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Compile Data Set for Download or QSAR

Found 538 hits with Last Name = 'jeon' and Initial = 'yh'   
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 (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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n/an/a 6n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50555952
PNG
(CHEMBL4741828)
Show SMILES Cl.CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |c:6|
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TBA

Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530061
PNG
(CHEMBL4579002)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530064
PNG
(CHEMBL4437929)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C31H38N2O/c1-24(2)32-19-21-33(22-20-32)29-17-15-28(16-18-29)31(27-13-11-25(3)12-14-27)30(10-7-23-34)26-8-5-4-6-9-26/h4-6,8-9,11-18,24,34H,7,10,19-23H2,1-3H3/b31-30-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530051
PNG
(CHEMBL4580171)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530061
PNG
(CHEMBL4579002)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530051
PNG
(CHEMBL4580171)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530060
PNG
(CHEMBL4451327)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
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 ERalpha (unknown origin) 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 (Human))
BDBM485060
PNG
(US10934303, Cmpd No. 18k | US10934303, Example 30 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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TBA

Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
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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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 (Human))
BDBM50530060
PNG
(CHEMBL4451327)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inverse agonist activity at CMX-gal4-fused ERRgamma (unknown origin) transfected in human AD293 cells co-expressing CMV-beta galactosidase assessed a...


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485047
PNG
(US10934303, Cmpd No. 6g | US10934303, Example 10 |...)
Show SMILES CN1CCCC1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H35NO3/c1-31-20-5-9-26(31)19-22-34-28-17-13-25(14-18-28)30(24-11-15-27(33)16-12-24)29(10-6-21-32)23-7-3-2-4-8-23/h2-4,7-8,11-18,26,32-33H,5-6,9-10,19-22H2,1H3/b30-29-
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TBA

Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23X8B8M
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530055
PNG
(CHEMBL4541589)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530055
PNG
(CHEMBL4541589)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(Br)cc1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-18-20-33(21-19-32)28-16-12-26(13-17-28)30(25-10-14-27(31)15-11-25)29(9-6-22-34)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,34H,6,9,18-22H2,1-2H3/b30-29-
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n/an/a 21n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50555956
PNG
(CHEMBL4746616)
Show SMILES Cl.CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccc(F)cc1F)\c1ccc(O)cc1
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TBA

Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530051
PNG
(CHEMBL4580171)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530051
PNG
(CHEMBL4580171)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C30H36N2O/c1-3-31-19-21-32(22-20-31)28-17-15-27(16-18-28)30(26-13-11-24(2)12-14-26)29(10-7-23-33)25-8-5-4-6-9-25/h4-6,8-9,11-18,33H,3,7,10,19-23H2,1-2H3/b30-29-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530066
PNG
(CHEMBL4472718)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C29H34N2O/c1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31/h3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3/b29-28-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530066
PNG
(CHEMBL4472718)
Show SMILES Cl.Cl.CN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
Show InChI InChI=1S/C29H34N2O/c1-23-10-12-25(13-11-23)29(28(9-6-22-32)24-7-4-3-5-8-24)26-14-16-27(17-15-26)31-20-18-30(2)19-21-31/h3-5,7-8,10-17,32H,6,9,18-22H2,1-2H3/b29-28-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50550304
PNG
(CHEMBL4744529)
Show SMILES Cl.Cl.CN1CCC[C@@H]1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r|
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TBA

Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23X8B8M
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530062
PNG
(CHEMBL4443694)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530062
PNG
(CHEMBL4443694)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C28H32N2O/c1-22-9-11-24(12-10-22)28(27(8-5-21-31)23-6-3-2-4-7-23)25-13-15-26(16-14-25)30-19-17-29-18-20-30/h2-4,6-7,9-16,29,31H,5,8,17-21H2,1H3/b28-27-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530075
PNG
(CHEMBL4585424)
Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H29BrN2O/c28-24-12-8-22(9-13-24)27(26(7-4-20-31)21-5-2-1-3-6-21)23-10-14-25(15-11-23)30-18-16-29-17-19-30/h1-3,5-6,8-15,29,31H,4,7,16-20H2/b27-26-
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n/an/a 28n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530075
PNG
(CHEMBL4585424)
Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C27H29BrN2O/c28-24-12-8-22(9-13-24)27(26(7-4-20-31)21-5-2-1-3-6-21)23-10-14-25(15-11-23)30-18-16-29-17-19-30/h1-3,5-6,8-15,29,31H,4,7,16-20H2/b27-26-
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50550294
PNG
(CHEMBL4791981)
Show SMILES Cl.CN1CCC[C@H]1COc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r|
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TBA

Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23X8B8M
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50555950
PNG
(CHEMBL4793030)
Show SMILES Cl.CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1 |c:6|
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TBA

Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530061
PNG
(CHEMBL4579002)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530061
PNG
(CHEMBL4579002)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(Br)c1
Show InChI InChI=1S/C30H35BrN2O/c1-23(2)32-17-19-33(20-18-32)28-15-13-25(14-16-28)30(26-10-6-11-27(31)22-26)29(12-7-21-34)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50550305
PNG
(CHEMBL4792390)
Show SMILES Cl.CN1CCC[C@H]1CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |r|
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TBA

Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23X8B8M
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485060
PNG
(US10934303, Cmpd No. 18k | US10934303, Example 30 ...)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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TBA

Assay Description
Binding affinity to ERRgamma (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530060
PNG
(CHEMBL4451327)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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n/an/a 35n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530060
PNG
(CHEMBL4451327)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-17-19-32(20-18-31)27-15-13-25(14-16-27)30(26-10-6-11-28(34)22-26)29(12-7-21-33)24-8-4-3-5-9-24/h3-6,8-11,13-16,22-23,33-34H,7,12,17-21H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530063
PNG
(CHEMBL4436391)
Show SMILES Cl.Cl.CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23(2)31-18-20-32(21-19-31)27-14-10-25(11-15-27)30(26-12-16-28(34)17-13-26)29(9-6-22-33)24-7-4-3-5-8-24/h3-5,7-8,10-17,23,33-34H,6,9,18-22H2,1-2H3/b30-29+
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n/an/a 40n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485066
PNG
(US10934303, Cmpd No. 22i | US10934303, Example 60 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CC1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+
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n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Inverse agonist activity at ERRgamma (unknown origin) by luciferase reporter gene assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
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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Article
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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 (Human))
BDBM50555940
PNG
(CHEMBL4743534)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
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n/an/a 48n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRgamma (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50555952
PNG
(CHEMBL4741828)
Show SMILES Cl.CC(C)N1CCC(=CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1 |c:6|
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n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRgamma (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530054
PNG
(CHEMBL4563806)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+
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n/an/a 50n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530054
PNG
(CHEMBL4563806)
Show SMILES Cl.Cl.CCN1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O2/c1-2-30-18-20-31(21-19-30)26-14-10-24(11-15-26)29(25-12-16-27(33)17-13-25)28(9-6-22-32)23-7-4-3-5-8-23/h3-5,7-8,10-17,32-33H,2,6,9,18-22H2,1H3/b29-28+
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n/an/a 50n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485074
PNG
(US10934303, Cmpd No. 38b | US10934303, Example 107...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN2CCC3(CCCC3)C2)cc1)c1ccccc1
Show InChI InChI=1S/C33H39NO3/c35-23-6-9-31(26-7-2-1-3-8-26)32(27-10-14-29(36)15-11-27)28-12-16-30(17-13-28)37-24-22-34-21-20-33(25-34)18-4-5-19-33/h1-3,7-8,10-17,35-36H,4-6,9,18-25H2/b32-31-
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TBA

Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein PGC1alpha as coactivator incubated for 1 hr by LanthaScreen TR-FRET co...


Citation and Details

BindingDB Entry DOI: 10.7270/Q23X8B8M
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530073
PNG
(CHEMBL4441903)
Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 53n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50530073
PNG
(CHEMBL4441903)
Show SMILES Cl.Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)N1CCN(CC1)C1CCC1)c1ccccc1
Show InChI InChI=1S/C31H36N2O2/c34-23-5-10-30(24-6-2-1-3-7-24)31(26-13-17-29(35)18-14-26)25-11-15-28(16-12-25)33-21-19-32(20-22-33)27-8-4-9-27/h1-3,6-7,11-18,27,34-35H,4-5,8-10,19-23H2/b31-30+
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n/an/a 53n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to GST-tagged ERRgamma LBD (unknown origin) using fluorescein-conjugated coactivator PGC-1alpha incubated for 1 hr by TR-FRET assay


J Med Chem 62: 1837-1858 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01296
BindingDB Entry DOI: 10.7270/Q2BK1GVZ
More data for this
Ligand-Target Pair
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485066
PNG
(US10934303, Cmpd No. 22i | US10934303, Example 60 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CC1)c1ccccc1
Show InChI InChI=1S/C31H35NO2/c33-22-4-7-30(25-5-2-1-3-6-25)31(27-12-16-29(34)17-13-27)26-10-8-23(9-11-26)24-18-20-32(21-19-24)28-14-15-28/h1-3,5-6,8-13,16-17,24,28,33-34H,4,7,14-15,18-22H2/b31-30+
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n/an/a 56n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRgamma (unknown origin) by TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112501
BindingDB Entry DOI: 10.7270/Q2ZK5MB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen-related receptor gamma


(Homo sapiens (Human))
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
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