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Compile Data Set for Download or QSAR

Found 857 hits of ec50 data for polymerid = 1998   
Target
(Institution)
LigandTarget
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 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 0.00400n/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


Citation and Details
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 0.00700n/an/an/an/a



Wyeth-Ayerst Research

Curated by ChEMBL


Assay Description
Agonist effect on transcriptional activation in MCF-7 cells expressing estrogen receptor alpha


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

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 0.00840n/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


Citation and Details
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 0.0100n/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)

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 0.0100n/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


Citation and Details
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 0.0180n/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)

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 0.0190n/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...


Citation and Details
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/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (human))
BDBM50121317
PNG
(1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(O)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 0.0200n/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


Citation and Details
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 0.0240n/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


Citation and Details
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
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...


Citation and Details
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 0.0460n/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


Citation and Details
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 0.0470n/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...


Citation and Details
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 0.0500n/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


Citation and Details
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
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...


Citation and Details
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)

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)

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 0.0700n/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)

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 0.0800n/an/an/an/a



Free University of Berlin

Curated by ChEMBL


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


Citation and Details
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 0.0900n/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...


Citation and Details
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 0.100n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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...


Citation and Details
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


Citation and Details
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 0.100n/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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
More data for this
Ligand-Target Pair
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
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...


Citation and Details
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
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


Citation and Details
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 0.123n/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


Citation and Details
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
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


Citation and Details
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 0.150n/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


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (human))
BDBM50018262
PNG
(CHEMBL37775)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(O)cc1)c1ccc(O)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


Citation and Details
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 0.160n/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...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (human))
BDBM50398937
PNG
(CHEMBL2178793)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1F)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H20F3NO3/c1-2-9-29-24(18-7-4-15(31)11-22(18)27)13-20(17-6-3-14(30)10-21(17)26)25(29)19-8-5-16(32)12-23(19)28/h3-8,10-13,30-32H,2,9H2,1H3
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n/an/an/an/a 0.200n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM19442
PNG
(2-(4-methoxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)p...)
Show SMILES COc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO4S/c1-31-22-8-5-20(6-9-22)28-27(25-14-7-21(30)19-26(25)34-28)33-24-12-10-23(11-13-24)32-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3
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n/an/an/an/a 0.200n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50145847
PNG
(CHEMBL3763189)
Show SMILES Oc1ccc(cc1)C(=O)c1sc2cc(O)ccc2c1-c1ccc(F)cc1
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n/an/an/an/a 0.200n/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Agonist activity at estrogen receptor alpha in human MCF7:WS8 cells after 18 hrs by dual luciferase reporter assay


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50398938
PNG
(CHEMBL2178792)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1F)-c1ccc(O)cc1)-c1ccc(O)cc1F
Show InChI InChI=1S/C25H21F2NO3/c1-2-11-28-24(19-9-7-17(30)12-22(19)26)14-21(15-3-5-16(29)6-4-15)25(28)20-10-8-18(31)13-23(20)27/h3-10,12-14,29-31H,2,11H2,1H3
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n/an/an/an/a 0.270n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(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 0.300n/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...


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More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50018256
PNG
(CHEMBL3290284)
Show SMILES COc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C24H22O2/c1-26-21-13-10-18(11-14-21)24-22(17-6-3-2-4-7-17)9-5-8-19-16-20(25)12-15-23(19)24/h2-4,6-7,10-16,25H,5,8-9H2,1H3
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n/an/an/an/a 0.300n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50018257
PNG
(CHEMBL3290282)
Show SMILES CCOc1ccc(cc1)C1=C(CCCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C25H24O2/c1-2-27-22-14-11-19(12-15-22)25-23(18-7-4-3-5-8-18)10-6-9-20-17-21(26)13-16-24(20)25/h3-5,7-8,11-17,26H,2,6,9-10H2,1H3
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n/an/an/an/a 0.300n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50398941
PNG
(CHEMBL2179253)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1Cl)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H22ClNO3/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 0.310n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(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 0.310n/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...


Citation and Details
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



Ghent University

Curated by ChEMBL


Assay Description
Estrogenic activity at human estrogen receptor expressing Saccharomyces cerevisiae carrying estrogen responsive sequence contatining plasmid assessed...


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (human))
BDBM50106637
PNG
(4-[2-(4-hydroxyphenyl)-3-pentynyl]phenol | CHEMBL1...)
Show SMILES CC#CC(Cc1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C17H16O2/c1-2-3-15(14-6-10-17(19)11-7-14)12-13-4-8-16(18)9-5-13/h4-11,15,18-19H,12H2,1H3
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n/an/an/an/a 0.380n/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)

More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50169743
PNG
((13S,17S)-13-Methyl-7-[9-(4,4,5,5,5-pentafluoro-pe...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCCS(=O)CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
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/an/an/a 0.400n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50398934
PNG
(CHEMBL2178795)
Show SMILES CCCn1c(cc(c1-c1ccc(O)cc1)-c1ccc(O)cc1)-c1ccc(O)cc1
Show InChI InChI=1S/C25H23NO3/c1-2-15-26-24(18-5-11-21(28)12-6-18)16-23(17-3-9-20(27)10-4-17)25(26)19-7-13-22(29)14-8-19/h3-14,16,27-29H,2,15H2,1H3
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n/an/an/an/a 0.400n/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


Citation and Details
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 0.480n/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Ability to activate estrogen receptor 1-mediated transcription.


Citation and Details
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 0.490n/an/an/an/a



Free University of Berlin

Curated by ChEMBL


Assay Description
Agonist activity in transcriptional activation assay in MCF-7-2a cells compared to estradiol E2


Citation and Details
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (human))
BDBM50090299
PNG
(CHEMBL3581681)
Show SMILES CC\C(=C(\c1ccc(\C=C\C(O)=O)cc1)c1ccc2[nH]ncc2c1)c1cscc1C
Show InChI InChI=1S/C25H22N2O2S/c1-3-21(22-15-30-14-16(22)2)25(19-9-10-23-20(12-19)13-26-27-23)18-7-4-17(5-8-18)6-11-24(28)29/h4-15H,3H2,1-2H3,(H,26,27)(H,28,29)/b11-6+,25-21+
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n/an/an/an/a 0.5n/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


Citation and Details
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (human))
BDBM50298236
PNG
(1,2-Bis-(4-hydroxy-phenyl)-but-1-ene | CHEMBL57363...)
Show SMILES CC\C(=C/c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C16H16O2/c1-2-13(14-5-9-16(18)10-6-14)11-12-3-7-15(17)8-4-12/h3-11,17-18H,2H2,1H3/b13-11+
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n/an/an/an/a 0.520n/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 ...


Citation and Details
More data for this
Ligand-Target Pair
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