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16 similar compounds to monomer 50187240

Compile data set for download or QSAR
Wt: 471.5
BDBM50187236
Wt: 639.7
BDBM50187238
Wt: 471.5
BDBM50187241
Wt: 499.5
BDBM50310372
Wt: 485.5
BDBM50310381
Wt: 485.5
BDBM50310388
Wt: 469.5
BDBM50310392
Wt: 499.5
BDBM50310393
Wt: 469.5
BDBM50310402
Wt: 499.5
BDBM50310403
Wt: 469.5
BDBM50310406
Wt: 499.5
BDBM50310407
Wt: 469.5
BDBM50310414
Wt: 513.6
BDBM50310420
Wt: 513.6
BDBM50310424
Displayed 1 to 15 (of 16 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 57 hits for monomerid = 50187236,50187238,50187241,50310372,50310381,50310388,50310392,50310393,50310402,50310403,50310406,50310407,50310414,50310420,50310424   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187238
PNG
(2,2-dimethyl-propionic acid (S)-8-(2,2-dimethyl-pr...)
Show SMILES CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C39H45NO7/c1-38(2,3)36(41)45-27-15-17-30-32(22-27)44-24-31-29-16-14-28(46-37(42)39(4,5)6)23-33(29)47-35(34(30)31)25-10-12-26(13-11-25)43-21-20-40-18-8-7-9-19-40/h10-17,22-23,35H,7-9,18-21,24H2,1-6H3/t35-/m0/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310372
PNG
((R)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50187238
PNG
(2,2-dimethyl-propionic acid (S)-8-(2,2-dimethyl-pr...)
Show SMILES CC(C)(C)C(=O)Oc1ccc2C3=C(COc2c1)c1ccc(OC(=O)C(C)(C)C)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C39H45NO7/c1-38(2,3)36(41)45-27-15-17-30-32(22-27)44-24-31-29-16-14-28(46-37(42)39(4,5)6)23-33(29)47-35(34(30)31)25-10-12-26(13-11-25)43-21-20-40-18-8-7-9-19-40/h10-17,22-23,35H,7-9,18-21,24H2,1-6H3/t35-/m0/s1
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n/an/a>1.00E+3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187241
PNG
((R)-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,11-di...)
Show SMILES Oc1ccc2C3=C(COc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO5/c31-20-7-11-24-26(16-20)34-18-25-23-10-6-21(32)17-27(23)35-29(28(24)25)19-4-8-22(9-5-19)33-15-14-30-12-2-1-3-13-30/h4-11,16-17,29,31-32H,1-3,12-15,18H2/t29-/m1/s1
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n/an/a 20.3n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50187236
PNG
((S)-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,11-di...)
Show SMILES Oc1ccc2C3=C(COc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO5/c31-20-7-11-24-26(16-20)34-18-25-23-10-6-21(32)17-27(23)35-29(28(24)25)19-4-8-22(9-5-19)33-15-14-30-12-2-1-3-13-30/h4-11,16-17,29,31-32H,1-3,12-15,18H2/t29-/m0/s1
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n/an/a 0.610n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERalpha


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187236
PNG
((S)-5-[4-(2-piperidin-1-yl-ethoxy)-phenyl]-5,11-di...)
Show SMILES Oc1ccc2C3=C(COc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO5/c31-20-7-11-24-26(16-20)34-18-25-23-10-6-21(32)17-27(23)35-29(28(24)25)19-4-8-22(9-5-19)33-15-14-30-12-2-1-3-13-30/h4-11,16-17,29,31-32H,1-3,12-15,18H2/t29-/m0/s1
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n/an/a 1.30n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development LLC

Curated by ChEMBL


Assay Description
Binding affinity to ERbeta


J Med Chem 49: 3056-9 (2006)


Article DOI: 10.1021/jm060353u
BindingDB Entry DOI: 10.7270/Q2G73D9H
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310372
PNG
((R)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310388
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 21n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310392
PNG
(5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310393
PNG
((S)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 24n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310402
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 63n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310403
PNG
((S)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 63n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310406
PNG
(5R-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydr...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 99n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310407
PNG
((R)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 99n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310414
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310420
PNG
(1-{2-[4-((S)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-d...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
Show InChI InChI=1/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310388
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 1.10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 3.40n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310392
PNG
(5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 4.20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310393
PNG
((S)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 4.20n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310406
PNG
(5R-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydr...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 5.80n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310424
PNG
(1-{2-[4-((R)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-d...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
Show InChI InChI=1/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/s2
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n/an/a 64n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310414
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 100n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310420
PNG
(1-{2-[4-((S)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-d...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
Show InChI InChI=1/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Displacement of radiolabeled estrogen from estrogen receptor alpha by scintillation counting


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 31n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Inhibition of fluormone ES2 binding to estrogen receptor beta after 1 hr by fluorescence polarization assay


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310388
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 0.200n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310402
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 25.9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310403
PNG
((S)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 25.9n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 32n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310406
PNG
(5R-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydr...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 76n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310407
PNG
((R)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 76n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310392
PNG
(5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310393
PNG
((S)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310414
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 259n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310372
PNG
((R)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 259n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310424
PNG
(1-{2-[4-((R)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-d...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
Show InChI InChI=1/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/s2
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n/an/a 1.74E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310420
PNG
(1-{2-[4-((S)-2,8-Dimethoxy-11,12-dihydro-5H-6,13-d...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC)cc1OCC3
Show InChI InChI=1/C32H35NO5/c1-34-24-11-13-28-29(20-24)37-18-14-27-26-12-10-25(35-2)21-30(26)38-32(31(27)28)22-6-8-23(9-7-22)36-19-17-33-15-4-3-5-16-33/h6-13,20-21,32H,3-5,14-19H2,1-2H3/t32-/s2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human Ishikawa cells assessed as 17beta-estradiol-induced alkaline phosphatase activity after 3 days by c...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310414
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310372
PNG
((R)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310388
PNG
((R)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 11n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310402
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccccc1OCC3
Show InChI InChI=1/C30H31NO4/c32-22-10-13-24-25-14-18-34-27-7-3-2-6-26(27)29(25)30(35-28(24)20-22)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310403
PNG
((S)-8-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-25-26-13-17-36-28-19-22(33)7-11-27(28)30(26)31(37-29(25)20-24)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 150n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310381
PNG
((S)-5-[4-(2-Piperidin-1-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C30H31NO5/c32-21-7-11-26-27(18-21)35-16-12-25-24-10-6-22(33)19-28(24)36-30(29(25)26)20-4-8-23(9-5-20)34-17-15-31-13-2-1-3-14-31/h4-11,18-19,30,32-33H,1-3,12-17H2/t30-/s2
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n/an/a 174n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310406
PNG
(5R-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-dihydr...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 1.21E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310407
PNG
((R)-2-Methoxy-5-[4-(2-piperidin-1-yl-ethoxy)-pheny...)
Show SMILES COc1ccc2C3=C(CCOc2c1)c1ccc(O)cc1O[C@@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C31H33NO5/c1-34-24-10-12-27-28(20-24)36-17-13-26-25-11-7-22(33)19-29(25)37-31(30(26)27)21-5-8-23(9-6-21)35-18-16-32-14-3-2-4-15-32/h5-12,19-20,31,33H,2-4,13-18H2,1H3/t31-/s2
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n/an/a 1.21E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50310392
PNG
(5S-(+)-[4-(2-piperidin-1-ylethoxy)phenyl]-11,12-di...)
Show SMILES Oc1ccc2C3=C(CCOc2c1)c1ccccc1O[C@H]3c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1/C30H31NO4/c32-22-10-13-26-28(20-22)34-18-14-25-24-6-2-3-7-27(24)35-30(29(25)26)21-8-11-23(12-9-21)33-19-17-31-15-4-1-5-16-31/h2-3,6-13,20,30,32H,1,4-5,14-19H2/t30-/s2
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n/an/a 1.24E+3n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development LLC

Curated by ChEMBL


Assay Description
Antagonist activity at estrogen receptor in human MCF7 cells assessed as 17beta-estradiol-induced cell proliferation after 24 hrs by [14C]thymidine i...


J Med Chem 52: 7544-69 (2009)


Article DOI: 10.1021/jm900146e
BindingDB Entry DOI: 10.7270/Q27D2V8M
More data for this
Ligand-Target Pair
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