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Compile Data Set for Download or QSAR

Found 129 hits Enz. Inhib. hit(s) with all data for entry = 50012259   
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))
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 13n/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
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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n/an/a 20n/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))
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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n/an/a 21n/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
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))
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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n/an/a 35n/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))
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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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))
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))
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))
BDBM50555935
PNG
(CHEMBL4740982)
Show SMILES Cl.Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)\c1ccc(cc1)C1CNC1
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n/an/a 61n/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))
BDBM50555954
PNG
(CHEMBL4746975)
Show SMILES Cl.CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccc(F)cc1)\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))
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


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))
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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n/an/a 78n/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))
BDBM50555954
PNG
(CHEMBL4746975)
Show SMILES Cl.CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccc(F)cc1)\c1ccc(O)cc1
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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
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
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))
BDBM485065
PNG
(US10934303, Cmpd No. 22g | US10934303, Example 58 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26/h3-5,7-8,10-17,23,25,33-34H,6,9,18-22H2,1-2H3/b31-30+
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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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485071
PNG
(US10934303, Cmpd No. 22t | US10934303, Example 71 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-20-4-7-29(23-5-2-1-3-6-23)30(25-12-16-28(33)17-13-25)24-10-8-22(9-11-24)26-18-19-31(21-26)27-14-15-27/h1-3,5-6,8-13,16-17,26-27,32-33H,4,7,14-15,18-21H2/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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485071
PNG
(US10934303, Cmpd No. 22t | US10934303, Example 71 ...)
Show SMILES OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(C1)C1CC1)c1ccccc1
Show InChI InChI=1S/C30H33NO2/c32-20-4-7-29(23-5-2-1-3-6-23)30(25-12-16-28(33)17-13-25)24-10-8-22(9-11-24)26-18-19-31(21-26)27-14-15-27/h1-3,5-6,8-13,16-17,26-27,32-33H,4,7,14-15,18-21H2/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
Estrogen-related receptor gamma


(Homo sapiens (Human))
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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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))
BDBM50555927
PNG
(CHEMBL4747711)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
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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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM485065
PNG
(US10934303, Cmpd No. 22g | US10934303, Example 58 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-20-18-25(19-21-32)24-10-12-27(13-11-24)31(28-14-16-29(34)17-15-28)30(9-6-22-33)26-7-4-3-5-8-26/h3-5,7-8,10-17,23,25,33-34H,6,9,18-22H2,1-2H3/b31-30+
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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))
BDBM50555940
PNG
(CHEMBL4743534)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCNCC1)c1ccccc1
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n/an/a 142n/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
Estrogen-related receptor gamma


(Homo sapiens (Human))
BDBM50555939
PNG
(CHEMBL4751472)
Show SMILES Cl.CC(C)N1CCC(C1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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n/an/a 154n/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))
BDBM50555949
PNG
(CHEMBL4795846)
Show SMILES Cl.Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)\c1ccc(cc1)C1CCN(CC1)C1CC1
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n/an/a 165n/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))
BDBM50555933
PNG
(CHEMBL4781320)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CN(C1)C1CC1)c1ccccc1
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n/an/a 170n/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))
BDBM50555938
PNG
(CHEMBL4751889)
Show SMILES Cl.OCCC\C(=C(\c1ccc(cc1)C1CCN(C1)C1CC1)c1cccc(O)c1)c1ccccc1
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n/an/a 234n/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))
BDBM50555953
PNG
(CHEMBL4751850)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1=CCN(CC1)C1CC1)c1ccccc1 |t:21|
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n/an/a 289n/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))
BDBM50555957
PNG
(CHEMBL4741468)
Show SMILES Cl.Nc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)C1CCN(CC1)C1CC1
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n/an/a 349n/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 receptor


(Homo sapiens (Human))
BDBM50555935
PNG
(CHEMBL4740982)
Show SMILES Cl.Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)\c1ccc(cc1)C1CNC1
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n/an/a 360n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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))
BDBM485068
PNG
(US10934303, Cmpd No. 22m | US10934303, Example 64 ...)
Show SMILES CC(C)N1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
Show InChI InChI=1S/C31H37NO2/c1-23(2)32-19-17-25(18-20-32)24-13-15-27(16-14-24)31(28-10-6-11-29(34)22-28)30(12-7-21-33)26-8-4-3-5-9-26/h3-6,8-11,13-16,22-23,25,33-34H,7,12,17-21H2,1-2H3/b31-30+
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n/an/a 415n/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))
BDBM50555929
PNG
(CHEMBL4783853)
Show SMILES Cl.Cc1ccc(cc1)C(=C(/CCCO)c1ccccc1)\c1ccc(cc1)C1CNC1
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n/an/a 421n/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))
BDBM50555942
PNG
(CHEMBL4744855)
Show SMILES Cl.CN1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
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n/an/a 465n/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))
BDBM50555943
PNG
(CHEMBL4746037)
Show SMILES Cl.CCN1CCC(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
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n/an/a 479n/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))
BDBM50555928
PNG
(CHEMBL4782733)
Show SMILES Cl.OCCC\C(=C(/c1ccc(Br)cc1)c1ccc(cc1)C1CNC1)c1ccccc1
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n/an/a 492n/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))
BDBM50555932
PNG
(CHEMBL4800699)
Show SMILES Cl.CC(C)N1CC(C1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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n/an/a 531n/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))
BDBM50555944
PNG
(CHEMBL4750286)
Show SMILES Cl.OCCC\C(=C(\c1ccc(cc1)C1CCN(CC1)C1CC1)c1cccc(O)c1)c1ccccc1
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n/an/a 533n/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))
BDBM50555937
PNG
(CHEMBL4787886)
Show SMILES Cl.CC(C)N1CCC(C1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1cccc(O)c1
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n/an/a 559n/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))
BDBM50555951
PNG
(CHEMBL4749592)
Show SMILES Cl.OCCC\C(=C(\c1ccc(cc1)C1=CCN(CC1)C1CC1)c1cccc(O)c1)c1ccccc1 |t:13|
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n/an/a 638n/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
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50555949
PNG
(CHEMBL4795846)
Show SMILES Cl.Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)\c1ccc(cc1)C1CCN(CC1)C1CC1
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n/an/a 774n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRbeta (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))
BDBM50555930
PNG
(CHEMBL4761513)
Show SMILES Cl.CN1CC(C1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
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n/an/a 912n/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 receptor


(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 992n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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))
BDBM50555934
PNG
(CHEMBL4746703)
Show SMILES Cl.CC(C)N1CC(C1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(C)cc1
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n/an/a 1.18E+3n/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
Steroid hormone receptor ERR2


(Homo sapiens (Human))
BDBM50555935
PNG
(CHEMBL4740982)
Show SMILES Cl.Oc1ccc(cc1)C(=C(/CCCF)c1ccccc1)\c1ccc(cc1)C1CNC1
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n/an/a 1.30E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRbeta (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 receptor


(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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n/an/a 1.37E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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 receptor


(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 1.38E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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))
BDBM50555955
PNG
(CHEMBL4758091)
Show SMILES Cl.OCCC\C(=C(/c1ccc(O)cc1)c1ccc(cc1)C1CCN(CC1)C1CC1)c1ccc(F)cc1
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n/an/a 1.44E+3n/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
Steroid hormone receptor ERR2


(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 1.67E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERRbeta (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))
BDBM50555948
PNG
(CHEMBL4760575)
Show SMILES Cl.OCCC\C(=C(/c1ccccc1)c1ccc(cc1)C1CCN(CC1)C1CC1)c1ccccc1
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n/an/a 1.90E+3n/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 receptor


(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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n/an/a 1.94E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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 receptor


(Homo sapiens (Human))
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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Article
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n/an/a 2.00E+3n/an/an/an/an/an/a


TBA

Assay Description
Binding affinity to ERalpha (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
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