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Compile Data Set for Download or QSAR

Found 177 hits of ph data with Target = 'Estrogen receptor'   
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))
BDBM20636
PNG
(2-(4-hydroxy-2-methylphenyl)-1-benzothiophen-6-ol ...)
Show SMILES Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C15H12O2S/c1-9-6-11(16)4-5-13(9)15-7-10-2-3-12(17)8-14(10)18-15/h2-8,16-17H,1H3
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n/an/a 341n/a 48n/an/a7.422



Novartis Pharmaceuticals



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


J Med Chem 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20637
PNG
(2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophene-4,6-...)
Show SMILES Oc1cc(O)c2cc(sc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H9FO3S/c15-10-3-7(1-2-11(10)17)13-6-9-12(18)4-8(16)5-14(9)19-13/h1-6,16-18H
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n/an/a>1.00E+4n/a 1.00E+3n/an/a7.422



Novartis Pharmaceuticals



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


J Med Chem 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20638
PNG
(2-(4-hydroxy-3-methylphenyl)-1-benzothiophene-4,6-...)
Show SMILES Cc1cc(ccc1O)-c1cc2c(O)cc(O)cc2s1
Show InChI InChI=1S/C15H12O3S/c1-8-4-9(2-3-12(8)17)14-7-11-13(18)5-10(16)6-15(11)19-14/h2-7,16-18H,1H3
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n/an/a>1.00E+4n/a>1.00E+3n/an/a7.422



Novartis Pharmaceuticals



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


J Med Chem 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22423
PNG
(4-[(1Z)-4-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28ClNO2/c1-28(2)18-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-17-27)20-6-4-3-5-7-20/h3-15,29H,16-19H2,1-2H3/b26-25-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22424
PNG
(4-[(1Z)-5-chloro-1-{4-[2-(dimethylamino)ethoxy]phe...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCl)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30ClNO2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,18-20H2,1-2H3/b27-26-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22425
PNG
((4Z)-5-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCC#N)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H28N2O2/c1-29(2)19-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-18-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,30H,6,9,19-20H2,1-2H3/b27-26-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22426
PNG
((5Z)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-6-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCC#N)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H30N2O2/c1-30(2)20-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-19-29)22-8-4-3-5-9-22/h3-5,8-9,11-18,31H,6-7,10,20-21H2,1-2H3/b28-27-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22427
PNG
(4-[(1Z)-4-azido-1-{4-[2-(dimethylamino)ethoxy]phen...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H28N4O2/c1-30(2)18-19-32-24-14-10-22(11-15-24)26(21-8-12-23(31)13-9-21)25(16-17-28-29-27)20-6-4-3-5-7-20/h3-15,31H,16-19H2,1-2H3/b26-25-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22428
PNG
(4-[(1Z)-5-azido-1-{4-[2-(dimethylamino)ethoxy]phen...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCN=[N+]=[N-])c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H30N4O2/c1-31(2)19-20-33-25-16-12-23(13-17-25)27(22-10-14-24(32)15-11-22)26(9-6-18-29-30-28)21-7-4-3-5-8-21/h3-5,7-8,10-17,32H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 13n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22429
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(m...)
Show SMILES CSCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H33NO2S/c1-29(2)19-20-31-26-17-13-24(14-18-26)28(23-11-15-25(30)16-12-23)27(10-7-21-32-3)22-8-5-4-6-9-22/h4-6,8-9,11-18,30H,7,10,19-21H2,1-3H3/b28-27-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22430
PNG
((5Z)-6-{4-[2-(dimethylamino)ethoxy]phenyl}-6-(4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCC(O)=O)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H31NO4/c1-29(2)19-20-33-25-17-13-23(14-18-25)28(22-11-15-24(30)16-12-22)26(9-6-10-27(31)32)21-7-4-3-5-8-21/h3-5,7-8,11-18,30H,6,9-10,19-20H2,1-2H3,(H,31,32)/b28-26-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22431
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-(m...)
Show SMILES CNCCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C28H34N2O2/c1-29-19-7-10-27(22-8-5-4-6-9-22)28(23-11-15-25(31)16-12-23)24-13-17-26(18-14-24)32-21-20-30(2)3/h4-6,8-9,11-18,29,31H,7,10,19-21H2,1-3H3/b28-27-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22432
PNG
(4-[(1Z)-5-(dimethylamino)-1-{4-[2-(dimethylamino)e...)
Show SMILES CN(C)CCC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C29H36N2O2/c1-30(2)20-8-11-28(23-9-6-5-7-10-23)29(24-12-16-26(32)17-13-24)25-14-18-27(19-15-25)33-22-21-31(3)4/h5-7,9-10,12-19,32H,8,11,20-22H2,1-4H3/b29-28-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22433
PNG
(4-hydroxytamoxifen (4-OHT) analog, 13 | N-[(4Z)-5-...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCNC(C)=O)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C29H34N2O3/c1-22(32)30-19-7-10-28(23-8-5-4-6-9-23)29(24-11-15-26(33)16-12-24)25-13-17-27(18-14-25)34-21-20-31(2)3/h4-6,8-9,11-18,33H,7,10,19-21H2,1-3H3,(H,30,32)/b29-28-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22434
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-4-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C26H29NO3/c1-27(2)17-19-30-24-14-10-22(11-15-24)26(21-8-12-23(29)13-9-21)25(16-18-28)20-6-4-3-5-7-20/h3-15,28-29H,16-19H2,1-2H3/b26-25-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22435
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-5-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C27H31NO3/c1-28(2)18-20-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(9-6-19-29)21-7-4-3-5-8-21/h3-5,7-8,10-17,29-30H,6,9,18-20H2,1-2H3/b27-26-
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n/an/a 320n/an/an/an/a7.422



GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM22436
PNG
(4-[(1Z)-1-{4-[2-(dimethylamino)ethoxy]phenyl}-6-hy...)
Show SMILES CN(C)CCOc1ccc(cc1)C(=C(\CCCCO)c1ccccc1)\c1ccc(O)cc1
Show InChI InChI=1S/C28H33NO3/c1-29(2)19-21-32-26-17-13-24(14-18-26)28(23-11-15-25(31)16-12-23)27(10-6-7-20-30)22-8-4-3-5-9-22/h3-5,8-9,11-18,30-31H,6-7,10,19-21H2,1-2H3/b28-27-
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GSK



Assay Description
Binding affinity was measured by a scintillation proximity binding assay using [3H]4-OHT (for ERRgamma) or [3H]estradiol (for ERalpha) as radioligand...


Bioorg Med Chem Lett 16: 821-4 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.030
BindingDB Entry DOI: 10.7270/Q2WW7FZ7
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20584
PNG
(1-(4-fluorophenyl)-2-phenyl-1,2,3,4-tetrahydroisoq...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(F)cc1
Show InChI InChI=1S/C21H18FNO/c22-17-8-6-15(7-9-17)21-20-11-10-19(24)14-16(20)12-13-23(21)18-4-2-1-3-5-18/h1-11,14,21,24H,12-13H2
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n/an/a 285n/an/an/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20585
PNG
(2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-1...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C27H30N2O2/c30-24-10-13-26-22(20-24)14-17-29(23-6-2-1-3-7-23)27(26)21-8-11-25(12-9-21)31-19-18-28-15-4-5-16-28/h1-3,6-13,20,27,30H,4-5,14-19H2
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n/an/a 21n/a 10.7n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20586
PNG
(2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-1,...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H32N2O2/c31-25-11-14-27-23(21-25)15-18-30(24-7-3-1-4-8-24)28(27)22-9-12-26(13-10-22)32-20-19-29-16-5-2-6-17-29/h1,3-4,7-14,21,28,31H,2,5-6,15-20H2
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n/an/a 19n/a 16.5n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20587
PNG
(1-methyl-2-phenyl-1-{4-[2-(pyrrolidin-1-yl)ethoxy]...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H32N2O2/c1-28(23-9-12-26(13-10-23)32-20-19-29-16-5-6-17-29)27-14-11-25(31)21-22(27)15-18-30(28)24-7-3-2-4-8-24/h2-4,7-14,21,31H,5-6,15-20H2,1H3
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n/an/a 38n/a 1.80n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20588
PNG
(1-methyl-2-phenyl-1-{4-[2-(piperidin-1-yl)ethoxy]p...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H34N2O2/c1-29(24-10-13-27(14-11-24)33-21-20-30-17-6-3-7-18-30)28-15-12-26(32)22-23(28)16-19-31(29)25-8-4-2-5-9-25/h2,4-5,8-15,22,32H,3,6-7,16-21H2,1H3
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n/an/a 29n/a 2.60n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20589
PNG
(1-{4-[2-(azepan-1-yl)ethoxy]phenyl}-1-methyl-2-phe...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccccc1)c1ccc(OCCN2CCCCCC2)cc1
Show InChI InChI=1S/C30H36N2O2/c1-30(25-11-14-28(15-12-25)34-22-21-31-18-7-2-3-8-19-31)29-16-13-27(33)23-24(29)17-20-32(30)26-9-5-4-6-10-26/h4-6,9-16,23,33H,2-3,7-8,17-22H2,1H3
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n/an/a 56n/a 1.5n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20590
PNG
(1-methyl-2-(4-methylphenyl)-1-{4-[2-(pyrrolidin-1-...)
Show SMILES Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C29H34N2O2/c1-22-5-9-25(10-6-22)31-18-15-23-21-26(32)11-14-28(23)29(31,2)24-7-12-27(13-8-24)33-20-19-30-16-3-4-17-30/h5-14,21,32H,3-4,15-20H2,1-2H3
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n/an/a 31n/a 3.5n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20591
PNG
(1-methyl-2-(4-methylphenyl)-1-{4-[2-(piperidin-1-y...)
Show SMILES Cc1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H36N2O2/c1-23-6-10-26(11-7-23)32-19-16-24-22-27(33)12-15-29(24)30(32,2)25-8-13-28(14-9-25)34-21-20-31-17-4-3-5-18-31/h6-15,22,33H,3-5,16-21H2,1-2H3
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n/an/a 28n/a 2.90n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20592
PNG
(2-(4-fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H31FN2O2/c1-28(22-4-11-26(12-5-22)33-19-18-30-15-2-3-16-30)27-13-10-25(32)20-21(27)14-17-31(28)24-8-6-23(29)7-9-24/h4-13,20,32H,2-3,14-19H2,1H3
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n/an/a 31n/a 1.60n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20593
PNG
(2-(4-fluorophenyl)-1-methyl-1-{4-[2-(piperidin-1-y...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(F)cc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H33FN2O2/c1-29(23-5-12-27(13-6-23)34-20-19-31-16-3-2-4-17-31)28-14-11-26(33)21-22(28)15-18-32(29)25-9-7-24(30)8-10-25/h5-14,21,33H,2-4,15-20H2,1H3
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n/an/a 38n/a 1.90n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20594
PNG
(2-(4-chlorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H31ClN2O2/c1-28(22-4-11-26(12-5-22)33-19-18-30-15-2-3-16-30)27-13-10-25(32)20-21(27)14-17-31(28)24-8-6-23(29)7-9-24/h4-13,20,32H,2-3,14-19H2,1H3
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n/an/a 27n/a 3.30n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20595
PNG
(2-(4-chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-y...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1ccc(Cl)cc1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-29(23-5-12-27(13-6-23)34-20-19-31-16-3-2-4-17-31)28-14-11-26(33)21-22(28)15-18-32(29)25-9-7-24(30)8-10-25/h5-14,21,33H,2-4,15-20H2,1H3
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n/an/a 35n/a 3.10n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20596
PNG
(1-methyl-2-[4-(propan-2-yl)phenyl]-1-{4-[2-(pyrrol...)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C31H38N2O2/c1-23(2)24-6-10-27(11-7-24)33-19-16-25-22-28(34)12-15-30(25)31(33,3)26-8-13-29(14-9-26)35-21-20-32-17-4-5-18-32/h6-15,22-23,34H,4-5,16-21H2,1-3H3
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n/an/a 44n/a 2.60n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20597
PNG
(1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-...)
Show SMILES CC(C)c1ccc(cc1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-24(2)25-7-11-28(12-8-25)34-20-17-26-23-29(35)13-16-31(26)32(34,3)27-9-14-30(15-10-27)36-22-21-33-18-5-4-6-19-33/h7-16,23-24,35H,4-6,17-22H2,1-3H3
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n/an/a 71n/a 5.20n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20598
PNG
(2-(3-hydroxyphenyl)-1-methyl-1-{4-[2-(pyrrolidin-1...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H32N2O3/c1-28(22-7-10-26(11-8-22)33-18-17-29-14-2-3-15-29)27-12-9-25(32)19-21(27)13-16-30(28)23-5-4-6-24(31)20-23/h4-12,19-20,31-32H,2-3,13-18H2,1H3
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n/an/a 31n/a 0.600n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20599
PNG
(2-(3-hydroxyphenyl)-1-methyl-1-{4-[2-(piperidin-1-...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(O)c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H34N2O3/c1-29(23-8-11-27(12-9-23)34-19-18-30-15-3-2-4-16-30)28-13-10-26(33)20-22(28)14-17-31(29)24-6-5-7-25(32)21-24/h5-13,20-21,32-33H,2-4,14-19H2,1H3
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n/an/a 34n/a 0.700n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20600
PNG
(2-(3-fluorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(F)c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H31FN2O2/c1-28(22-7-10-26(11-8-22)33-18-17-30-14-2-3-15-30)27-12-9-25(32)19-21(27)13-16-31(28)24-6-4-5-23(29)20-24/h4-12,19-20,32H,2-3,13-18H2,1H3
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n/an/a 39n/a 3n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20601
PNG
(2-(3-chlorophenyl)-1-methyl-1-{4-[2-(pyrrolidin-1-...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H31ClN2O2/c1-28(22-7-10-26(11-8-22)33-18-17-30-14-2-3-15-30)27-12-9-25(32)19-21(27)13-16-31(28)24-6-4-5-23(29)20-24/h4-12,19-20,32H,2-3,13-18H2,1H3
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n/an/a 66n/a 2.90n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20602
PNG
(2-(3-chlorophenyl)-1-methyl-1-{4-[2-(piperidin-1-y...)
Show SMILES CC1(N(CCc2cc(O)ccc12)c1cccc(Cl)c1)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H33ClN2O2/c1-29(23-8-11-27(12-9-23)34-19-18-31-15-3-2-4-16-31)28-13-10-26(33)20-22(28)14-17-32(29)25-7-5-6-24(30)21-25/h5-13,20-21,33H,2-4,14-19H2,1H3
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n/an/a 49n/a 4.5n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20603
PNG
(1-methyl-1-{4-[2-(piperidin-1-yl)ethoxy]phenyl}-2-...)
Show SMILES CC(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C32H40N2O2/c1-24(2)25-8-7-9-28(22-25)34-19-16-26-23-29(35)12-15-31(26)32(34,3)27-10-13-30(14-11-27)36-21-20-33-17-5-4-6-18-33/h7-15,22-24,35H,4-6,16-21H2,1-3H3
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n/an/a 46n/a 16.1n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20604
PNG
(2-[3-(dimethylamino)phenyl]-1-methyl-1-{4-[2-(pyrr...)
Show SMILES CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C30H37N3O2/c1-30(24-9-12-28(13-10-24)35-20-19-32-16-4-5-17-32)29-14-11-27(34)21-23(29)15-18-33(30)26-8-6-7-25(22-26)31(2)3/h6-14,21-22,34H,4-5,15-20H2,1-3H3
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n/an/a 94n/a 19n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20605
PNG
(2-[3-(dimethylamino)phenyl]-1-methyl-1-{4-[2-(pipe...)
Show SMILES CN(C)c1cccc(c1)N1CCc2cc(O)ccc2C1(C)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C31H39N3O2/c1-31(25-10-13-29(14-11-25)36-21-20-33-17-5-4-6-18-33)30-15-12-28(35)22-24(30)16-19-34(31)27-9-7-8-26(23-27)32(2)3/h7-15,22-23,35H,4-6,16-21H2,1-3H3
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n/an/a 71n/a 19.8n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 22n/a 2.40n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20606
PNG
((5R,6S)-6-phenyl-5-[4-(2-pyrrolidin-1-ylethoxy)phe...)
Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C28H31NO2/c30-24-11-15-27-23(20-24)10-14-26(21-6-2-1-3-7-21)28(27)22-8-12-25(13-9-22)31-19-18-29-16-4-5-17-29/h1-3,6-9,11-13,15,20,26,28,30H,4-5,10,14,16-19H2/t26-,28+/m1/s1
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n/an/a 4n/a 3.10n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20607
PNG
((2-{4-[(1Z)-1,2-diphenylbut-1-en-1-yl]phenoxy}ethy...)
Show SMILES CC\C(=C(/c1ccccc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO/c1-4-25(21-11-7-5-8-12-21)26(22-13-9-6-10-14-22)23-15-17-24(18-16-23)28-20-19-27(2)3/h5-18H,4,19-20H2,1-3H3/b26-25-
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n/an/an/an/a 622n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20608
PNG
(4-Hydroxytamoxifen | 4-Hydroxytamoxifen (9) | 4-[(...)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 17n/a 10.3n/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
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/a 28n/an/an/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 46: 2945-57 (2003)


Article DOI: 10.1021/jm030086h
BindingDB Entry DOI: 10.7270/Q2H41PQQ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20609
PNG
(1-(4-{octahydro-1H-pyrido[1,2-a]piperazin-2-yl}phe...)
Show SMILES Oc1ccc2C(N(CCc2c1)c1ccccc1)c1ccc(cc1)N1CCN2CCCCC2C1
Show InChI InChI=1S/C29H33N3O/c33-27-13-14-28-23(20-27)15-17-32(25-6-2-1-3-7-25)29(28)22-9-11-24(12-10-22)31-19-18-30-16-5-4-8-26(30)21-31/h1-3,6-7,9-14,20,26,29,33H,4-5,8,15-19,21H2
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n/an/a 63n/a 23.2n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20610
PNG
(1-[4-(3,4-dimethylpiperazin-1-yl)phenyl]-2-phenyl-...)
Show SMILES CC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C27H31N3O/c1-20-19-29(17-16-28(20)2)23-10-8-21(9-11-23)27-26-13-12-25(31)18-22(26)14-15-30(27)24-6-4-3-5-7-24/h3-13,18,20,27,31H,14-17,19H2,1-2H3
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n/an/a 69n/a 34.9n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20611
PNG
(1-[4-(4-ethyl-3-methylpiperazin-1-yl)phenyl]-2-phe...)
Show SMILES CCN1CCN(CC1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C28H33N3O/c1-3-29-17-18-30(20-21(29)2)24-11-9-22(10-12-24)28-27-14-13-26(32)19-23(27)15-16-31(28)25-7-5-4-6-8-25/h4-14,19,21,28,32H,3,15-18,20H2,1-2H3
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n/an/a 38n/a 64n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20612
PNG
(1-[4-(3-ethyl-4-methylpiperazin-1-yl)phenyl]-2-phe...)
Show SMILES CCC1CN(CCN1C)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C28H33N3O/c1-3-23-20-30(18-17-29(23)2)24-11-9-21(10-12-24)28-27-14-13-26(32)19-22(27)15-16-31(28)25-7-5-4-6-8-25/h4-14,19,23,28,32H,3,15-18,20H2,1-2H3
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n/an/a 162n/a 512n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM20615
PNG
(2-(4-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)ph...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccc(F)cc1
Show InChI InChI=1S/C27H29FN2O/c1-29-15-12-20(13-16-29)19-2-4-21(5-3-19)27-26-11-10-25(31)18-22(26)14-17-30(27)24-8-6-23(28)7-9-24/h2-11,18,20,27,31H,12-17H2,1H3
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n/an/a 87n/a 46.1n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
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