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Compile Data Set for Download or QSAR

Found 749 hits of ec50 for UniProtKB: Q92731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM50471081
PNG
(CHEMBL1627420)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCCO)cc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1
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n/an/an/an/a 0.00400n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells


J Med Chem 39: 1917-23 (1996)


Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0100n/an/an/an/a



Bayer Corporation

Curated by ChEMBL


Assay Description
Percent agonistic activity for estrogen-induced pS2 expression in MCF-7 cells


Bioorg Med Chem Lett 13: 1919-22 (2003)


Article DOI: 10.1016/s0960-894x(03)00307-x
BindingDB Entry DOI: 10.7270/Q29K49MK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERbeta expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control


J Med Chem 55: 9607-18 (2012)


Article DOI: 10.1021/jm300860j
BindingDB Entry DOI: 10.7270/Q2R212H2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20625
PNG
(4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)
Show SMILES CC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
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n/an/a 9n/a 0.0200n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 45: 1399-401 (2002)


Article DOI: 10.1021/jm015577l
BindingDB Entry DOI: 10.7270/Q27M0665
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0200n/an/an/an/a



University of Richmond

Curated by ChEMBL


Assay Description
Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs by luciferase reporter gene assay


Bioorg Med Chem 27: 2075-2082 (2019)


Article DOI: 10.1016/j.bmc.2019.04.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0220n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell based ERE-driven luciferase reporter gene assay


Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0220n/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay


J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0300n/an/an/an/a



University of Richmond

Curated by ChEMBL


Assay Description
Activation of human ERbeta assessed as induction of transcriptional activation by luciferase reporter gene assay


Bioorg Med Chem 27: 2075-2082 (2019)


Article DOI: 10.1016/j.bmc.2019.04.003
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay


J Nat Prod 81: 966-975 (2018)


Article DOI: 10.1021/acs.jnatprod.7b01070
BindingDB Entry DOI: 10.7270/Q2DV1NKT
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0301n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Induction of pS2 Gene expression in human MCF-7 cells


J Med Chem 40: 3756-64 (1997)


Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0360n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay


Eur J Med Chem 54: 188-96 (2012)


Article DOI: 10.1016/j.ejmech.2012.04.041
BindingDB Entry DOI: 10.7270/Q2445NJ5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0390n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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 24n/a 0.0700n/an/a7.422



Novartis Pharmaceuticals



Assay Description
Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...


J Med Chem 45: 1399-401 (2002)


Article DOI: 10.1021/jm015577l
BindingDB Entry DOI: 10.7270/Q27M0665
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0850n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta expressed in HEK293 cells by luciferase reporter gene assay


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


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


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0980n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30...


J Med Chem 48: 5989-6003 (2005)


Article DOI: 10.1021/jm050226i
BindingDB Entry DOI: 10.7270/Q2B857P7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.0996n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells


J Med Chem 39: 1917-23 (1996)


Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.130n/an/an/an/a



Universita di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at full-length human estrogen receptor beta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luc...


J Med Chem 52: 858-67 (2009)


Article DOI: 10.1021/jm801458t
BindingDB Entry DOI: 10.7270/Q23R0SRH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50106634
PNG
((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...)
Show SMILES C[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO2/c1-11(12-2-6-14(18)7-3-12)16(10-17)13-4-8-15(19)9-5-13/h2-9,11,16,18-19H,1H3/t11-,16-/m1/s1
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n/an/an/an/a 0.140n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50106646
PNG
((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...)
Show SMILES CC[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C17H17NO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2H2,1H3/t16-,17+/m1/s1
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n/an/an/an/a 0.150n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.151n/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA binding domain fused full-length chimeric estrogen receptor beta (unknown origin) by FRET-based assay


J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.180n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Affinity for estrogen receptor of human MCF-7 cells


J Med Chem 40: 3756-64 (1997)


Article DOI: 10.1021/jm9701684
BindingDB Entry DOI: 10.7270/Q2280B95
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.200n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay


J Med Chem 55: 528-37 (2012)


Article DOI: 10.1021/jm201436k
BindingDB Entry DOI: 10.7270/Q2PN963M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187954
PNG
((S)-9a-ethyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...)
Show SMILES CC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F
Show InChI InChI=1S/C17H14F4N2O/c1-2-16-6-5-11(24)14(17(19,20)21)13(16)8-3-4-10-12(9(8)7-16)15(18)23-22-10/h3-4H,2,5-7H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/an/an/a 0.200n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50346462
PNG
((E)-2-chloro-4,4'-dihydroxybiphenyl-3-carbaldehyde...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1Cl
Show InChI InChI=1S/C13H10ClNO3/c14-13-10(8-1-3-9(16)4-2-8)5-6-12(17)11(13)7-15-18/h1-6,16-17H,7H2
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n/an/an/an/a 0.230n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional act...


Eur J Med Chem 46: 2453-62 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZC8362
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.25n/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...


Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.25n/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay


Bioorg Med Chem Lett 21: 5680-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.041
BindingDB Entry DOI: 10.7270/Q2JS9QTC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.25n/an/an/an/a



Concordia University Wisconsin

Curated by ChEMBL


Assay Description
Binding affinity to human GST-tagged estrogen receptor beta ligand binding domain after 1 hr by TR-FRET assay


J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.292n/an/an/an/a



Ohio State University

Curated by ChEMBL


Assay Description
Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells


J Med Chem 39: 1917-23 (1996)


Article DOI: 10.1021/jm9508245
BindingDB Entry DOI: 10.7270/Q21G0Q0F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50173661
PNG
(1,3-Diethyl-2-(4-hydroxy-phenyl)-3H-inden-5-ol | C...)
Show SMILES CCC1C(=C(CC)c2ccc(O)cc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O2/c1-3-15-17-10-9-14(21)11-18(17)16(4-2)19(15)12-5-7-13(20)8-6-12/h5-11,16,20-21H,3-4H2,1-2H3
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n/an/an/an/a 0.300n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30...


J Med Chem 48: 5989-6003 (2005)


Article DOI: 10.1021/jm050226i
BindingDB Entry DOI: 10.7270/Q2B857P7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50173667
PNG
(1-Ethyl-2-(4-hydroxy-phenyl)-3H-inden-5-ol | CHEMB...)
Show SMILES CCC1=C(Cc2cc(O)ccc12)c1ccc(O)cc1
Show InChI InChI=1S/C17H16O2/c1-2-15-16-8-7-14(19)9-12(16)10-17(15)11-3-5-13(18)6-4-11/h3-9,18-19H,2,10H2,1H3
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n/an/an/an/a 0.300n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30...


J Med Chem 48: 5989-6003 (2005)


Article DOI: 10.1021/jm050226i
BindingDB Entry DOI: 10.7270/Q2B857P7
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.300n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta in human MCF7 cells assessed as otubain 2 endogenous genes activation after 24 hrs by qPCR


J Med Chem 58: 1184-94 (2015)


Article DOI: 10.1021/jm501829f
BindingDB Entry DOI: 10.7270/Q2XK8H8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50106643
PNG
(3-(4-Hydroxy-2-methyl-phenyl)-2-(4-hydroxy-phenyl)...)
Show SMILES Cc1cc(O)ccc1CC(C#N)c1ccc(O)cc1
Show InChI InChI=1S/C16H15NO2/c1-11-8-16(19)7-4-13(11)9-14(10-17)12-2-5-15(18)6-3-12/h2-8,14,18-19H,9H2,1H3
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n/an/an/an/a 0.370n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.370n/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta (unknown origin) expressed in human HeLa cells assessed as transcriptional activation measured after 24 hrs by luciferase ...


Bioorg Med Chem 28: (2020)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.380n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene tr...


J Med Chem 58: 1184-94 (2015)


Article DOI: 10.1021/jm501829f
BindingDB Entry DOI: 10.7270/Q2XK8H8P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.400n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay


J Med Chem 55: 528-37 (2012)


Article DOI: 10.1021/jm201436k
BindingDB Entry DOI: 10.7270/Q2PN963M
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187943
PNG
((R)-9a-ethyl-6-(trifluoromethyl)-9,9a-dihydroinden...)
Show SMILES CC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F
Show InChI InChI=1S/C17H13F3N2O2/c1-2-16-6-5-11(23)14(17(18,19)20)13(16)8-3-4-10-9(7-21-22-10)12(8)15(16)24/h3-4,7H,2,5-6H2,1H3,(H,21,22)/t16-/m1/s1
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n/an/an/an/a 0.400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50189078
PNG
((S)(-)-9a-Butyl-6-ethyl-8,9,9a,10-tetrahydro-3H-1,...)
Show SMILES CCCC[C@]12Cc3c(ccc4nn[nH]c34)C1=C(CC)C(=O)CC2
Show InChI InChI=1S/C19H23N3O/c1-3-5-9-19-10-8-16(23)12(4-2)17(19)13-6-7-15-18(14(13)11-19)21-22-20-15/h6-7H,3-5,8-11H2,1-2H3,(H,20,21,22)/t19-/m0/s1
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n/an/an/an/a 0.400n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human recombinant ERbeta expressed in HEK293 cells by alkaline phosphatase reporter gene transactivation assay


Bioorg Med Chem Lett 16: 4652-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.103
BindingDB Entry DOI: 10.7270/Q2MP52WG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50474892
PNG
(CHEMBL184958)
Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3cc(O)ccc13)sc1cc(O)ccc21
Show InChI InChI=1S/C30H31NO3S/c32-22-8-10-24-21(16-22)17-28-30(25-11-9-23(33)18-27(25)35-28)29(24)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,16,18,26,29,32-34H,1-3,12-15,17H2
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n/an/an/an/a 0.400n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity as alkaline phosphatase induction in Ishikawa endometrial cells compared to E2


Bioorg Med Chem Lett 14: 5103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.072
BindingDB Entry DOI: 10.7270/Q25X2CQ6
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50106644
PNG
(2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...)
Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1
Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H
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n/an/an/an/a 0.410n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50106644
PNG
(2,3-Bis-(4-hydroxy-phenyl)-succinonitrile | CHEMBL...)
Show SMILES Oc1ccc(cc1)C(C#N)C(C#N)c1ccc(O)cc1
Show InChI InChI=1S/C16H12N2O2/c17-9-15(11-1-5-13(19)6-2-11)16(10-18)12-3-7-14(20)8-4-12/h1-8,15-16,19-20H
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n/an/an/an/a 0.420n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Transcriptional potency (EC50) at Human estrogen receptor Beta


J Med Chem 44: 4230-51 (2001)


Article DOI: 10.1021/jm010254a
BindingDB Entry DOI: 10.7270/Q289155W
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.458n/an/an/an/a



Charles University in Prague

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer...


J Med Chem 53: 6947-53 (2010)


Article DOI: 10.1021/jm100563h
BindingDB Entry DOI: 10.7270/Q2PC33M2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50474885
PNG
(CHEMBL360872)
Show SMILES Oc1ccc2C(c3ccc(OCCN4CCCCC4)cc3)c3c(Cc2c1)ccc1cc(O)ccc31
Show InChI InChI=1S/C31H31NO3/c33-25-8-12-28-22(19-25)4-5-23-18-24-20-26(34)9-13-29(24)30(31(23)28)21-6-10-27(11-7-21)35-17-16-32-14-2-1-3-15-32/h4-13,19-20,30,33-34H,1-3,14-18H2
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n/an/an/an/a 0.5n/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Agonist activity as alkaline phosphatase induction in Ishikawa endometrial cells compared to E2


Bioorg Med Chem Lett 14: 5103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.072
BindingDB Entry DOI: 10.7270/Q25X2CQ6
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50346464
PNG
((E)-6-Hydroxy-2,3-bis-(4-hydroxyphenyl)benzaldehyd...)
Show SMILES Oc1ccc(cc1)-c1ccc(O)c(CN=O)c1-c1ccc(O)cc1
Show InChI InChI=1S/C19H15NO4/c21-14-5-1-12(2-6-14)16-9-10-18(23)17(11-20-24)19(16)13-3-7-15(22)8-4-13/h1-10,21-23H,11H2
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n/an/an/an/a 0.5n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional act...


Eur J Med Chem 46: 2453-62 (2011)


Article DOI: 10.1016/j.ejmech.2011.03.030
BindingDB Entry DOI: 10.7270/Q2ZC8362
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.5n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g...


Eur J Med Chem 44: 3412-24 (2009)


Article DOI: 10.1016/j.ejmech.2009.02.006
BindingDB Entry DOI: 10.7270/Q2NK3F37
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187971
PNG
((S)-9a-ethyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...)
Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F
Show InChI InChI=1S/C17H15F3N2O/c1-2-16-6-5-13(23)15(17(18,19)20)14(16)9-3-4-12-11(8-21-22-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,21,22)/t16-/m0/s1
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n/an/an/an/a 0.600n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50297518
PNG
(CHEMBL556650 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...)
Show SMILES CC[C@H]([C@H](CC)c1ccc(O)cn1)c1ccc(O)cc1
Show InChI InChI=1S/C17H21NO2/c1-3-15(12-5-7-13(19)8-6-12)16(4-2)17-10-9-14(20)11-18-17/h5-11,15-16,19-20H,3-4H2,1-2H3/t15-,16-/m0/s1
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n/an/an/an/a 0.610n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Activity at human ERbeta expressed in HEC1 cells cotransfected with 2ERE-pS2-Luc assessed as relative transcriptional potency by luciferase reporter ...


Eur J Med Chem 44: 3560-70 (2009)


Article DOI: 10.1016/j.ejmech.2009.03.013
BindingDB Entry DOI: 10.7270/Q21Z44G1
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM42110
PNG
(9-nitro-4-phenyl-3a,4,5,9b-tetrahydro-3H-cyclopent...)
Show SMILES OC(=O)c1ccc(c2C3C=CCC3C(Nc12)c1ccccc1)[N+]([O-])=O
Show InChI InChI=1S/C19H16N2O4/c22-19(23)14-9-10-15(21(24)25)16-12-7-4-8-13(12)17(20-18(14)16)11-5-2-1-3-6-11/h1-7,9-10,12-13,17,20H,8H2,(H,22,23)
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n/an/an/an/a 0.650n/an/an/an/a



NMMLSC

Curated by PubChem BioAssay


Assay Description
University of New Mexico Assay Overview: Assay Support: 1X01 MH077627-01 Assay for Ligands of GPR30 and Classical Estrogen Receptors PI: Eric Prossni...


PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2VQ313H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.190 -13.1n/an/a 0.660n/an/a7.522



Eli Lilly and Company



Assay Description
The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...


J Med Chem 49: 6155-7 (2006)


Article DOI: 10.1021/jm060491j
BindingDB Entry DOI: 10.7270/Q2N014SV
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
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/an/an/a 0.670n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to activate estrogen receptor 2-mediated transcription.


Bioorg Med Chem Lett 14: 2327-30 (2004)


Article DOI: 10.1016/j.bmcl.2004.01.099
BindingDB Entry DOI: 10.7270/Q2HT2PVS
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187947
PNG
((S)-6-bromo-9a-ethyl-8,9,9a,10-tetrahydroindeno[2,...)
Show SMILES CC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(Br)C(=O)CC2
Show InChI InChI=1S/C16H15BrN2O/c1-2-16-6-5-13(20)15(17)14(16)9-3-4-12-11(8-18-19-12)10(9)7-16/h3-4,8H,2,5-7H2,1H3,(H,18,19)/t16-/m0/s1
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n/an/an/an/a 0.700n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Agonist activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter gene


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
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