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Compile Data Set for Download or QSAR

Found 356 hits of ic50 for UniProtKB: P03372   
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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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



Lilly Research Laboratories

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(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



Lilly Research Laboratories

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)


BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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 |r,t:1|
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 beta


(Homo sapiens (Human))		BDBM50471255
PNG
(Acolbifene | EM-652 | SCH-57068)
Show SMILES CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 |t:1|
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 beta


(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



Lilly Research Laboratories

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(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 beta


(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 beta


(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



Lilly Research Laboratories

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q2K35T16
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50238741
PNG
(CHEBI:31638 | Faslodex | Fulvestrant | ICI-182780 ...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3C[C@@H](CCCCCCCCC[S+]([O-])CCCC(F)(F)C(F)(F)F)[C@@]21[H]
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 beta


(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 beta


(Homo sapiens (Human))		BDBM50471256
PNG
(CHEMBL291808)
Show SMILES CC1=C(C(Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 |t:1|
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 beta


(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
Estrogen receptor beta


(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



Lilly Research Laboratories

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)


BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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)


BindingDB Entry DOI: 10.7270/Q2X350NF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | 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
Estrogen receptor beta


(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



Lilly Research Laboratories

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)


BindingDB Entry DOI: 10.7270/Q2F76FQ4
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50471255
PNG
(Acolbifene | EM-652 | SCH-57068)
Show SMILES CC1=C([C@@H](Oc2cc(O)ccc12)c1ccc(OCCN2CCCCC2)cc1)c1ccc(O)cc1 |t:1|
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 beta


(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 beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
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)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(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 beta


(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
Estrogen receptor beta


(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
Estrogen receptor beta


(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 beta


(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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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)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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 beta


(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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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)


BindingDB Entry DOI: 10.7270/Q28G8NWG
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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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Lilly Research Laboratories

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50471377
PNG
(CHEMBL43775)
Show SMILES Cc1cc(ccc1O)-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4S/c1-19-17-21(7-12-25(19)32)29-27(24-11-8-22(31)18-26(24)35-29)28(33)20-5-9-23(10-6-20)34-16-15-30-13-3-2-4-14-30/h5-12,17-18,31-32H,2-4,13-16H2,1H3
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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
Estrogen receptor beta


(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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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 beta


(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
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50084948
PNG
(CHEMBL195515 | GW7604)
Show SMILES CC\C(=C(/c1ccc(O)cc1)c1ccc(\C=C\C(O)=O)cc1)c1ccccc1
Show InChI InChI=1S/C25H22O3/c1-2-23(19-6-4-3-5-7-19)25(21-13-15-22(26)16-14-21)20-11-8-18(9-12-20)10-17-24(27)28/h3-17,26H,2H2,1H3,(H,27,28)/b17-10+,25-23+
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n/an/a 1.30n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
pIC50 for 1 nM estradiol-induced Ishikawa cell proliferation

J Med Chem 48: 2243-7 (2005)


Article DOI: 10.1021/jm040154f
BindingDB Entry DOI: 10.7270/Q24T6N42
More data for this
Ligand-Target Pair
Estrogen receptor beta


(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 |r,t:1|
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 1.30n/an/an/an/an/an/a



Le Centre Hospitalier Universitaire de Qu£bec

Curated by ChEMBL


Assay Description
Stimulation of alkaline phosphatase activity in human endometrial Ishikawa cells with 1 nM E2 estradiol

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 beta


(Homo sapiens (Human))		BDBM50474884
PNG
(CHEMBL184074 | ZK-164015)
Show SMILES CCCCCS(=O)(=O)CCCCCCCCCCn1c(c(C)c2cc(O)ccc12)-c1ccc(O)cc1
Show InChI InChI=1S/C30H43NO4S/c1-3-4-12-21-36(34,35)22-13-10-8-6-5-7-9-11-20-31-29-19-18-27(33)23-28(29)24(2)30(31)25-14-16-26(32)17-15-25/h14-19,23,32-33H,3-13,20-22H2,1-2H3
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n/an/a 1.40n/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 beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



University of Colorado

Curated by ChEMBL


Assay Description
Inhibition of [3H]E2 binding to estrogen receptor alpha in MCF-7 cell lysate

J Med Chem 47: 1193-206 (2004)


Article DOI: 10.1021/jm030352r
BindingDB Entry DOI: 10.7270/Q2M61P0X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM17292
PNG
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1
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n/an/a 1.60n/an/an/an/an/an/a



Kyowa Hakko Kogyo Co., Ltd

Curated by ChEMBL


Assay Description
Binding affinity for estrogen receptor, by competition with [3H]estradiol

J Med Chem 39: 3461-9 (1996)


Article DOI: 10.1021/jm950938g
BindingDB Entry DOI: 10.7270/Q2ZP48V7
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50276802
PNG
(4-OHT | 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 1.60n/an/an/an/an/an/a



GlaxoSmithKline Research & Development

Curated by ChEMBL


Assay Description
pIC50 for 1 nM estradiol-induced Ishikawa cell proliferation

J Med Chem 48: 2243-7 (2005)


Article DOI: 10.1021/jm040154f
BindingDB Entry DOI: 10.7270/Q24T6N42
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50471367
PNG
(CHEMBL44158)
Show SMILES COc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO5S/c1-34-25-17-20(31)7-11-23(25)29-27(24-12-8-21(32)18-26(24)36-29)28(33)19-5-9-22(10-6-19)35-16-15-30-13-3-2-4-14-30/h5-12,17-18,31-32H,2-4,13-16H2,1H3
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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 beta


(Homo sapiens (Human))		BDBM50471394
PNG
(CHEMBL44633)
Show SMILES Cc1cc(O)ccc1-c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1
Show InChI InChI=1S/C29H29NO4S/c1-19-17-21(31)7-11-24(19)29-27(25-12-8-22(32)18-26(25)35-29)28(33)20-5-9-23(10-6-20)34-16-15-30-13-3-2-4-14-30/h5-12,17-18,31-32H,2-4,13-16H2,1H3
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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 beta


(Homo sapiens (Human))		BDBM50471392
PNG
(CHEMBL48079)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)c2ccccc12
Show InChI InChI=1S/C32H29NO4S/c34-22-10-13-27-29(20-22)38-32(26-14-15-28(35)25-7-3-2-6-24(25)26)30(27)31(36)21-8-11-23(12-9-21)37-19-18-33-16-4-1-5-17-33/h2-3,6-15,20,34-35H,1,4-5,16-19H2
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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 beta


(Homo sapiens (Human))		BDBM50471382
PNG
(CHEMBL64692)
Show SMILES O[C@H]1CC[C@@H](CC1)c1sc2cc(O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1 |wU:4.7,wD:1.0,(21.83,-10.84,;20.31,-10.91,;19.49,-9.51,;17.97,-9.57,;17.23,-10.91,;18,-12.22,;19.51,-12.22,;15.66,-10.91,;14.77,-12.19,;13.28,-11.74,;11.97,-12.51,;10.59,-11.74,;9.27,-12.52,;10.59,-10.2,;11.9,-9.41,;13.25,-10.15,;14.73,-9.7,;15.21,-8.18,;16.72,-7.89,;14.15,-7.09,;14.61,-5.61,;13.57,-4.47,;12.06,-4.81,;11,-3.69,;9.5,-4.01,;8.45,-2.89,;6.94,-3.21,;5.9,-2.09,;4.4,-2.41,;3.91,-3.89,;5,-4.97,;6.48,-4.69,;11.58,-6.29,;12.65,-7.38,)|
Show InChI InChI=1S/C28H33NO4S/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/h6-7,10-13,18,20-21,30-31H,1-5,8-9,14-17H2/t20-,21-
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n/an/a 2n/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 beta


(Homo sapiens (Human))		BDBM50217396
PNG
(CHEMBL150492)
Show SMILES Oc1ccc(cc1)-c1sc2cc(O)ccc2c1C(=O)c1ccc(NCCN2CCCCC2)cc1
Show InChI InChI=1S/C28H28N2O3S/c31-22-10-6-20(7-11-22)28-26(24-13-12-23(32)18-25(24)34-28)27(33)19-4-8-21(9-5-19)29-14-17-30-15-2-1-3-16-30/h4-13,18,29,31-32H,1-3,14-17H2
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n/an/a 2n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


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

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


BindingDB Entry DOI: 10.7270/Q22Z17R1
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50471384
PNG
(CHEMBL540790)
Show SMILES Cl.Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(F)cc1
Show InChI InChI=1S/C28H26FNO3S/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 2.30n/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 beta


(Homo sapiens (Human))		BDBM50471374
PNG
(CHEMBL47821)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccc(O)c(Cl)c1
Show InChI InChI=1S/C28H26ClNO4S/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 2.30n/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 beta


(Homo sapiens (Human))		BDBM50474885
PNG
(CHEMBL360872)
Show SMILES Oc1ccc2C(c3ccc(OCCN4CCCCC4)cc3)c3c(Cc2c1)ccc1cc(O)ccc31
Show InChI InChI=1S/C31H31NO3/c33-25-8-12-28-22(19-25)4-5-23-18-24-20-26(34)9-13-29(24)30(31(23)28)21-6-10-27(11-7-21)35-17-16-32-14-2-1-3-15-32/h4-13,19-20,30,33-34H,1-3,14-18H2
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n/an/a 2.40n/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 beta


(Homo sapiens (Human))		BDBM50218560
PNG
(CHEBI:34857 | Metoxiestrol | Moxestrol | R-2858)
Show SMILES [H][C@@]12CC[C@@](O)(C#C)[C@@]1(C)C[C@H](OC)[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]
Show InChI InChI=1S/C21H26O3/c1-4-21(23)10-9-17-16-7-5-13-11-14(22)6-8-15(13)19(16)18(24-3)12-20(17,21)2/h1,6,8,11,16-19,22-23H,5,7,9-10,12H2,2-3H3/t16-,17-,18-,19+,20-,21-/m0/s1
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n/an/a 2.5n/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)


BindingDB Entry DOI: 10.7270/Q2RF5X6P
More data for this
Ligand-Target Pair
Estrogen receptor beta


(Homo sapiens (Human))		BDBM50471383
PNG
(CHEMBL556034)
Show SMILES Cl.Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1ccccc1
Show InChI InChI=1S/C28H27NO3S/c30-22-11-14-24-25(19-22)33-28(21-7-3-1-4-8-21)26(24)27(31)20-9-12-23(13-10-20)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,30H,2,5-6,15-18H2
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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 beta


(Homo sapiens (Human))		BDBM50471362
PNG
(CHEMBL47944)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)C1CCCCC1
Show InChI InChI=1S/C28H33NO3S/c30-22-11-14-24-25(19-22)33-28(21-7-3-1-4-8-21)26(24)27(31)20-9-12-23(13-10-20)32-18-17-29-15-5-2-6-16-29/h9-14,19,21,30H,1-8,15-18H2
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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 beta


(Homo sapiens (Human))		BDBM50471372
PNG
(CHEMBL295111)
Show SMILES Oc1ccc2c(C(=O)c3ccc(OCCN4CCCCC4)cc3)c(sc2c1)-c1cccc(F)c1
Show InChI InChI=1S/C28H26FNO3S/c29-21-6-4-5-20(17-21)28-26(24-12-9-22(31)18-25(24)34-28)27(32)19-7-10-23(11-8-19)33-16-15-30-13-2-1-3-14-30/h4-12,17-18,31H,1-3,13-16H2
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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
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