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Compile Data Set for Download or QSAR

Found 180 hits of ic50 data for polymerid = 50001341,50007165   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 3.20n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 8.70n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233271
PNG
(CHEMBL4071073)
Show SMILES CC(C)C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OC(C)=O)cc1)\c1ccccc1
Show InChI InChI=1S/C29H33NO3/c1-21(2)28(23-9-7-6-8-10-23)29(25-13-17-27(18-14-25)33-22(3)31)24-11-15-26(16-12-24)32-20-19-30(4)5/h6-18,21H,19-20H2,1-5H3/b29-28+
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427842
PNG
(CHEMBL2326072)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-n1cccc1)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C34H39NO2/c1-34-19-18-30-29-15-14-28(36)23-26(29)22-25(33(30)31(34)16-17-32(34)37)9-5-3-2-4-8-24-10-12-27(13-11-24)35-20-6-7-21-35/h6-7,10-15,20-21,23,25,30-33,36-37H,2-3,5,9,16-19,22H2,1H3/t25-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427834
PNG
(CHEMBL2326068)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(CC2COc4ccccc4O2)nn1)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C33H41N3O4/c1-33-15-14-27-26-11-10-24(37)17-22(26)16-21(32(27)28(33)12-13-31(33)38)6-2-3-7-23-18-36(35-34-23)19-25-20-39-29-8-4-5-9-30(29)40-25/h4-5,8-11,17-18,21,25,27-28,31-32,37-38H,2-3,6-7,12-16,19-20H2,1H3/t21-,25?,27-,28+,31+,32-,33+/m1/s1
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n/an/a 41n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233269
PNG
(CHEMBL4100590)
Show SMILES COC(=O)C(C)C\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C29H33NO4/c1-21(29(32)33-4)20-27(22-8-6-5-7-9-22)28(23-10-14-25(31)15-11-23)24-12-16-26(17-13-24)34-19-18-30(2)3/h5-17,21,31H,18-20H2,1-4H3/b28-27-
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n/an/a 50n/an/an/an/an/an/a



The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212173
PNG
(7-bromo-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES Oc1ccc-2c(OCc3c(Br)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C16H10BrNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,19-20H,7H2
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n/an/a 56n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM485072
PNG
(US10934303, Cmpd No. 27a | US10934303, Example 87)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NCS(C)(=O)=O)cc1
Show InChI InChI=1S/C32H41N3O3S/c1-25(2)34-19-21-35(22-20-34)30-17-13-28(14-18-30)32(31(10-7-23-36)26-8-5-4-6-9-26)27-11-15-29(16-12-27)33-24-39(3,37)38/h4-6,8-9,11-18,25,33,36H,7,10,19-24H2,1-3H3/b32-31-
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n/an/a 70n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...

US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM544469
PNG
(87 | US11285226, Compound 27a)
Show SMILES CC(C)N1CCN(CC1)c1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(NS(C)(=O)=O)cc1
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n/an/a 70n/an/an/an/an/an/a


TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212166
PNG
(7-chloro-6H-chromeno[4,3-b]quinoline-3,9-diol | CH...)
Show SMILES Oc1ccc-2c(OCc3c(Cl)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C16H10ClNO3/c17-15-11-5-8(19)2-4-13(11)18-16-10-3-1-9(20)6-14(10)21-7-12(15)16/h1-6,19-20H,7H2
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n/an/a 88n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212172
PNG
(3,9-dihydroxy-6H-chromeno[4,3-b]quinoline-7-carbon...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#N)c1
Show InChI InChI=1S/C17H10N2O3/c18-7-13-12-5-9(20)2-4-15(12)19-17-11-3-1-10(21)6-16(11)22-8-14(13)17/h1-6,20-21H,8H2
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n/an/a 98n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427836
PNG
(CHEMBL2326070)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCc1cn(nn1)-c1cc2ccc(O)cc2oc1=O)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C33H37N3O5/c1-33-13-12-26-25-9-8-23(37)15-21(25)14-20(31(26)27(33)10-11-30(33)39)4-2-3-5-22-18-36(35-34-22)28-16-19-6-7-24(38)17-29(19)41-32(28)40/h6-9,15-18,20,26-27,30-31,37-39H,2-5,10-14H2,1H3/t20-,26-,27+,30+,31-,33+/m1/s1
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n/an/a 112n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427841
PNG
(CHEMBL2326073)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc2ccccc2c1)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C34H38O2/c1-34-19-18-30-29-15-14-28(35)22-27(29)21-26(33(30)31(34)16-17-32(34)36)11-5-3-2-4-8-23-12-13-24-9-6-7-10-25(24)20-23/h6-7,9-10,12-15,20,22,26,30-33,35-36H,2-3,5,11,16-19,21H2,1H3/t26-,30-,31+,32+,33-,34+/m1/s1
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n/an/a 121n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427835
PNG
(CHEMBL2326069)
Show SMILES CCOC(=O)C(Cc1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12)C(=O)OCC |r|
Show InChI InChI=1S/C38H48O6/c1-4-43-36(41)32(37(42)44-5-2)22-26-14-12-25(13-15-26)10-8-6-7-9-11-27-23-28-24-29(39)16-17-30(28)31-20-21-38(3)33(35(27)31)18-19-34(38)40/h12-17,24,27,31-35,39-40H,4-7,9,11,18-23H2,1-3H3/t27-,31-,33+,34+,35-,38+/m1/s1
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n/an/a 151n/an/an/an/an/an/a



University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427838
PNG
(CHEMBL2326076)
Show SMILES CCOC(=O)CC(=O)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r|
Show InChI InChI=1S/C35H42O5/c1-3-40-33(39)22-31(37)24-12-10-23(11-13-24)8-6-4-5-7-9-25-20-26-21-27(36)14-15-28(26)29-18-19-35(2)30(34(25)29)16-17-32(35)38/h10-15,21,25,29-30,32,34,36,38H,3-5,7,9,16-20,22H2,1-2H3/t25-,29-,30+,32+,34-,35+/m1/s1
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University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233266
PNG
(CHEMBL4092854)
Show SMILES CC(C)C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)\c1ccccc1
Show InChI InChI=1S/C27H31NO2/c1-20(2)26(21-8-6-5-7-9-21)27(22-10-14-24(29)15-11-22)23-12-16-25(17-13-23)30-19-18-28(3)4/h5-17,20,29H,18-19H2,1-4H3/b27-26-
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50171724
PNG
(4-Bromo-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-bro...)
Show SMILES Oc1ccc(cc1)-c1cc(Br)c2cc(O)ccc2n1
Show InChI InChI=1S/C15H10BrNO2/c16-13-8-15(9-1-3-10(18)4-2-9)17-14-6-5-11(19)7-12(13)14/h1-8,18-19H
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n/an/a 212n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50171726
PNG
(4-Chloro-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-ch...)
Show SMILES Oc1ccc(cc1)-c1cc(Cl)c2cc(O)ccc2n1
Show InChI InChI=1S/C15H10ClNO2/c16-13-8-15(9-1-3-10(18)4-2-9)17-14-6-5-11(19)7-12(13)14/h1-8,18-19H
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233264
PNG
(CHEMBL4085105)
Show SMILES [#6]-[#8]-[#6](=O)-[#6](-[#6])-[#6]\[#6](=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C25H24O4/c1-17(25(28)29-2)16-23(18-6-4-3-5-7-18)24(19-8-12-21(26)13-9-19)20-10-14-22(27)15-11-20/h3-15,17,26-27H,16H2,1-2H3
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427840
PNG
(CHEMBL2326074)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(cc1)-c1ccno1)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C33H37NO3/c1-33-18-16-28-27-13-12-26(35)21-25(27)20-24(32(28)29(33)14-15-31(33)36)7-5-3-2-4-6-22-8-10-23(11-9-22)30-17-19-34-37-30/h8-13,17,19,21,24,28-29,31-32,35-36H,2-3,5,7,14-16,18,20H2,1H3/t24-,28-,29+,31+,32-,33+/m1/s1
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University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233267
PNG
(CHEMBL4084142)
Show SMILES COC(=O)CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H31NO4/c1-29(2)19-20-33-25-15-11-23(12-16-25)28(22-9-13-24(30)14-10-22)26(17-18-27(31)32-3)21-7-5-4-6-8-21/h4-16,30H,17-20H2,1-3H3/b28-26-
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427839
PNG
(CHEMBL2326075)
Show SMILES CC(C)(C)OC(=O)N1CCN(CC1)c1ccc(cc1)C#CCCCC[C@@H]1Cc2cc(O)ccc2[C@H]2CC[C@]3(C)[C@@H](O)CC[C@H]3[C@H]12 |r|
Show InChI InChI=1S/C39H52N2O4/c1-38(2,3)45-37(44)41-23-21-40(22-24-41)30-13-11-27(12-14-30)9-7-5-6-8-10-28-25-29-26-31(42)15-16-32(29)33-19-20-39(4)34(36(28)33)17-18-35(39)43/h11-16,26,28,33-36,42-43H,5-6,8,10,17-25H2,1-4H3/t28-,33-,34+,35+,36-,39+/m1/s1
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University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50171712
PNG
(6-Hydroxy-2-(4-hydroxy-phenyl)-quinoline-4-carboni...)
Show SMILES Oc1ccc(cc1)-c1cc(C#N)c2cc(O)ccc2n1
Show InChI InChI=1S/C16H10N2O2/c17-9-11-7-16(10-1-3-12(19)4-2-10)18-15-6-5-13(20)8-14(11)15/h1-8,19-20H
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50171727
PNG
(2-(4-Hydroxy-phenyl)-4-vinyl-quinolin-6-ol | 2-(4-...)
Show SMILES Oc1ccc(cc1)-c1cc(C=C)c2cc(O)ccc2n1
Show InChI InChI=1S/C17H13NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h2-10,19-20H,1H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212165
PNG
(7-(3-chlorophenyl)-6H-chromeno[4,3-b]quinoline-3,9...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3-c2cccc(Cl)c2)c1
Show InChI InChI=1S/C22H14ClNO3/c23-13-3-1-2-12(8-13)21-17-9-14(25)5-7-19(17)24-22-16-6-4-15(26)10-20(16)27-11-18(21)22/h1-10,25-26H,11H2
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n/an/a 504n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212161
PNG
(7-vinyl-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES Oc1ccc-2c(OCc3c(C=C)c4cc(O)ccc4nc-23)c1
Show InChI InChI=1S/C18H13NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h2-8,20-21H,1,9H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212163
PNG
(7-(4-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,...)
Show SMILES COc1ccc(cc1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C23H17NO4/c1-27-16-6-2-13(3-7-16)22-18-10-14(25)5-9-20(18)24-23-17-8-4-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
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n/an/a 549n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233273
PNG
(CHEMBL4064664)
Show SMILES CC(CO)C\C(=C(\c1ccc(OCCN(C)C)cc1)c1ccc(OC(C)=O)cc1)c1ccccc1
Show InChI InChI=1S/C30H35NO4/c1-22(21-32)20-29(24-8-6-5-7-9-24)30(26-12-16-28(17-13-26)35-23(2)33)25-10-14-27(15-11-25)34-19-18-31(3)4/h5-17,22,32H,18-21H2,1-4H3/b30-29+
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50427837
PNG
(CHEMBL2326071)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCC#Cc1ccc(CN2CCCCC2)cc1)Cc1cc(O)ccc31 |r|
Show InChI InChI=1S/C36H47NO2/c1-36-20-19-32-31-16-15-30(38)24-29(31)23-28(35(32)33(36)17-18-34(36)39)10-6-3-2-5-9-26-11-13-27(14-12-26)25-37-21-7-4-8-22-37/h11-16,24,28,32-35,38-39H,2-4,6-8,10,17-23,25H2,1H3/t28-,32-,33+,34+,35-,36+/m1/s1
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University of Kansas Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]E2 from human recombinant ERbeta receptor after overnight incubation by liquid scintillation counting analysis

J Med Chem 56: 2779-90 (2013)


Article DOI: 10.1021/jm3013773
BindingDB Entry DOI: 10.7270/Q2CC121G
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233265
PNG
(CHEMBL4065193)
Show SMILES [#6]-[#8]-[#6](=O)-[#6]-[#6]\[#6](=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C24H22O4/c1-28-23(27)16-15-22(17-5-3-2-4-6-17)24(18-7-11-20(25)12-8-18)19-9-13-21(26)14-10-19/h2-14,25-26H,15-16H2,1H3
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212170
PNG
(7-ethynyl-6H-chromeno[4,3-b]quinoline-3,9-diol | C...)
Show SMILES Oc1ccc-2c(OCc3c-2nc2ccc(O)cc2c3C#C)c1
Show InChI InChI=1S/C18H11NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h1,3-8,20-21H,9H2
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50171723
PNG
(4-Ethyl-2-(4-hydroxy-phenyl)-quinolin-6-ol | 4-eth...)
Show SMILES CCc1cc(nc2ccc(O)cc12)-c1ccc(O)cc1
Show InChI InChI=1S/C17H15NO2/c1-2-11-9-17(12-3-5-13(19)6-4-12)18-16-8-7-14(20)10-15(11)16/h3-10,19-20H,2H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212162
PNG
(7-ethyl-6H-chromeno[4,3-b]quinoline-3,9-diol | CHE...)
Show SMILES CCc1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C18H15NO3/c1-2-12-14-7-10(20)4-6-16(14)19-18-13-5-3-11(21)8-17(13)22-9-15(12)18/h3-8,20-21H,2,9H2,1H3
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Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		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 650n/an/an/an/an/an/a



The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(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 722n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Inhibition of fluorescien-conjugated coactivator PGC1a binding to ERRbeta (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
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50233268
PNG
(CHEMBL4073790)
Show SMILES CC(C)C\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H33NO2/c1-21(2)20-27(22-8-6-5-7-9-22)28(23-10-14-25(30)15-11-23)24-12-16-26(17-13-24)31-19-18-29(3)4/h5-17,21,30H,18-20H2,1-4H3/b28-27-
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The Beckman Research Institute

Curated by ChEMBL


Assay Description
Inverse agonist activity at GAL4-DNA binding domain-fused human ERRbeta ligand binding domain expressed in African green monkey CV1 cells assessed as...

Bioorg Med Chem 25: 1585-1599 (2017)


Article DOI: 10.1016/j.bmc.2017.01.019
BindingDB Entry DOI: 10.7270/Q2DF6TFV
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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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
Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10)


(Homo sapiens (Human))		BDBM50212167
PNG
(7-(3-methoxyphenyl)-6H-chromeno[4,3-b]quinoline-3,...)
Show SMILES COc1cccc(c1)-c1c2COc3cc(O)ccc3-c2nc2ccc(O)cc12
Show InChI InChI=1S/C23H17NO4/c1-27-16-4-2-3-13(9-16)22-18-10-14(25)6-8-20(18)24-23-17-7-5-15(26)11-21(17)28-12-19(22)23/h2-11,25-26H,12H2,1H3
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n/an/a 820n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of human ERbeta

Bioorg Med Chem Lett 17: 4053-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.068
BindingDB Entry DOI: 10.7270/Q2V124HV
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES 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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n/an/a 861n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...

US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(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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n/an/a 861n/an/an/an/an/an/a



Daegu-Gyeongbuk Medical Innovation Foundation

Curated by ChEMBL


Assay Description
Binding affinity to ERRbeta (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
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM485053
PNG
(US10934303, Cmpd No. 18b | US10934303, Example 21 ...)
Show SMILES 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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TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(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 ERRbeta (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
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | Afimoxifene | TamoGel)
Show SMILES CCC(=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 886n/an/an/an/an/an/a



Janssen Research and Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant GST-tagged human ERRbeta LBD assessed as inhibition of fluorescein-labeled coactivator peptide recruitment preincu...

Eur J Med Chem 138: 830-853 (2017)


Article DOI: 10.1016/j.ejmech.2017.07.015
BindingDB Entry DOI: 10.7270/Q2W098F7
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM485062
PNG
(US10934303, Cmpd No. 20a | US10934303, Example 40 ...)
Show SMILES 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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TBA

Assay Description
In an ERR alpha binding assay, GST-bound ERR alpha LBD was used, and all experiments other than that was the same as the ERR gamma binding assay.In a...

Citation and Details

BindingDB Entry DOI: 10.7270/Q25D8W20
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(Homo sapiens (Human))		BDBM485062
PNG
(US10934303, Cmpd No. 20a | US10934303, Example 40 ...)
Show SMILES 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 980n/an/an/an/an/an/a



DAEGU-GYEONGBUK MEDICAL INNOVATION FOUNDATION; KYUNGPOOK NATIONAL UNIVERSITY HOSPITAL; KYUNGPOOK NATIONAL UNIVERSITY INDUSTRY-ACADEMIC COOPERATION FOUNDATION

US Patent


Assay Description
ERRα/ERRβ/ERα : In an ERR beta binding assay, GST-bound ERR alpha LBD was used so that a final concentration was 10 nM and a fluoresce...

US Patent US10934303 (2021)


BindingDB Entry DOI: 10.7270/Q2V40ZBT
More data for this
Ligand-Target Pair
Steroid hormone receptor ERR2


(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 ERRbeta (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
Steroid hormone receptor ERR2


(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 ERRbeta (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
Steroid hormone receptor ERR2


(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 ERRbeta (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
Steroid hormone receptor ERR2


(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 ERRbeta (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
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