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Compile Data Set for Download or QSAR

Found 2779 hits of ic50 for UniProtKB: Q92731   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.0100n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00050-5
BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM19443
PNG
(2-(4-hydroxyphenyl)-3-{4-[2-(piperidin-1-yl)ethoxy...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C27H27NO4S/c29-20-6-4-19(5-7-20)27-26(24-13-8-21(30)18-25(24)33-27)32-23-11-9-22(10-12-23)31-17-16-28-14-2-1-3-15-28/h4-13,18,29-30H,1-3,14-17H2
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n/an/a 0.0500n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 1137-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00145-6
BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471254
PNG
(CHEMBL308234)
Show SMILES CC1=C([C@@H](Oc2cc(OC(=O)C(C)(C)C)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(OC(=O)C(C)(C)C)cc1
Show InChI InChI=1S/C39H47NO6/c1-26-32-20-19-31(45-37(42)39(5,6)7)25-33(32)46-35(34(26)27-11-17-30(18-12-27)44-36(41)38(2,3)4)28-13-15-29(16-14-28)43-24-23-40-21-9-8-10-22-40/h11-20,25,35H,8-10,21-24H2,1-7H3/t35-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Le Centre Hospitalier Universitaire de Qu£bec

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated T-47D cell proliferation.


J Med Chem 40: 2117-22 (1997)


Article DOI: 10.1021/jm970095o
BindingDB Entry DOI: 10.7270/Q2474DKC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471255
PNG
(ACOLBIFENE | Acolbifene | EM-652 | SCH-57068)
Show SMILES CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1
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n/an/a 0.140n/an/an/an/an/an/a



Le Centre Hospitalier Universitaire de Qu£bec

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated T-47D cell proliferation.


J Med Chem 40: 2117-22 (1997)


Article DOI: 10.1021/jm970095o
BindingDB Entry DOI: 10.7270/Q2474DKC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00050-5
BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.200n/an/an/an/an/an/a


TBA

Assay Description
Antagonist effect in breast tissue was assayed by inhibition of estrogen stimulated MCF-7 cell proliferation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ89TP
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.200n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated MCF-7 breast adenocarcinoma cell proliferation


Bioorg Med Chem Lett 13: 1907-10 (2003)


Article DOI: 10.1016/s0960-894x(03)00306-8
BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50238741
PNG
(CHEBI:31638 | FULVESTRANT | Faslodex | Fulvestrant...)
Show SMILES C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)[C@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)Cc1cc(O)ccc31
Show InChI InChI=1S/C32H47F5O3S/c1-30-17-15-26-25-12-11-24(38)21-23(25)20-22(29(26)27(30)13-14-28(30)39)10-7-5-3-2-4-6-8-18-41(40)19-9-16-31(33,34)32(35,36)37/h11-12,21-22,26-29,38-39H,2-10,13-20H2,1H3/t22-,26-,27+,28+,29-,30+,41?/m1/s1
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n/an/a 0.210n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ER-MDA-MB 231 breast cancer cell proliferation over 200 hr


Bioorg Med Chem Lett 14: 4659-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.098
BindingDB Entry DOI: 10.7270/Q29P34DG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50474875
PNG
(CHEMBL185209)
Show SMILES CC\C(=C(\CCCCCCN(C)CCCSCCCC(F)(F)C(F)(F)F)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C31H42F5NO2S/c1-3-28(24-11-15-26(38)16-12-24)29(25-13-17-27(39)18-14-25)10-6-4-5-7-20-37(2)21-9-23-40-22-8-19-30(32,33)31(34,35)36/h11-18,38-39H,3-10,19-23H2,1-2H3/b29-28+
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n/an/a 0.220n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ER-MDA-MB 231 breast cancer cell proliferation over 200 hr


Bioorg Med Chem Lett 14: 4659-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.098
BindingDB Entry DOI: 10.7270/Q29P34DG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471256
PNG
(CHEMBL291808)
Show SMILES CC1=C(C(Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3
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n/an/a 0.243n/an/an/an/an/an/a



Le Centre Hospitalier Universitaire de Qu£bec

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated T-47D cell proliferation.


J Med Chem 40: 2117-22 (1997)


Article DOI: 10.1021/jm970095o
BindingDB Entry DOI: 10.7270/Q2474DKC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471357
PNG
(CHEMBL48021)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C28H26FNO4S/c29-23-16-19(6-11-24(23)32)28-26(22-10-7-20(31)17-25(22)35-28)27(33)18-4-8-21(9-5-18)34-15-14-30-12-2-1-3-13-30/h4-11,16-17,31-32H,1-3,12-15H2
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n/an/a 0.300n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187954
PNG
((S)-9a-ethyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...)
Show SMILES CC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F
Show InChI InChI=1S/C17H14F4N2O/c1-2-16-6-5-11(24)14(17(19,20)21)13(16)8-3-4-10-12(9(8)7-16)15(18)23-22-10/h3-4H,2,5-7H2,1H3,(H,22,23)/t16-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187939
PNG
((S)-9a-butyl-6-ethyl-1-fluoro-8,9,9a,10-tetrahydro...)
Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(CC)C(=O)CC2
Show InChI InChI=1S/C20H23FN2O/c1-3-5-9-20-10-8-16(24)12(4-2)18(20)13-6-7-15-17(14(13)11-20)19(21)23-22-15/h6-7H,3-5,8-11H2,1-2H3,(H,22,23)/t20-/m0/s1
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n/an/a 0.300n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM19441
PNG
(2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO4S/c30-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-29-14-2-1-3-15-29/h4-13,18,30-31H,1-3,14-17H2
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n/an/a 0.340n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 1137-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00145-6
BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50152609
PNG
(7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzofuran-5...)
Show SMILES Oc1cc(Br)c2oc(cc2c1)-c1ccc(O)c(F)c1
Show InChI InChI=1S/C14H8BrFO3/c15-10-6-9(17)3-8-5-13(19-14(8)10)7-1-2-12(18)11(16)4-7/h1-6,17-18H
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n/an/a 0.350n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity for human Estrogen receptor beta


Bioorg Med Chem Lett 14: 4925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.029
BindingDB Entry DOI: 10.7270/Q2TM79K8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276802
PNG
(4-OHT | AFIMOXIFENE | Afimoxifene | TamoGel)
Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1)c1ccccc1
Show InChI InChI=1S/C26H29NO2/c1-4-25(20-8-6-5-7-9-20)26(21-10-14-23(28)15-11-21)22-12-16-24(17-13-22)29-19-18-27(2)3/h5-17,28H,4,18-19H2,1-3H3/b26-25-
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n/an/a 0.5n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50168331
PNG
(3-(2-Fluoro-4-hydroxy-phenyl)-7-hydroxy-naphthalen...)
Show SMILES Oc1ccc(c(F)c1)-c1cc(C#N)c2cc(O)ccc2c1
Show InChI InChI=1S/C17H10FNO2/c18-17-8-14(21)3-4-15(17)11-5-10-1-2-13(20)7-16(10)12(6-11)9-19/h1-8,20-21H
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Inhibition of [3H]-17-beta-estradiol binding to human estrogen receptor beta expressed in Escherichia coli


J Med Chem 48: 3953-79 (2005)


Article DOI: 10.1021/jm058173s
BindingDB Entry DOI: 10.7270/Q2QF8SF0
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50152616
PNG
(4-Bromo-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-...)
Show SMILES COc1cc(O)c(Br)c2cc(oc12)-c1ccc(O)cc1
Show InChI InChI=1S/C15H11BrO4/c1-19-13-7-11(18)14(16)10-6-12(20-15(10)13)8-2-4-9(17)5-3-8/h2-7,17-18H,1H3
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n/an/a 0.5n/an/an/an/an/an/a



Wyeth Research

Curated by ChEMBL


Assay Description
Binding affinity for human Estrogen receptor beta


Bioorg Med Chem Lett 14: 4925-9 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.029
BindingDB Entry DOI: 10.7270/Q2TM79K8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta-estradiol from Estrogen receptor of rabbit uterine tissue


Bioorg Med Chem Lett 12: 17-9 (2002)


Article DOI: 10.1016/s0960-894x(01)00679-5
BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50217538
PNG
(DIHYDRORALOXIFENE)
Show SMILES Oc1ccc(cc1)[C@H]1Sc2cc(O)ccc2[C@@H]1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H29NO4S/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/h4-13,18,26,28,30-31H,1-3,14-17H2/t26-,28-/m1/s1
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n/an/a 0.520n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Inhibition of 17-beta-estradiol (10e-11 M) mediated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 1137-40 (1999)


Article DOI: 10.1016/s0960-894x(99)00145-6
BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471255
PNG
(ACOLBIFENE | Acolbifene | EM-652 | SCH-57068)
Show SMILES CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C29H31NO4/c1-20-26-14-11-24(32)19-27(26)34-29(28(20)21-5-9-23(31)10-6-21)22-7-12-25(13-8-22)33-18-17-30-15-3-2-4-16-30/h5-14,19,29,31-32H,2-4,15-18H2,1H3/t29-/m0/s1
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n/an/a 0.550n/an/an/an/an/an/a



Le Centre Hospitalier Universitaire de Qu£bec

Curated by ChEMBL


Assay Description
Inhibition of estradiol-stimulated ZR-75-1-cell proliferation


J Med Chem 40: 2117-22 (1997)


Article DOI: 10.1021/jm970095o
BindingDB Entry DOI: 10.7270/Q2474DKC
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50459859
PNG
(CHEMBL4228617)
Show SMILES OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1
Show InChI InChI=1S/C27H21FO4/c28-21-11-14-24-25(17-21)32-16-15-23(19-9-12-22(29)13-10-19)27(24)20-7-5-18(6-8-20)3-1-2-4-26(30)31/h1-14,17,29H,15-16H2,(H,30,31)/b3-1+,4-2+
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n/an/a 0.550n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...


J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.579n/an/an/an/an/an/a



Marquette University

Curated by ChEMBL


Assay Description
Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as b...


Eur J Med Chem 157: 791-804 (2018)


Article DOI: 10.1016/j.ejmech.2018.08.006
BindingDB Entry DOI: 10.7270/Q2K64MS7
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50174922
PNG
((5R,6S)-5-(4-(2-((R)-3-methylpyrrolidin-1-yl)ethox...)
Show SMILES C[C@@H]1CCN(CCOc2ccc(cc2)[C@H]2[C@H](CCc3cc(O)ccc23)c2ccccc2)C1
Show InChI InChI=1S/C29H33NO2/c1-21-15-16-30(20-21)17-18-32-26-11-7-23(8-12-26)29-27(22-5-3-2-4-6-22)13-9-24-19-25(31)10-14-28(24)29/h2-8,10-12,14,19,21,27,29,31H,9,13,15-18,20H2,1H3/t21-,27-,29+/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50467908
PNG
(CHEMBL4168797)
Show SMILES CNC(=O)c1ccc2nc(C)c3nnc(-c4cc(OCC(C)C)ccc4Cl)n3c2c1
Show InChI InChI=1S/C22H22ClN5O2/c1-12(2)11-30-15-6-7-17(23)16(10-15)21-27-26-20-13(3)25-18-8-5-14(22(29)24-4)9-19(18)28(20)21/h5-10,12H,11H2,1-4H3,(H,24,29)
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n/an/a 0.631n/an/an/an/an/an/a



Gomez Consulting

Curated by ChEMBL


Assay Description
Antagonist activity at ER-beta (unknown origin)


ACS Med Chem Lett 9: 956-958 (2018)


Article DOI: 10.1021/acsmedchemlett.8b00359
BindingDB Entry DOI: 10.7270/Q22N550R
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=1S/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-/m1/s1
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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
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.670n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Displacement of [3H]17-beta estradiol from GST-fused human recombinant ERbeta ligand binding domain expressed in Escherichia coli BL21alpha cells inc...


Bioorg Med Chem 28: (2020)

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


(Homo sapiens (Human))
BDBM50474892
PNG
(CHEMBL184958)
Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3cc(O)ccc13)sc1cc(O)ccc21
Show InChI InChI=1S/C30H31NO3S/c32-22-8-10-24-21(16-22)17-28-30(25-11-9-23(33)18-27(25)35-28)29(24)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,16,18,26,29,32-34H,1-3,12-15,17H2
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n/an/a 0.700n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferation


Bioorg Med Chem Lett 14: 5103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.072
BindingDB Entry DOI: 10.7270/Q25X2CQ6
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50275964
PNG
(4-{8-Fluoro-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl...)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1
Show InChI InChI=1S/C28H28FNO3/c29-22-7-12-26-27(19-22)33-17-13-25(20-3-8-23(31)9-4-20)28(26)21-5-10-24(11-6-21)32-18-16-30-14-1-2-15-30/h3-12,19,31H,1-2,13-18H2
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n/an/a 0.700n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein labeled estradiol from human recombinant ERbeta expressed in baculovirus infected insect cells by fluorescence polarizati...


Bioorg Med Chem 16: 9554-73 (2008)


Article DOI: 10.1016/j.bmc.2008.09.035
BindingDB Entry DOI: 10.7270/Q2MW2GZ8
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor of rabbit uterine skeletal muscle tissue


Bioorg Med Chem Lett 10: 399-402 (2000)


Article DOI: 10.1016/s0960-894x(00)00015-9
BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50471380
PNG
(CHEMBL44492)
Show SMILES Cc1ccccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO3S/c1-20-7-3-4-8-24(20)29-27(25-14-11-22(31)19-26(25)34-29)28(32)21-9-12-23(13-10-21)33-18-17-30-15-5-2-6-16-30/h3-4,7-14,19,31H,2,5-6,15-18H2,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)ccc34)[C@@H]1CC[C@@H]2O
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue


Bioorg Med Chem Lett 10: 2383-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00474-1
BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Estrogen receptor


(Homo sapiens (Human))
BDBM50474881
PNG
(CHEMBL184285)
Show SMILES CCCCCSCCCN(C)CCCCCC\C(=C(\CC)c1ccc(O)cc1)c1ccc(O)cc1
Show InChI InChI=1S/C31H47NO2S/c1-4-6-11-24-35-25-12-23-32(3)22-10-8-7-9-13-31(27-16-20-29(34)21-17-27)30(5-2)26-14-18-28(33)19-15-26/h14-21,33-34H,4-13,22-25H2,1-3H3/b31-30+
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n/an/a 0.75n/an/an/an/an/an/a



Universit£t Regensburg

Curated by ChEMBL


Assay Description
Inhibition of ER-MDA-MB 231 breast cancer cell proliferation over 200 hr


Bioorg Med Chem Lett 14: 4659-63 (2004)


Article DOI: 10.1016/j.bmcl.2004.06.098
BindingDB Entry DOI: 10.7270/Q29P34DG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50215104
PNG
(CHEMBL43779)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(cc1)C#C
Show InChI InChI=1S/C30H27NO3S/c1-2-21-6-8-23(9-7-21)30-28(26-15-12-24(32)20-27(26)35-30)29(33)22-10-13-25(14-11-22)34-19-18-31-16-4-3-5-17-31/h1,6-15,20,32H,3-5,16-19H2
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n/an/a 0.800n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50215104
PNG
(CHEMBL43779)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(cc1)C#C
Show InChI InChI=1S/C30H27NO3S/c1-2-21-6-8-23(9-7-21)30-28(26-15-12-24(32)20-27(26)35-30)29(33)22-10-13-25(14-11-22)34-19-18-31-16-4-3-5-17-31/h1,6-15,20,32H,3-5,16-19H2
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n/an/a 0.800n/an/an/an/an/an/a


TBA

Assay Description
Antagonist effect in breast tissue was assayed by inhibition of estrogen stimulated MCF-7 cell proliferation


Citation and Details

BindingDB Entry DOI: 10.7270/Q2NZ89TP
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187941
PNG
((S)-9a-butyl-6-(trifluoromethyl)-8,9,9a,10-tetrahy...)
Show SMILES CCCC[C@]12Cc3c(ccc4[nH]ncc34)C1=C(C(=O)CC2)C(F)(F)F
Show InChI InChI=1S/C19H19F3N2O/c1-2-3-7-18-8-6-15(25)17(19(20,21)22)16(18)11-4-5-14-13(10-23-24-14)12(11)9-18/h4-5,10H,2-3,6-9H2,1H3,(H,23,24)/t18-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50471370
PNG
(CHEMBL44940)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1cccc2ccccc12
Show InChI InChI=1S/C32H29NO3S/c34-24-13-16-28-29(21-24)37-32(27-10-6-8-22-7-2-3-9-26(22)27)30(28)31(35)23-11-14-25(15-12-23)36-20-19-33-17-4-1-5-18-33/h2-3,6-16,21,34H,1,4-5,17-20H2
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n/an/a 0.800n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50174923
PNG
((5R,6S)-6-phenyl-5-(4-((S)-2-(pyrrolidin-1-yl)prop...)
Show SMILES C[C@@H](COc1ccc(cc1)[C@H]1[C@H](CCc2cc(O)ccc12)c1ccccc1)N1CCCC1
Show InChI InChI=1S/C29H33NO2/c1-21(30-17-5-6-18-30)20-32-26-13-9-23(10-14-26)29-27(22-7-3-2-4-8-22)15-11-24-19-25(31)12-16-28(24)29/h2-4,7-10,12-14,16,19,21,27,29,31H,5-6,11,15,17-18,20H2,1H3/t21-,27+,29-/m0/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of binding to recombinant human ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 15: 5124-8 (2005)


Article DOI: 10.1016/j.bmcl.2005.08.084
BindingDB Entry DOI: 10.7270/Q2BZ65MS
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187956
PNG
((R)-9a-butyl-6-(trifluoromethyl)-9,9a-dihydroinden...)
Show SMILES CCCC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F
Show InChI InChI=1S/C19H17F3N2O2/c1-2-3-7-18-8-6-13(25)16(19(20,21)22)15(18)10-4-5-12-11(9-23-24-12)14(10)17(18)26/h4-5,9H,2-3,6-8H2,1H3,(H,23,24)/t18-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50474894
PNG
(CHEMBL185412)
Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)C1c2c(Cc3ccc(O)cc13)sc1cc(O)ccc21
Show InChI InChI=1S/C30H31NO3S/c32-22-9-8-21-16-28-30(24-11-10-23(33)18-27(24)35-28)29(25(21)17-22)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,17-18,26,29,32-34H,1-3,12-16H2
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n/an/a 0.900n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferation


Bioorg Med Chem Lett 14: 5103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.072
BindingDB Entry DOI: 10.7270/Q25X2CQ6
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50217393
PNG
(CHEMBL150735)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(SCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H27NO3S2/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 0.900n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
In vitro inhibition of estrogen-stimulated MCF-7 cell proliferation


Bioorg Med Chem Lett 9: 523-8 (1999)


Article DOI: 10.1016/s0960-894x(99)00050-5
BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50218382
PNG
(CHEMBL76909)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3cc(O)cc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-15-17-10-14(21)9-12-5-8-16(19(12)17)18(15)11-3-6-13(20)7-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue


Bioorg Med Chem Lett 10: 2383-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00474-1
BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50218372
PNG
(CHEMBL80124)
Show SMILES CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n23
Show InChI InChI=1S/C18H15NO2/c1-2-13-14-9-10-17(21)15-7-8-16(19(14)15)18(13)11-3-5-12(20)6-4-11/h3-10,20-21H,2H2,1H3
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n/an/a 0.900n/an/an/an/an/an/a



Novo Nordisk A/S

Curated by ChEMBL


Assay Description
Inhibitory activity against Estrogen receptor by displacement of [3H]17-beta-estradiol in ER-rich cytosol from rabbit uterine tissue


Bioorg Med Chem Lett 10: 2383-6 (2000)


Article DOI: 10.1016/s0960-894x(00)00474-1
BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50459856
PNG
(CHEMBL4227113)
Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1
Show InChI InChI=1S/C31H24FNO3/c32-24-13-16-28-29(20-24)36-19-18-27(22-11-14-26(34)15-12-22)31(28)23-9-6-21(7-10-23)8-17-30(35)33-25-4-2-1-3-5-25/h1-17,20,34H,18-19H2,(H,33,35)/b17-8+
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n/an/a 0.940n/an/an/an/an/an/a



Trinity College

Curated by ChEMBL


Assay Description
Displacement of fluorescein-labeled estradiol (fluoromone) from human recombinant full-length estrogen receptor beta after 2 hrs by fluorescence pola...


J Med Chem 61: 514-534 (2018)


Article DOI: 10.1021/acs.jmedchem.6b01917
BindingDB Entry DOI: 10.7270/Q20K2C6G
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50276893
PNG
(CHEMBL1193539)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(Cl)cc1
Show InChI InChI=1S/C28H26ClNO3S/c29-21-8-4-20(5-9-21)28-26(24-13-10-22(31)18-25(24)34-28)27(32)19-6-11-23(12-7-19)33-17-16-30-14-2-1-3-15-30/h4-13,18,31H,1-3,14-17H2
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n/an/a 1n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonism of estrogen action in a mammary tumor cell line was assayed via inhibition of MCF-7 cell proliferation stimulated by 10 e-11 M 17-beta-est...


J Med Chem 40: 146-67 (1997)


Article DOI: 10.1021/jm9606352
BindingDB Entry DOI: 10.7270/Q2PZ5CKJ
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50187968
PNG
((S)-9a-butyl-1-fluoro-6-(trifluoromethyl)-8,9,9a,1...)
Show SMILES CCCC[C@]12Cc3c(ccc4n[nH]c(F)c34)C1=C(C(=O)CC2)C(F)(F)F
Show InChI InChI=1S/C19H18F4N2O/c1-2-3-7-18-8-6-13(26)16(19(21,22)23)15(18)10-4-5-12-14(11(10)9-18)17(20)25-24-12/h4-5H,2-3,6-9H2,1H3,(H,24,25)/t18-/m0/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human ERbeta


Bioorg Med Chem Lett 16: 3896-901 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.036
BindingDB Entry DOI: 10.7270/Q24T6J01
More data for this
Ligand-Target Pair
Estrogen receptor


(Homo sapiens (Human))
BDBM50474886
PNG
(CHEMBL182342)
Show SMILES OC(CCN1CCCCC1)c1ccc(cc1)-c1c2c(cc3ccc(O)cc13)sc1cc(O)ccc21
Show InChI InChI=1S/C30H29NO3S/c32-22-9-8-21-16-28-30(24-11-10-23(33)18-27(24)35-28)29(25(21)17-22)20-6-4-19(5-7-20)26(34)12-15-31-13-2-1-3-14-31/h4-11,16-18,26,32-34H,1-3,12-15H2
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Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist effect against 10 pM 17-beta-estradiol induced MCF-7 cell proliferation


Bioorg Med Chem Lett 14: 5103-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.07.072
BindingDB Entry DOI: 10.7270/Q25X2CQ6
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50154078
PNG
(7-Bromo-2-(4-hydroxy-2-methyl-phenyl)-benzooxazol-...)
Show SMILES Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1
Show InChI InChI=1S/C14H10BrNO3/c1-7-4-8(17)2-3-10(7)14-16-12-6-9(18)5-11(15)13(12)19-14/h2-6,17-18H,1H3
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n/an/a 1n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Inhibition of estrogen receptor beta


J Med Chem 51: 2481-91 (2008)


Article DOI: 10.1021/jm701314u
BindingDB Entry DOI: 10.7270/Q2GX4CF5
More data for this
Ligand-Target Pair
Estradiol receptor beta (ERβ)


(Homo sapiens (Human))
BDBM50190350
PNG
((1S,12R,14R)-5-hydroxy-10-methyl-14-propyltetracyc...)
Show SMILES CCC[C@@H]1C[C@@H]2C[C@]11Cc3cc(O)ccc3C1=C(C)C2=O
Show InChI InChI=1S/C19H22O2/c1-3-4-14-7-13-10-19(14)9-12-8-15(20)5-6-16(12)17(19)11(2)18(13)21/h5-6,8,13-14,20H,3-4,7,9-10H2,1-2H3/t13-,14-,19-/m1/s1
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Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant ERbeta by scintillation proximity assay


Bioorg Med Chem Lett 16: 4462-6 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.043
BindingDB Entry DOI: 10.7270/Q2V124DH
More data for this
Ligand-Target Pair
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