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Compile Data Set for Download or QSAR

Found 31 hits of ph data with Target = 'Estrogen-Related Receptor, gamma'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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PubMed
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
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...


J Med Chem 48: 3107-9 (2005)


Article DOI: 10.1021/jm050161j
BindingDB Entry DOI: 10.7270/Q2S46Q77
More data for this
Ligand-Target Pair
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)
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)
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)
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)
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)
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)
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...


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
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...


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
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...


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
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...


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
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)
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)
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)
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)
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)
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)
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)
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)