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Compile Data Set for Download or QSAR

Found 87 hits of ph data with Target = 'Estradiol receptor beta (ERβ)'   
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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20629
PNG
(2-(3-fluoro-4-hydroxyphenyl)-1-benzothiophen-6-ol ...)
Show SMILES Oc1ccc2cc(sc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H9FO2S/c15-11-5-8(2-4-12(11)17)13-6-9-1-3-10(16)7-14(9)18-13/h1-7,16-17H
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n/an/a 115n/a 32n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 24n/a 0.0700n/an/a7.422



Novartis Pharmaceuticals



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


J Med Chem 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20628
PNG
(2-(4-hydroxyphenyl)-1-benzothiophen-6-ol | CHEMBL4...)
Show SMILES Oc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C14H10O2S/c15-11-4-1-9(2-5-11)13-7-10-3-6-12(16)8-14(10)17-13/h1-8,15-16H
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n/an/a 114n/a 17n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20617
PNG
(2-(3-hydroxyphenyl)-1-[4-(1-methylpiperidin-4-yl)p...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(O)c1
Show InChI InChI=1S/C27H30N2O2/c1-28-14-11-20(12-15-28)19-5-7-21(8-6-19)27-26-10-9-25(31)17-22(26)13-16-29(27)23-3-2-4-24(30)18-23/h2-10,17-18,20,27,30-31H,11-16H2,1H3
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n/an/a 1.73E+3n/a 496n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20616
PNG
(2-(3-fluorophenyl)-1-[4-(1-methylpiperidin-4-yl)ph...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1cccc(F)c1
Show InChI InChI=1S/C27H29FN2O/c1-29-14-11-20(12-15-29)19-5-7-21(8-6-19)27-26-10-9-25(31)17-22(26)13-16-30(27)24-4-2-3-23(28)18-24/h2-10,17-18,20,27,31H,11-16H2,1H3
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n/an/a 879n/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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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 239n/a 162n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20614
PNG
(1-[4-(1-methylpiperidin-4-yl)phenyl]-2-phenyl-1,2,...)
Show SMILES CN1CCC(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C27H30N2O/c1-28-16-13-21(14-17-28)20-7-9-22(10-8-20)27-26-12-11-25(30)19-23(26)15-18-29(27)24-5-3-2-4-6-24/h2-12,19,21,27,30H,13-18H2,1H3
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n/an/a 266n/a 464n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20613
PNG
(1-[4-(4-methylpiperazin-1-yl)phenyl]-2-phenyl-1,2,...)
Show SMILES CN1CCN(CC1)c1ccc(cc1)C1N(CCc2cc(O)ccc12)c1ccccc1
Show InChI InChI=1S/C26H29N3O/c1-27-15-17-28(18-16-27)22-9-7-20(8-10-22)26-25-12-11-24(30)19-21(25)13-14-29(26)23-5-3-2-4-6-23/h2-12,19,26,30H,13-18H2,1H3
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n/an/a 428n/a 180n/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
Estradiol receptor beta (ERβ)


(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 1.16E+3n/a 4.45E+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 48: 364-79 (2005)


Article DOI: 10.1021/jm040858p
BindingDB Entry DOI: 10.7270/Q2CC0XZJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(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 173n/a 399n/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
Estradiol receptor beta (ERβ)


(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 330n/a 106n/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
Estradiol receptor beta (ERβ)


(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 252n/a 98n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20624
PNG
((1S,10R,11S,14R,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 1.23E+3n/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 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20630
PNG
(2-(4-hydroxy-3-methylphenyl)-1-benzothiophen-6-ol ...)
Show SMILES Cc1cc(ccc1O)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C15H12O2S/c1-9-6-10(3-5-13(9)17)14-7-11-2-4-12(16)8-15(11)18-14/h2-8,16-17H,1H3
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n/an/a 1.83E+3n/a 302n/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
Estradiol receptor beta (ERβ)


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



Novartis Pharmaceuticals



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


J Med Chem 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM20627
PNG
(2-(4-methylphenyl)-1-benzothiophen-6-ol | benzthio...)
Show SMILES Cc1ccc(cc1)-c1cc2ccc(O)cc2s1
Show InChI InChI=1S/C15H12OS/c1-10-2-4-11(5-3-10)14-8-12-6-7-13(16)9-15(12)17-14/h2-9,16H,1H3
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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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM20626
PNG
(2-phenyl-1-benzothiophen-6-ol | benzthiophene comp...)
Show SMILES Oc1ccc2cc(sc2c1)-c1ccccc1
Show InChI InChI=1S/C14H10OS/c15-12-7-6-11-8-13(16-14(11)9-12)10-4-2-1-3-5-10/h1-9,15H
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n/an/a 4.31E+3n/a 166n/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
Estradiol receptor beta (ERβ)


(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 260n/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 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM19459
PNG
(5,7-dihydroxy-3-(4-hydroxyphenyl)-4H-chromen-4-one...)
Show SMILES Oc1ccc(cc1)-c1coc2cc(O)cc(O)c2c1=O
Show InChI InChI=1S/C15H10O5/c16-9-3-1-8(2-4-9)11-7-20-13-6-10(17)5-12(18)14(13)15(11)19/h1-7,16-18H
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n/an/a 200n/a 4.10n/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 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM17289
PNG
((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CCC2=O
Show InChI InChI=1S/C18H22O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-16,19H,2,4,6-9H2,1H3/t14-,15-,16+,18+/m1/s1
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n/an/a 1.14E+3n/a 2.10n/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 45: 1399-401 (2002)


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


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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PubMed
0.170 -55.2n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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PubMed
0.190 -54.9n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.190 -54.9n/an/a 0.660n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 49: 6155-7 (2006)


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


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.190 -54.9n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19986
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-methyl-8-oxatric...)
Show SMILES Cc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O3/c1-11-9-14(21)10-17-15-3-2-4-16(15)19(22-18(11)17)12-5-7-13(20)8-6-12/h5-10,15-16,19-21H,2-4H2,1H3/t15-,16+,19+/m1/s1
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0.260 -54.2n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19987
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Show SMILES COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1
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0.280 -54.0n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19987
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-10-(methoxymethyl)-...)
Show SMILES COCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H22O4/c1-23-11-13-9-15(22)10-18-16-3-2-4-17(16)19(24-20(13)18)12-5-7-14(21)8-6-12/h5-10,16-17,19,21-22H,2-4,11H2,1H3/t16-,17+,19+/m1/s1
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0.280 -54.0n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19967
PNG
(6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...)
Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2
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0.300 -53.8n/an/a 3.18n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 48: 6772-5 (2005)


Article DOI: 10.1021/jm050723z
BindingDB Entry DOI: 10.7270/Q2RR1WHW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19985
PNG
((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-methyl-8-oxatr...)
Show SMILES C[C@@H]1C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1
Show InChI InChI=1S/C19H20O3/c1-11-8-15-16-10-14(21)6-7-18(16)22-19(17(15)9-11)12-2-4-13(20)5-3-12/h2-7,10-11,15,17,19-21H,8-9H2,1H3/t11-,15-,17-,19-/m0/s1
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0.310 -53.7n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19983
PNG
((2R,4R,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2C[C@H](C[C@H]12)C(F)(F)F
Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14+,16+,18+/m1/s1
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0.410 -53.0n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19982
PNG
((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12
Show InChI InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
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0.440 -52.9n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19982
PNG
((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-8-oxat...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(F)(F)C[C@H]12
Show InChI InChI=1S/C18H16F2O3/c19-18(20)8-14-13-7-12(22)5-6-16(13)23-17(15(14)9-18)10-1-3-11(21)4-2-10/h1-7,14-15,17,21-22H,8-9H2/t14-,15-,17-/m0/s1
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0.440 -52.9n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19968
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1
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0.470 -52.7n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19990
PNG
((2R,6S,7R)-4,4-difluoro-7-(4-hydroxyphenyl)-10-(me...)
Show SMILES COCc1cc(O)cc2[C@@H]3CC(F)(F)C[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C20H20F2O4/c1-25-10-12-6-14(24)7-15-16-8-20(21,22)9-17(16)18(26-19(12)15)11-2-4-13(23)5-3-11/h2-7,16-18,23-24H,8-10H2,1H3/t16-,17-,18-/m0/s1
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0.530 -52.4n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19972
PNG
((1R,9R,10S)-9-(4-hydroxyphenyl)-8-oxatricyclo[8.4....)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCC[C@H]12
Show InChI InChI=1S/C19H20O3/c20-13-7-5-12(6-8-13)19-16-4-2-1-3-15(16)17-11-14(21)9-10-18(17)22-19/h5-11,15-16,19-21H,1-4H2/t15-,16+,19+/m1/s1
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0.630 -52.0n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19977
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cccc(O)c2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-9-7-11(8-10-12)18-14-4-1-3-13(14)17-15(20)5-2-6-16(17)21-18/h2,5-10,13-14,18-20H,1,3-4H2/t13-,14+,18+/m1/s1
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0.660 -51.9n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19984
PNG
((2R,4S,6S,7R)-7-(4-hydroxyphenyl)-4-(trifluorometh...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2C[C@@H](C[C@H]12)C(F)(F)F
Show InChI InChI=1S/C19H17F3O3/c20-19(21,22)11-7-14-15-9-13(24)5-6-17(15)25-18(16(14)8-11)10-1-3-12(23)4-2-10/h1-6,9,11,14,16,18,23-24H,7-8H2/t11-,14-,16-,18-/m0/s1
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0.700 -51.7n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19964
PNG
(6-(4-hydroxyphenyl)-5-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Cc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H31NO3/c32-25-9-6-23(7-10-25)28-14-8-24-21-26(33)11-15-29(24)30(28)20-22-4-12-27(13-5-22)34-19-18-31-16-2-1-3-17-31/h4-15,21,32-33H,1-3,16-20H2
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0.700 -51.7n/an/a 1.14n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 48: 6772-5 (2005)


Article DOI: 10.1021/jm050723z
BindingDB Entry DOI: 10.7270/Q2RR1WHW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19988
PNG
((2R,6S,7R)-10-(ethoxymethyl)-7-(4-hydroxyphenyl)-8...)
Show SMILES CCOCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C21H24O4/c1-2-24-12-14-10-16(23)11-19-17-4-3-5-18(17)20(25-21(14)19)13-6-8-15(22)9-7-13/h6-11,17-18,20,22-23H,2-5,12H2,1H3/t17-,18+,20+/m1/s1
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0.745 -51.6n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19973
PNG
((1R,9R,10S)-9-(4-hydroxyphenyl)-8-oxatricyclo[8.5....)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCCCC[C@H]12
Show InChI InChI=1S/C20H22O3/c21-14-8-6-13(7-9-14)20-17-5-3-1-2-4-16(17)18-12-15(22)10-11-19(18)23-20/h6-12,16-17,20-22H,1-5H2/t16-,17+,20+/m1/s1
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0.880 -51.2n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19966
PNG
(6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...)
Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3
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1.36 -50.1n/an/a 10.7n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 48: 6772-5 (2005)


Article DOI: 10.1021/jm050723z
BindingDB Entry DOI: 10.7270/Q2RR1WHW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19969
PNG
((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1
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PubMed
1.54 -49.8n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5563-6 (2007)


Article DOI: 10.1016/j.bmcl.2007.08.009
BindingDB Entry DOI: 10.7270/Q2416VB9
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19969
PNG
((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1
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1.54 -49.8n/an/a 3.61n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 49: 6155-7 (2006)


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


(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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2.74 -48.4n/an/a 4.32n/an/a7.522



Lilly Research Laboratories



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


J Med Chem 48: 6772-5 (2005)


Article DOI: 10.1021/jm050723z
BindingDB Entry DOI: 10.7270/Q2RR1WHW
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19989
PNG
((2R,6S,7R)-10-(hydroxymethyl)-7-(4-hydroxyphenyl)-...)
Show SMILES OCc1cc(O)cc2[C@@H]3CCC[C@@H]3[C@@H](Oc12)c1ccc(O)cc1
Show InChI InChI=1S/C19H20O4/c20-10-12-8-14(22)9-17-15-2-1-3-16(15)18(23-19(12)17)11-4-6-13(21)7-5-11/h4-9,15-16,18,20-22H,1-3,10H2/t15-,16+,18+/m1/s1
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PubMed
5.97 -46.5n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 5082-5 (2007)


Article DOI: 10.1016/j.bmcl.2007.07.009
BindingDB Entry DOI: 10.7270/Q27S7M2Q
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19979
PNG
((2R,6S,7R)-12-hydroxy-7-(4-hydroxyphenyl)-8-oxatri...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CC(=O)C[C@H]12
Show InChI InChI=1S/C18H16O4/c19-11-3-1-10(2-4-11)18-16-9-13(21)8-14(16)15-7-12(20)5-6-17(15)22-18/h1-7,14,16,18-20H,8-9H2/t14-,16-,18-/m0/s1
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6.92 -46.1n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19981
PNG
((1S,9S,10R)-4-hydroxy-9-(4-hydroxyphenyl)-8-oxatri...)
Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC(=O)C[C@@H]12
Show InChI InChI=1S/C19H18O4/c20-12-3-1-11(2-4-12)19-17-10-13(21)5-7-15(17)16-9-14(22)6-8-18(16)23-19/h1-4,6,8-9,15,17,19-20,22H,5,7,10H2/t15-,17-,19-/m1/s1
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10.2 -45.2n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 4824-8 (2007)


Article DOI: 10.1016/j.bmcl.2007.06.052
BindingDB Entry DOI: 10.7270/Q2CJ8BRK
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19975
PNG
((2R,6S,7R)-7-(3-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1cccc(c1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-4-1-3-11(9-12)18-15-6-2-5-14(15)16-10-13(20)7-8-17(16)21-18/h1,3-4,7-10,14-15,18-20H,2,5-6H2/t14-,15+,18+/m1/s1
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18.5 -43.7n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19978
PNG
((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...)
Show SMILES Oc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2[C@@H]2CCC[C@H]12
Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-16-3-1-2-14(16)15-9-8-13(20)10-17(15)21-18/h4-10,14,16,18-20H,1-3H2/t14-,16-,18-/m0/s1
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18.9 -43.6n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM19970
PNG
((2S)-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyr...)
Show SMILES Oc1ccc(cc1)[C@@H]1CCc2cc(O)ccc2O1
Show InChI InChI=1S/C15H14O3/c16-12-4-1-10(2-5-12)14-7-3-11-9-13(17)6-8-15(11)18-14/h1-2,4-6,8-9,14,16-17H,3,7H2/t14-/m0/s1
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20.8 -43.4n/an/an/an/an/a7.522



Lilly Research Laboratories



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


Bioorg Med Chem Lett 17: 3570-4 (2007)


Article DOI: 10.1016/j.bmcl.2007.04.051
BindingDB Entry DOI: 10.7270/Q2H70D30
More data for this
Ligand-Target Pair
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