S/C26H30N2O2.ClH/c1-28(2)17-19-30-24-14-12-22(13-15-24)26(21-8-4-3-5-9-21)25(11-7-18-29)23-10-6-16-27-20-23;/h3-6,8-10,12-16,20,29H,7,11,17-19H2,1-2H3;1H/b26-25-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193272
PNG
(CHEMBL3981543)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccncc1
Show InChI InChI=1S/C26H30N2O2.ClH/c1-28(2)18-20-30-24-12-10-22(11-13-24)26(23-14-16-27-17-15-23)25(9-6-19-29)21-7-4-3-5-8-21;/h3-5,7-8,10-17,29H,6,9,18-20H2,1-2H3;1H/b26-25+;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193271
PNG
(CHEMBL3902534)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccnc1
Show InChI InChI=1S/C26H30N2O2.ClH/c1-28(2)17-19-30-24-14-12-22(13-15-24)26(23-10-6-16-27-20-23)25(11-7-18-29)21-8-4-3-5-9-21;/h3-6,8-10,12-16,20,29H,7,11,17-19H2,1-2H3;1H/b26-25+;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193268
PNG
(CHEMBL3944236)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccnc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C26H29BrN2O2.ClH/c1-29(2)16-18-31-24-13-9-21(10-14-24)26(20-7-11-23(27)12-8-20)25(6-4-17-30)22-5-3-15-28-19-22;/h3,5,7-15,19,30H,4,6,16-18H2,1-2H3;1H/b26-25-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens)
BDBM50193267
PNG
(CHEMBL3919418)
Show SMILES Cl.CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1cccnc1)\c1ccc(C)cc1
Show InChI InChI=1S/C27H32N2O2.ClH/c1-21-8-10-22(11-9-21)27(26(7-5-18-30)24-6-4-16-28-20-24)23-12-14-25(15-13-23)31-19-17-29(2)3;/h4,6,8-16,20,30H,5,7,17-19H2,1-3H3;1H/b27-26-;
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n/an/a>1.00E+4n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to GST-tagged human ERRgamma LBD after 1 hr by TR-FRET assay


Eur J Med Chem 120: 338-52 (2016)


Article DOI: 10.1016/j.ejmech.2016.04.076
BindingDB Entry DOI: 10.7270/Q2TH8PN2
More data for this
Ligand-Target Pair
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