Found 2909 hits of ic50 for UniProtKB: Q92731 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| PDB
PubMed
| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description
Antagonist activity at ERbeta (unknown origin) by cell-based assay |
Bioorg Med Chem 22: 303-10 (2014)
Article DOI: 10.1016/j.bmc.2013.11.024
BindingDB Entry DOI: 10.7270/Q2FF3WBH |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19443
(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 | PDB
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| n/a | n/a | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| Article
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| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50471254
(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 | PDB
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| Article
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| n/a | n/a | 0.140 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19441
(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 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19441
(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 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19441
(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 | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50238741
(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 | PDB
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| PC cid
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| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/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
(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+ | PDB
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| PC cid
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| n/a | n/a | 0.220 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| Article
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| n/a | n/a | 0.243 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50187954
((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 |c:17| 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 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50187939
((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 |t:19| 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 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50238741
(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 | PDB
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TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00008
BindingDB Entry DOI: 10.7270/Q2PK0M8Q |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.bmcl.2022.128906
BindingDB Entry DOI: 10.7270/Q2S186FF |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50471357
(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 | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 0.340 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50152609
(7-Bromo-2-(3-fluoro-4-hydroxy-phenyl)-benzofuran-5...)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 | PDB
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| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50168331
(3-(2-Fluoro-4-hydroxy-phenyl)-7-hydroxy-naphthalen...)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 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50152616
(4-Bromo-2-(4-hydroxy-phenyl)-7-methoxy-benzofuran-...)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 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50276802
(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- | PDB
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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)) | BDBM50217538
(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 | PDB
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| n/a | n/a | 0.520 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 0.550 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50459859
(CHEMBL4228617)Show SMILES OC(=O)\C=C\C=C\c1ccc(cc1)C1=C(CCOc2cc(F)ccc12)c1ccc(O)cc1 |t:14| 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+ | PDB
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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 beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| n/a | n/a | 0.579 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50174922
((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 | PDB
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| n/a | n/a | 0.600 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50467908
(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) | PDB
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| n/a | n/a | 0.631 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50310370
(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 |r,c:5| 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 | PDB
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| n/a | n/a | 0.640 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| n/a | n/a | 0.670 | n/a | n/a | n/a | n/a | n/a | n/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)
Article DOI: 10.1016/j.bmc.2019.115274
BindingDB Entry DOI: 10.7270/Q2XD157Q |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50474892
(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 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50275964
(4-{8-Fluoro-5-[4-(2-pyrrolidin-1-yl-ethoxy)-phenyl...)Show SMILES Oc1ccc(cc1)C1=C(c2ccc(OCCN3CCCC3)cc2)c2ccc(F)cc2OCC1 |c:8| 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 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50471380
(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 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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
((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 | PDB
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| n/a | n/a | 0.700 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50474881
(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+ | PDB
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| n/a | n/a | 0.75 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50187941
((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 |c:18| 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 | PDB
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50471370
(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 | PDB
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| PC cid
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| Article
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| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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
(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 | PDB
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| | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50586400
(CHEMBL5086315)Show SMILES CCC(=C(c1ccc(O)cc1)c1ccc(\C=C\C(=O)NCCCCNC(=O)CCCCCCCn2c(=S)[nH]c3ccccc3c2=O)cc1)c1ccccc1 | PDB
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| Article
PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| Assay Description
Displacement of fluorescent-labeled E2 from LBD of ERbeta (unknown origin) by TR-FRET assay |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.0c02230
BindingDB Entry DOI: 10.7270/Q26H4N92 |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((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 | PDB
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| PDB
Article
PubMed
| n/a | n/a | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1016/j.ejmech.2021.113869
BindingDB Entry DOI: 10.7270/Q2K0788F |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50474894
(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 | PDB
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| PC cid
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| Article
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50174923
((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 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50187956
((R)-9a-butyl-6-(trifluoromethyl)-9,9a-dihydroinden...)Show SMILES CCCC[C@@]12CCC(=O)C(=C1c1ccc3[nH]ncc3c1C2=O)C(F)(F)F |c:9| 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 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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 beta
(Homo sapiens (Human)) | BDBM50218372
(CHEMBL80124)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 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50217393
(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 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50218382
(CHEMBL76909)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 | PDB
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| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/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 | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50459856
(CHEMBL4227113)Show SMILES Oc1ccc(cc1)C1=C(c2ccc(\C=C\C(=O)Nc3ccccc3)cc2)c2ccc(F)cc2OCC1 |c:8| 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+ | PDB
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| n/a | n/a | 0.940 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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