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Compile Data Set for Download or QSAR

Found 1316 hits of ec50 data for polymerid = 369   
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
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/an/an/a 0.00400n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha 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)
Estrogen receptor


(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/an/an/a 0.00700n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
In vitro agonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells at 10 pM

J Med Chem 44: 1654-7 (2001)


BindingDB Entry DOI: 10.7270/Q2F47NDX
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 [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/an/an/a 0.00700n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from human Estrogen receptor alpha

Bioorg Med Chem Lett 10: 147-51 (2000)


BindingDB Entry DOI: 10.7270/Q2JH3MQR
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 [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/an/an/a 0.00840n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha in human MCF7 cells assessed as progesterone receptor 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)
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/an/an/a 0.0100n/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Effect on ERalpha in MCF7 cell line transfected with ER responsive luciferase reporter

Bioorg Med Chem Lett 15: 5562-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.010
BindingDB Entry DOI: 10.7270/Q2N879CK
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50590844
PNG
(CHEMBL5177342)
Show SMILES [H][C@@]12C[C@@]3([H])[C@]4([H])CCc5cc(O)ccc5[C@@]4([H])CC[C@]3(C)[C@]1(O)CC(=O)O2 |r|
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n/an/an/an/a 0.0140n/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114658
BindingDB Entry DOI: 10.7270/Q2NP28CD
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES [#6]-[#6]\[#6](=[#6](\c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccccc1
Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3
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n/an/an/an/a 0.0150n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
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 [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/an/an/a 0.0180n/an/an/an/a



University of Illinois

Curated by ChEMBL


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

J Med Chem 44: 4230-51 (2001)


BindingDB Entry DOI: 10.7270/Q289155W
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 [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/an/an/a 0.0190n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-3...

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 [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 24n/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		3D
3D Structure (crystal)
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/an/an/a 0.0240n/an/an/an/a



Phenex Pharmaceuticals AG

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha 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)
Estrogen receptor


(Homo sapiens (Human))		BDBM50309557
PNG
(CHEMBL592868 | estrogen)
Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C |r|
Show InChI InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h5,7,13,17-19,22-23H,4,6,8-9,11-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1
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n/an/an/an/a 0.0280n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s...

Bioorg Med Chem 18: 809-21 (2010)


Article DOI: 10.1016/j.bmc.2009.11.046
BindingDB Entry DOI: 10.7270/Q28K797G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM412253
PNG
((5R,6S)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)a...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1 |r|
Show InChI InChI=1S/C28H31FN2O/c29-15-4-16-31-18-24(19-31)30-23-10-7-21(8-11-23)28-26(20-5-2-1-3-6-20)13-9-22-17-25(32)12-14-27(22)28/h1-3,5-8,10-12,14,17,24,26,28,30,32H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1
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n/an/an/an/a 0.0290n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
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 [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/an/an/a 0.0300n/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate...

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))		BDBM412241
PNG
((5S,6S)-5-(2-fluoro-4- (2-(3- (fluoromethyl)azetid...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F |r|
Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)12-13-33-23-8-11-26(27(30)15-23)28-24(20-4-2-1-3-5-20)9-6-21-14-22(32)7-10-25(21)28/h1-5,7-8,10-11,14-15,19,24,28,32H,6,9,12-13,16-18H2/t24-,28+/m1/s1
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n/an/an/an/a 0.0360n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM412245
PNG
((5S,6R)-5-(4-((S)-2- ((R)-3- (fluoromethyl)pyrroli...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1 |r|
Show InChI InChI=1S/C30H34FNO2/c1-21(32-16-15-22(18-31)19-32)20-34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22-,28-,30+/m0/s1
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n/an/an/an/a 0.0370n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM412255
PNG
(4-((1S,2R)-1-(4-(2-(3- (fluoromethyl)azetidin- 1-y...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H29FN2O2/c30-16-21-18-32(19-21)13-14-34-26-9-5-23(6-10-26)29-27(22-3-1-20(17-31)2-4-22)11-7-24-15-25(33)8-12-28(24)29/h1-6,8-10,12,15,21,27,29,33H,7,11,13-14,16,18-19H2/t27-,29+/m0/s1
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n/an/an/an/a 0.0380n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM412225
PNG
((1S,2S)-1-[2,6- difluoro-4-[2-[3- (fluoromethyl)az...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F |r|
Show InChI InChI=1S/C28H28F3NO2/c29-15-18-16-32(17-18)10-11-34-22-13-25(30)28(26(31)14-22)27-23(19-4-2-1-3-5-19)8-6-20-12-21(33)7-9-24(20)27/h1-5,7,9,12-14,18,23,27,33H,6,8,10-11,15-17H2/t23-,27+/m1/s1
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n/an/an/an/a 0.0400n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
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 [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/an/an/a 0.0460n/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha expressed in HEK 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))		BDBM412248
PNG
((5S,6S)-5-(6-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1 |r|
Show InChI InChI=1S/C27H29FN2O2/c28-15-19-17-30(18-19)12-13-32-26-11-7-22(16-29-26)27-24(20-4-2-1-3-5-20)9-6-21-14-23(31)8-10-25(21)27/h1-5,7-8,10-11,14,16,19,24,27,31H,6,9,12-13,15,17-18H2/t24-,27+/m1/s1
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n/an/an/an/a 0.0460n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
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 [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/an/an/a 0.0470n/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Estrogenic activity at estrogen receptor in human Ishikawa Var-1 cells assessed as stimulation of alkaline phosphatase activity measured by metabolis...

J Nat Prod 67: 1829-32 (2004)


Article DOI: 10.1021/np040069a
BindingDB Entry DOI: 10.7270/Q2SN09TS
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 [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/an/an/a 0.0500n/an/an/an/a



East China University of Science and Technology

Curated by ChEMBL


Assay Description
Transcriptional activation of ERalpha 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)
Estrogen receptor


(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 |t:3|
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 0.0590n/an/an/an/a



University of California

Curated by ChEMBL


Assay Description
Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-3...

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
Estrogen receptor


(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 12n/a 0.0600n/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)
Estrogen receptor


(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 0.0640n/an/an/an/a



University of Illinois

Curated by ChEMBL


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

J Med Chem 44: 4230-51 (2001)


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


(Homo sapiens (Human))		BDBM50233216
PNG
(CHEMBL4081807)
Show SMILES Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1
Show InChI InChI=1S/C26H19ClO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+
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n/an/an/an/a 0.0700n/an/an/an/a



University of Illinois College of Pharmacy

Curated by ChEMBL


Assay Description
Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay

J Med Chem 60: 1325-1342 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01355
BindingDB Entry DOI: 10.7270/Q29P33WB
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 [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/an/an/a 0.0700n/an/an/an/a



GlaxoSmithKline Research and Development

Curated by ChEMBL


Assay Description
Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alpha

J Med Chem 45: 5492-505 (2002)


BindingDB Entry DOI: 10.7270/Q2J965RW
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 [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/an/an/a 0.0800n/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Concentration required to activate luciferase expression in MCF-7-2a cells

J Med Chem 47: 915-27 (2004)


Article DOI: 10.1021/jm0309809
BindingDB Entry DOI: 10.7270/Q2BP041Q
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 [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/an/an/a 0.0900n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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

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		3D
3D Structure (crystal)
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/an/an/a 0.0900n/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...

Bioorg Med Chem 27: 1952-1961 (2019)


Article DOI: 10.1016/j.bmc.2019.03.042
BindingDB Entry DOI: 10.7270/Q24171GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM412235
PNG
((5S,6R)-5-(4-(2-(3- (fluoromethyl)pyrrolidin- 1- y...)
Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1 |r|
Show InChI InChI=1S/C29H32FNO2/c30-19-21-14-15-31(20-21)16-17-33-26-10-6-23(7-11-26)29-27(22-4-2-1-3-5-22)12-8-24-18-25(32)9-13-28(24)29/h1-7,9-11,13,18,21,27,29,32H,8,12,14-17,19-20H2/t21?,27-,29+/m0/s1
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n/an/an/an/a 0.100n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50580473
PNG
(CHEMBL5094275)
Show SMILES C[C@@H]1Cc2c([nH]c3ccccc23)[C@H](N1CC(C)(C)F)c1c(F)cc(cc1F)N1CC(C1)C(N)=O |r|
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n/an/an/an/a 0.100n/an/an/an/a


TBA

Assay Description
Induction of degradation of ERalpha in human MCF7 cells incubated for 4 hrs in presence of anti-ERalpha rabbit monoclonal antibodies measured after 4...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.1c00280
BindingDB Entry DOI: 10.7270/Q29Z98RN
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM50005603
PNG
(CHEMBL3234630)
Show SMILES Oc1ccc(cc1)C(=N/c1ccccc1Cl)\c1ccc(O)cc1O
Show InChI InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+
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n/an/an/an/a 0.100n/an/an/an/a



Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)

Curated by ChEMBL


Assay Description
Agonist activity at ERalpha (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase rep...

J Med Chem 57: 3532-45 (2014)


Article DOI: 10.1021/jm500268j
BindingDB Entry DOI: 10.7270/Q2MS3V9N
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50398935
PNG
(PROPYLPYRAZOLETRIOL)
Show SMILES CCCc1c(nn(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C24H22N2O3/c1-2-3-22-23(16-4-10-19(27)11-5-16)25-26(18-8-14-21(29)15-9-18)24(22)17-6-12-20(28)13-7-17/h4-15,27-29H,2-3H2,1H3
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n/an/an/an/a 0.100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha 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
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/an/an/a 0.100n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of ERalpha in human MCF7/2a 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)
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/an/an/a 0.100n/an/an/an/a



University of Illinois

Curated by ChEMBL


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

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)
Estrogen receptor


(Homo sapiens (Human))		BDBM50099587
PNG
(2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)
Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12
Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3
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n/an/an/an/a 0.100n/an/an/an/a



Seragon Pharmaceuticals

Curated by ChEMBL


Assay Description
Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay

J Med Chem 58: 4888-904 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00054
BindingDB Entry DOI: 10.7270/Q29W0H7Q
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))		BDBM412251
PNG
((5R,6S)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)o...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OC2CN(CCCF)C2)cc1 |r|
Show InChI InChI=1S/C28H30FNO2/c29-15-4-16-30-18-25(19-30)32-24-11-7-21(8-12-24)28-26(20-5-2-1-3-6-20)13-9-22-17-23(31)10-14-27(22)28/h1-3,5-8,10-12,14,17,25-26,28,31H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1
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n/an/an/an/a 0.107n/an/an/an/a



Genentech, Inc.

US Patent


Assay Description
The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t...

US Patent US10399939 (2019)


BindingDB Entry DOI: 10.7270/Q2G73H4H
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 [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/an/an/a 0.107n/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 alpha (unknown origin) by FRET-based assay

J Med Chem 61: 4720-4738 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01601
BindingDB Entry DOI: 10.7270/Q2TH8R3Q
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 [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/an/an/a 0.110n/an/an/an/a



Nagasaki University

Curated by ChEMBL


Assay Description
Agonist activity at recombinant human GAL4-fused ERalpha expressed in HEk293 cells by luciferase reporter gene assay

Bioorg Med Chem 26: 1638-1642 (2018)


Article DOI: 10.1016/j.bmc.2018.02.010
BindingDB Entry DOI: 10.7270/Q24170Q8
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(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 |r|
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 0.110n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Activity at human ERalpha 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
Estrogen receptor


(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/an/an/a 0.110n/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph...

Bioorg Med Chem 27: 1952-1961 (2019)


Article DOI: 10.1016/j.bmc.2019.03.042
BindingDB Entry DOI: 10.7270/Q24171GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50297516
PNG
(CHEMBL538148 | trans-6-[1-ethyl-2-(4-hydroxy-pheny...)
Show SMILES CC[C@@H]([C@@H](C)c1ccc(O)cc1)c1ccc(O)cn1 |r|
Show InChI InChI=1S/C16H19NO2/c1-3-15(16-9-8-14(19)10-17-16)11(2)12-4-6-13(18)7-5-12/h4-11,15,18-19H,3H2,1-2H3/t11-,15-/m0/s1
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n/an/an/an/a 0.110n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Activity at human ERalpha 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
Estrogen receptor


(Homo sapiens (Human))		BDBM50398932
PNG
(CHEMBL2178797)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1 |(37.4,-10.26,;37.07,-8.76,;38.21,-7.72,;37.89,-6.22,;36.48,-5.59,;36.63,-4.06,;38.14,-3.74,;38.91,-5.07,;40.44,-5.22,;41.33,-3.98,;42.86,-4.12,;43.5,-5.53,;45.03,-5.69,;42.6,-6.78,;41.07,-6.63,;40.17,-7.88,;38.76,-2.33,;40.29,-2.17,;40.91,-.76,;40,.5,;40.62,1.9,;38.46,.31,;37.85,-1.1,;35.14,-6.37,;33.8,-5.61,;32.48,-6.38,;32.47,-7.92,;31.14,-8.69,;33.81,-8.69,;35.14,-7.92,)|
Show InChI InChI=1S/C25H22FNO3/c1-2-13-27-24(17-5-9-19(29)10-6-17)15-22(16-3-7-18(28)8-4-16)25(27)21-12-11-20(30)14-23(21)26/h3-12,14-15,28-30H,2,13H2,1H3
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n/an/an/an/a 0.120n/an/an/an/a



Freie Universit£t Berlin

Curated by ChEMBL


Assay Description
Activation of human ERalpha 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
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/an/an/a 0.123n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha 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)
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/an/an/a 0.130n/an/an/an/a



the University of Tokyo

Curated by ChEMBL


Assay Description
Agonist activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ER-alpha-mediated transcriptional activit...

Bioorg Med Chem 27: 1952-1961 (2019)


Article DOI: 10.1016/j.bmc.2019.03.042
BindingDB Entry DOI: 10.7270/Q24171GJ
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50383076
PNG
(CHEMBL2031518)
Show SMILES Cc1cc(O)ccc1C1=C([C@H]2[C@H](C[C@@H]1S2=O)S(=O)(=O)Oc1ccccc1)c1ccc(O)cc1C |r,t:9,TLB:7:8:11.12:14,26:9:11.12:14|
Show InChI InChI=1S/C26H24O6S2/c1-15-12-17(27)8-10-20(15)24-22-14-23(34(30,31)32-19-6-4-3-5-7-19)26(33(22)29)25(24)21-11-9-18(28)13-16(21)2/h3-13,22-23,26-28H,14H2,1-2H3/t22-,23-,26+,33?/m0/s1
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n/an/an/an/a 0.140n/an/an/an/a



Wuhan University

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay

J Med Chem 55: 2324-41 (2012)


Article DOI: 10.1021/jm201556r
BindingDB Entry DOI: 10.7270/Q2VT1T4R
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))		BDBM50018262
PNG
(CHEMBL37775)
Show SMILES [#6]-[#6]\[#6](=[#6](/c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1)-c1ccc(-[#8])cc1
Show InChI InChI=1S/C22H20O3/c1-2-21(15-3-9-18(23)10-4-15)22(16-5-11-19(24)12-6-16)17-7-13-20(25)14-8-17/h3-14,23-25H,2H2,1H3
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n/an/an/an/a 0.150n/an/an/an/a



Georgetown University

Curated by ChEMBL


Assay Description
Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis

J Med Chem 57: 4569-83 (2014)


Article DOI: 10.1021/jm500569h
BindingDB Entry DOI: 10.7270/Q2H996R4
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 [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/an/an/a 0.150n/an/an/an/a



University of Illinois

Curated by ChEMBL


Assay Description
Agonist activity at human ERalpha 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)
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/an/an/a 0.160n/an/an/an/a



Universit£ di Pisa

Curated by ChEMBL


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

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)
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