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44 similar compounds to monomer 50187241

Compile data set for download or QSAR
Wt: 471.5
BDBM50187236
Wt: 639.7
BDBM50187238
Wt: 639.7
BDBM50187240
Wt: 499.5
BDBM50310370
Wt: 499.5
BDBM50310372
Wt: 471.5
BDBM50310373
Wt: 487.5
BDBM50310374
Wt: 445.5
BDBM50310377
Wt: 499.5
BDBM50310379
Wt: 471.5
BDBM50310380
Wt: 485.5
BDBM50310381
Wt: 501.6
BDBM50310383
Wt: 499.5
BDBM50310384
Wt: 499.5
BDBM50310385
Wt: 499.5
BDBM50310386
Displayed 1 to 15 (of 44 total )  |  Next  |  Last  >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 58 hits for monomerid = 50187236,50187238,50187240,50310370,50310372,50310373,50310374,50310377,50310379,50310380,50310381,50310383,50310384,50310385,50310386   
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))
BDBM50310377
PNG
((S)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
Show InChI InChI=1/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/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
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
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))
BDBM50187240
PNG
(2,2-Dimethyl-propionic acid (R)-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-/m1/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310370
PNG
(1-{2-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/s2
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n/an/a 0.640n/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))
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))
BDBM50310373
PNG
((S)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 8.70n/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))
BDBM50310374
PNG
((S)-5-[4-(2-Morpholin-4-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCOCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO6/c31-20-4-8-25-26(17-20)35-13-9-24-23-7-3-21(32)18-27(23)36-29(28(24)25)19-1-5-22(6-2-19)34-16-12-30-10-14-33-15-11-30/h1-8,17-18,29,31-32H,9-16H2/t29-/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
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))
BDBM50310377
PNG
((S)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
Show InChI InChI=1/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/s2
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n/an/a 12n/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))
BDBM50310379
PNG
((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 13.4n/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
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50310380
PNG
((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 14n/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))
BDBM50310383
PNG
(5S-(-)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...)
Show SMILES CC(C)N(CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C
Show InChI InChI=1/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/s2
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n/an/a 18.5n/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))
BDBM50310384
PNG
(1-{2-[4-((S)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/s2
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n/an/a 18.6n/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))
BDBM50310385
PNG
((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/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
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))
BDBM50310386
PNG
((S)-5-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-18-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-17-4-16-32-14-2-1-3-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/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
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))
BDBM50310380
PNG
((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 1.20n/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))
BDBM50310385
PNG
((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 2.20n/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))
BDBM50310379
PNG
((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 2.40n/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))
BDBM50310373
PNG
((S)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 2.5n/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))
BDBM50310370
PNG
(1-{2-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/s2
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n/an/a 4.80n/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))
BDBM50310383
PNG
(5S-(-)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...)
Show SMILES CC(C)N(CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C
Show InChI InChI=1/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/s2
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n/an/a 5.60n/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))
BDBM50310386
PNG
((S)-5-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-18-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-17-4-16-32-14-2-1-3-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 55n/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))
BDBM50310380
PNG
((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/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 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))
BDBM50310383
PNG
(5S-(-)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...)
Show SMILES CC(C)N(CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C
Show InChI InChI=1/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/s2
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n/an/a 35n/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))
BDBM50310385
PNG
((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 41n/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))
BDBM50310379
PNG
((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 128n/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))
BDBM50310373
PNG
((S)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 165n/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))
BDBM50310377
PNG
((S)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
Show InChI InChI=1/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/s2
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n/an/a 405n/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))
BDBM50310386
PNG
((S)-5-[4-(3-Piperidin-1-yl-propoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCCN2CCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-18-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-17-4-16-32-14-2-1-3-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 590n/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))
BDBM50310374
PNG
((S)-5-[4-(2-Morpholin-4-yl-ethoxy)-phenyl]-11,12-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCOCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO6/c31-20-4-8-25-26(17-20)35-13-9-24-23-7-3-21(32)18-27(23)36-29(28(24)25)19-1-5-22(6-2-19)34-16-12-30-10-14-33-15-11-30/h1-8,17-18,29,31-32H,9-16H2/t29-/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))
BDBM50310370
PNG
(1-{2-[4-((R)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/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))
BDBM50310384
PNG
(1-{2-[4-((S)-2,8-Dihydroxy-11,12-dihydro-5H-6,13-d...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2C(=O)CCC2=O)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H25NO7/c31-18-4-8-23-24(15-18)36-13-11-22-21-7-3-19(32)16-25(21)37-29(28(22)23)17-1-5-20(6-2-17)35-14-12-30-26(33)9-10-27(30)34/h1-8,15-16,29,31-32H,9-14H2/t29-/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))
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))
BDBM50310380
PNG
((R)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/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))
BDBM50310385
PNG
((R)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 217n/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))
BDBM50310379
PNG
((S)-5-[4-(2-Azepan-1-yl-ethoxy)-phenyl]-11,12-dihy...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C31H33NO5/c33-22-8-12-27-28(19-22)36-17-13-26-25-11-7-23(34)20-29(25)37-31(30(26)27)21-5-9-24(10-6-21)35-18-16-32-14-3-1-2-4-15-32/h5-12,19-20,31,33-34H,1-4,13-18H2/t31-/s2
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n/an/a 401n/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))
BDBM50310383
PNG
(5S-(-)-[4-(2-diisopropylaminoethoxy)phenyl]-11,12-...)
Show SMILES CC(C)N(CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2)C(C)C
Show InChI InChI=1/C31H35NO5/c1-19(2)32(20(3)4)14-16-35-24-9-5-21(6-10-24)31-30-26(25-11-7-23(34)18-29(25)37-31)13-15-36-28-17-22(33)8-12-27(28)30/h5-12,17-20,31,33-34H,13-16H2,1-4H3/t31-/s2
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n/an/a 424n/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))
BDBM50310377
PNG
((S)-5-[4-(2-Dimethylamino-ethoxy)-phenyl]-11,12-di...)
Show SMILES CN(C)CCOc1ccc(cc1)[C@@H]1Oc2cc(O)ccc2C2=C1c1ccc(O)cc1OCC2
Show InChI InChI=1/C27H27NO5/c1-28(2)12-14-31-20-7-3-17(4-8-20)27-26-22(21-9-5-19(30)16-25(21)33-27)11-13-32-24-15-18(29)6-10-23(24)26/h3-10,15-16,27,29-30H,11-14H2,1-2H3/t27-/s2
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n/an/a 687n/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))
BDBM50310373
PNG
((S)-5-[4-(2-Pyrrolidin-1-yl-ethoxy)-phenyl]-11,12-...)
Show SMILES Oc1ccc2C3=C([C@@H](Oc2c1)c1ccc(OCCN2CCCC2)cc1)c1ccc(O)cc1OCC3
Show InChI InChI=1/C29H29NO5/c31-20-6-10-25-26(17-20)34-15-11-24-23-9-5-21(32)18-27(23)35-29(28(24)25)19-3-7-22(8-4-19)33-16-14-30-12-1-2-13-30/h3-10,17-18,29,31-32H,1-2,11-16H2/t29-/s2
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n/an/a 688n/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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