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Compile Data Set for Download or QSAR

Found 48 hits Enz. Inhib. hit(s) with all data for entry = 50011833   
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 receptor


(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 0.330n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50551587
PNG
(CHEMBL4761289)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
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n/an/a 0.420n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551582
PNG
(CHEMBL279301 | E-4-Hydroxytamoxifen)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
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n/an/a 0.990n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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 1n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50551590
PNG
(CHEMBL4758245)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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n/an/a 1.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551589
PNG
(CHEMBL4790840)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551582
PNG
(CHEMBL279301 | E-4-Hydroxytamoxifen)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
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n/an/a 1.70n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551582
PNG
(CHEMBL279301 | E-4-Hydroxytamoxifen)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
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n/an/a 2.20n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551582
PNG
(CHEMBL279301 | E-4-Hydroxytamoxifen)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
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n/an/a 2.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551585
PNG
(CHEMBL4790191)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
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n/an/a 2.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 2.90n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551586
PNG
(CHEMBL4755319)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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n/an/a 3.5n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
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n/an/a 3.60n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 3.80n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
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n/an/a 4.30n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
PDB

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n/an/a 5.30n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 5.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551591
PNG
(CHEMBL4784145)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
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n/an/a 6.40n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 10n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551584
PNG
(CHEMBL4793264)
Show SMILES OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCN)cc1)c1ccccc1
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n/an/a 14n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551583
PNG
(CHEMBL4794674)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
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n/an/a 15n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551587
PNG
(CHEMBL4761289)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

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antibodypedia
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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551586
PNG
(CHEMBL4755319)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

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n/an/a 16n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551585
PNG
(CHEMBL4790191)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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PC sid
UniChem
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n/an/a 18n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551588
PNG
(CHEMBL4791340)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERalpha by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551590
PNG
(CHEMBL4758245)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 22n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551591
PNG
(CHEMBL4784145)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 28n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551589
PNG
(CHEMBL4790840)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 34n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551588
PNG
(CHEMBL4791340)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 44n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551585
PNG
(CHEMBL4790191)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 49n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551587
PNG
(CHEMBL4761289)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 55n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551583
PNG
(CHEMBL4794674)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 68n/an/an/an/an/an/a


TBA

Assay Description
Displacement of fluorescent-labelled E2 from recombinant human GST-tagged ERbeta by LanthaScreen TR-FRET assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551585
PNG
(CHEMBL4790191)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 73n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551583
PNG
(CHEMBL4794674)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 79n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551587
PNG
(CHEMBL4761289)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2\[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 88n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551591
PNG
(CHEMBL4784145)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 131n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551590
PNG
(CHEMBL4758245)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 136n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551590
PNG
(CHEMBL4758245)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 153n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
PDB

UniProtKB/SwissProt

antibodypedia
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CHEMBL
MCE
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Article
PubMed
n/an/a 154n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551586
PNG
(CHEMBL4755319)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 160n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551588
PNG
(CHEMBL4791340)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 215n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551591
PNG
(CHEMBL4784145)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1/[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 216n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
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CHEMBL
MCE
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UniChem

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Article
PubMed
n/an/a 238n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551586
PNG
(CHEMBL4755319)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 256n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551583
PNG
(CHEMBL4794674)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 260n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551588
PNG
(CHEMBL4791340)
Show SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)\C=C\c2ccc(cc2)C(=C(/CC)c2ccccc2)\c2ccc(O)cc2)cc1)c1ccccc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 290n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))
BDBM50551589
PNG
(CHEMBL4790840)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 304n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERbeta (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 h...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50551589
PNG
(CHEMBL4790840)
Show SMILES [#8]-c1ccc(cc1)-[#6](=[#6]-1\[#6]-[#6]-[#6]-[#6]-[#6]-1)\c1ccc(\[#6]=[#6]\[#6](=O)-[#7]-[#6]-[#6]-[#6]-[#7]-[#6](=O)\[#6]=[#6]\c2ccc(cc2)-[#6](=[#6]-2/[#6]-[#6]-[#6]-[#6]-[#6]-2)\c2ccc(-[#8])cc2)cc1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 565n/an/an/an/an/an/a


TBA

Assay Description
Antagonist activity at ERalpha (unknown origin) expressed in human U2OS cells assessed as inhibition of E2-induced transactivation measured after 21 ...


Citation and Details

Article DOI: 10.1016/j.ejmech.2020.112191
BindingDB Entry DOI: 10.7270/Q22R3W9R
More data for this
Ligand-Target Pair