Found 131 hits Enzyme Inhibition Constant Data Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB US Patent
| 0.0150 | -61.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Pantarhei Bioscience B.V.
US Patent
| Assay Description The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi... |
US Patent US9034854 (2015)
BindingDB Entry DOI: 10.7270/Q2W66JJT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB US Patent
| 0.0150 | -61.8 | n/a | n/a | n/a | n/a | n/a | 7.5 | 25 |
Pantarhei Bioscience B.V.
US Patent
| Assay Description The method employed was adapted from the scientific literature and described in detail by Osboum et al. (1993, Biochemistry, 32, 6229-6236). Recombin... |
US Patent US9040509 (2015)
BindingDB Entry DOI: 10.7270/Q2Z036WK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor beta
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB US Patent
| 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | 7.5 | n/a |
Donesta Bioscience B.V.
US Patent
| Assay Description The method employed was adapted from the scientific literature and described in detail by Osbourn et al. (1993, Biochemistry, 32, 6229-6236). Recombi... |
US Patent US9561238 (2017)
BindingDB Entry DOI: 10.7270/Q2B56MR1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 0.113 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
| Assay Description Apparent inhibition constant for estrogen receptor in Human Breast cancer cytosol in 2.5%DMF |
J Med Chem 40: 2117-22 (1997)
BindingDB Entry DOI: 10.7270/Q2474DKC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
| Assay Description Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 3.3%ethanol |
J Med Chem 40: 2117-22 (1997)
BindingDB Entry DOI: 10.7270/Q2474DKC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 0.138 | n/a | n/a | 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 binding to estrogen receptor in Human Breast cancer cytosol (3.3% ethanol) |
J Med Chem 40: 2117-22 (1997)
BindingDB Entry DOI: 10.7270/Q2474DKC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 0.181 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Le Centre Hospitalier Universitaire de Qu£bec
Curated by ChEMBL
| Assay Description Apparent inhibition constant for estrogen receptor in Human uterine cytosol in 2.5%DMF |
J Med Chem 40: 2117-22 (1997)
BindingDB Entry DOI: 10.7270/Q2474DKC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of New Mexico Health Sciences Center
Curated by ChEMBL
| Assay Description Displacement of E2-Alexa633 from GFP-tagged ERbeta expressed in COS7 cells by FACS |
Nat Chem Biol 2: 207-12 (2006)
Article DOI: 10.1038/nchembio775 BindingDB Entry DOI: 10.7270/Q2ZK5GV2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from full length biotinylated human ERbeta by scintillation proximity assay |
Bioorg Med Chem Lett 18: 5075-7 (2008)
Article DOI: 10.1016/j.bmcl.2008.07.121 BindingDB Entry DOI: 10.7270/Q2C53KNF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB PubMed
| 3.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline Research & Development
Curated by ChEMBL
| Assay Description Binding affinity for human estrogen receptor beta |
J Med Chem 48: 2243-7 (2005)
BindingDB Entry DOI: 10.7270/Q24T6N42 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Glaxo Wellcome Research and Development
Curated by ChEMBL
| Assay Description Ability to displace [3H]-17-beta-estradiol from Estrogen receptor beta by scintillation proximity assay. |
Bioorg Med Chem Lett 11: 1939-42 (2001)
Article DOI: 10.1016/s0960-894x(01)00321-3 BindingDB Entry DOI: 10.7270/Q2ZK5FZ0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Relative binding affinity for human estrogen receptor betacompared to [3H]-estradiol |
J Med Chem 46: 4032-42 (2003)
Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (RAT-Rattus norvegicus) | BDBM17292
 ((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 | PDB
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| n/a | n/a | 0.354 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Inhibition of estradiol binding to estrogen receptor |
J Med Chem 41: 2928-31 (1998)
BindingDB Entry DOI: 10.7270/Q20C4ZGS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | 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)
BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | 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)
Article DOI: 10.1016/s0960-894x(00)00474-1 BindingDB Entry DOI: 10.7270/Q28G8NWG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| 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)
Article DOI: 10.1016/s0960-894x(00)00015-9 BindingDB Entry DOI: 10.7270/Q2RF5X6P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from full length human recombinant ERbeta after 3 hrs by scintillation proximity assay |
Bioorg Med Chem Lett 17: 2322-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.054 BindingDB Entry DOI: 10.7270/Q2PC322G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | 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 estrogen receptor beta |
Bioorg Med Chem Lett 15: 107-13 (2004)
Article DOI: 10.1016/j.bmcl.2004.10.036 BindingDB Entry DOI: 10.7270/Q2GM86S0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of estrogen receptor beta |
Bioorg Med Chem Lett 15: 1675-81 (2005)
Article DOI: 10.1016/j.bmcl.2005.01.046 BindingDB Entry DOI: 10.7270/Q2S46RFB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 15: 715-8 (2005)
Article DOI: 10.1016/j.bmcl.2004.11.018 BindingDB Entry DOI: 10.7270/Q28K78KJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity towards human recombinant Estrogen receptor beta was determined |
J Med Chem 47: 2171-5 (2004)
Article DOI: 10.1021/jm034243o BindingDB Entry DOI: 10.7270/Q2XK8F08 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding potency for human ER beta |
Bioorg Med Chem Lett 14: 3865-8 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.073 BindingDB Entry DOI: 10.7270/Q279444V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding potency for human ER beta |
Bioorg Med Chem Lett 14: 3861-4 (2004)
Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity against human estrogen receptor beta (ER beta) in competitive binding assay |
Bioorg Med Chem Lett 14: 1417-21 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.031 BindingDB Entry DOI: 10.7270/Q28G8K4S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 14: 3747-51 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.100 BindingDB Entry DOI: 10.7270/Q2F18Z69 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity for human estrogen receptor beta |
Bioorg Med Chem Lett 14: 3753-5 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.101 BindingDB Entry DOI: 10.7270/Q29886GZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human estrogen receptor 2 using tritiated estradiol incubated for 3 hr |
Bioorg Med Chem Lett 15: 3912-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.089 BindingDB Entry DOI: 10.7270/Q2DV1JDB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay |
Bioorg Med Chem Lett 16: 4652-6 (2006)
Article DOI: 10.1016/j.bmcl.2006.05.103 BindingDB Entry DOI: 10.7270/Q2MP52WG |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.18 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Displacement of [3H]17beta-estradiol from recombinant human ERbeta expressed in 293T cells |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.20 | 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 |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.20 | 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: 834-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to ERbeta by scintillation proximity assay |
Bioorg Med Chem Lett 16: 3489-94 (2006)
Article DOI: 10.1016/j.bmcl.2006.03.098 BindingDB Entry DOI: 10.7270/Q2R2110X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to ERbeta |
Bioorg Med Chem Lett 16: 1468-72 (2006)
Article DOI: 10.1016/j.bmcl.2005.12.057 BindingDB Entry DOI: 10.7270/Q2SX6CTN |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
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| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity at human recombinant ERbeta |
Bioorg Med Chem Lett 17: 6295-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay |
Bioorg Med Chem Lett 17: 2944-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Seoul National University
Curated by ChEMBL
| Assay Description Inhibition of fluoromone binding to recombinant human full length untagged ERbeta expressed in insect cells after 2 hrs by fluorescence polarization ... |
J Nat Prod 81: 1343-1356 (2018)
BindingDB Entry DOI: 10.7270/Q2222X9W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | 7.6 | 22 |
Ghent University
| Assay Description Ligand binding was determined using a scintillation proximity assay with streptavidin-coated polyvinyltoluene scintillation beads (Amersham) and biot... |
J Med Chem 49: 7357-65 (2006)
Article DOI: 10.1021/jm060692n BindingDB Entry DOI: 10.7270/Q2M61HJ1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM (Merck Research Laboratories Rome)
Curated by ChEMBL
| Assay Description Binding affinity to human ER beta |
J Med Chem 49: 5404-7 (2006)
Article DOI: 10.1021/jm060516e BindingDB Entry DOI: 10.7270/Q2DB81GH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2M61P0X |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/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)
BindingDB Entry DOI: 10.7270/Q2ZP48V7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description Displacement of [3H]E2 from GST-fused ERbeta-LBD (unknown origin) expressed in Escherichia coli BL21 incubated for 1 hr by liquid scintillation count... |
Bioorg Med Chem 25: 5216-5237 (2017)
BindingDB Entry DOI: 10.7270/Q26H4KVD |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB US Patent
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | 37 |
Endece LLC
US Patent
| Assay Description Estrogen receptor-negative CV-1 kidney cells are maintained in Dulbecco's modified Eagle's medium with 4.5 g/L glucose supplemented with 10% fetal bo... |
US Patent US9422324 (2016)
BindingDB Entry DOI: 10.7270/Q21R6PFW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (Rattus norvegicus) | BDBM17292
 ((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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | 1.70 | 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 rat ER beta expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (RAT-Rattus norvegicus) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description Displacement of [3H]- Estradiol from Estrogen receptor of rat uterine cytosol |
J Med Chem 39: 4853-9 (1996)
BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (Rattus norvegicus) | BDBM17292
 ((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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Research Center
Curated by ChEMBL
| Assay Description Binding to Estrogen receptor- beta (ER beta) receptor |
Bioorg Med Chem Lett 12: 2875-8 (2002)
Article DOI: 10.1016/s0960-894x(02)00613-3 BindingDB Entry DOI: 10.7270/Q2F18Z2H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Bayer Corporation
Curated by ChEMBL
| Assay Description In vitro binding affinity for estrogen receptor beta |
Bioorg Med Chem Lett 13: 1919-22 (2003)
Article DOI: 10.1016/s0960-894x(03)00307-x BindingDB Entry DOI: 10.7270/Q29K49MK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(249/255 = 98%)† (Mus musculus) | BDBM17292
 ((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 | PDB MMDB
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| MMDB PDB Article PubMed
| n/a | n/a | 2.30 | 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 mouse ER beta expressed in Escherichia coli |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 2.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Athens
Curated by ChEMBL
| Assay Description Displacement of fluorescent estrogen ES2 from human recombinant ERbeta by fluorescence polarization assay |
J Nat Prod 72: 1603-7 (2009)
Article DOI: 10.1021/np900271m BindingDB Entry DOI: 10.7270/Q2D21XRF |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description Inhibition of ER-beta (unknown origin) by Lanthascreen-FRET assay |
Bioorg Med Chem 24: 4075-4099 (2016)
Article DOI: 10.1016/j.bmc.2016.06.050 BindingDB Entry DOI: 10.7270/Q2T43W1S |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Eli Lilly and Company
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from Estrogen receptor in MCF-7 cells |
J Med Chem 35: 931-8 (1992)
Article DOI: 10.1021/jm00083a019 BindingDB Entry DOI: 10.7270/Q2V98B9P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description Displacement of [3H]-estradiol from estrogen receptor (ER) |
J Med Chem 32: 192-7 (1989)
Article DOI: 10.1021/jm00121a035 BindingDB Entry DOI: 10.7270/Q28K782T |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human LBD of ERbeta |
Bioorg Med Chem Lett 17: 118-22 (2006)
Article DOI: 10.1016/j.bmcl.2006.09.088 BindingDB Entry DOI: 10.7270/Q2XW4JFX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | 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 |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human estrogen receptor beta |
Bioorg Med Chem Lett 15: 3137-42 (2005)
Article DOI: 10.1016/j.bmcl.2005.04.013 BindingDB Entry DOI: 10.7270/Q25Q4VMB |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibitory concentration against human ER beta expressed in Escherichia coli was determined using [3H]17-beta-estradiol as radio ligand |
J Med Chem 47: 5021-40 (2004)
Article DOI: 10.1021/jm049719y BindingDB Entry DOI: 10.7270/Q2C828S5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Binding affinity towards human estrogen receptor beta (ERbeta) |
Bioorg Med Chem Lett 13: 2399-403 (2003)
Article DOI: 10.1016/s0960-894x(03)00394-9 BindingDB Entry DOI: 10.7270/Q2TB169D |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | 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 15: 4520-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.07.008 BindingDB Entry DOI: 10.7270/Q20864VH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | 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 |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Inhibition of human ERbeta by radioligand binding assay |
Bioorg Med Chem Lett 17: 902-6 (2007)
Article DOI: 10.1016/j.bmcl.2006.11.066 BindingDB Entry DOI: 10.7270/Q2222TD0 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description Displacement of [3H]17-beta-estradiol from human Estrogen receptor beta |
Bioorg Med Chem Lett 10: 147-51 (2000)
Article DOI: 10.1016/s0960-894x(99)00648-4 BindingDB Entry DOI: 10.7270/Q2JH3MQR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Tohoku Pharmaceutical University
Curated by ChEMBL
| Assay Description Binding affinity to human recombinant ERbeta receptor by liquid scintillation counter |
Bioorg Med Chem Lett 18: 5050-3 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.004 BindingDB Entry DOI: 10.7270/Q2KK9BKX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description Displacement of fluorescein-labeled estrogen from human recombinant ERbeta by fluorescence polarization based competitive binding affinity assay |
J Med Chem 57: 9370-82 (2014)
Article DOI: 10.1021/jm500670d BindingDB Entry DOI: 10.7270/Q2BR8TSK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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| PDB PubMed
| n/a | n/a | 5.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Trinity College
Curated by ChEMBL
| Assay Description Displacement of Fluormone ES2 Green from full-length estrogen receptor beta (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 61: 514-534 (2018)
BindingDB Entry DOI: 10.7270/Q20K2C6G |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Janssen Research and Development LLC
Curated by ChEMBL
| Assay Description Inhibition of fluormone ES2 binding to recombinant full length human ERbeta expressed in insect cells by fluorescence polarization assay |
Eur J Med Chem 138: 830-853 (2017)
BindingDB Entry DOI: 10.7270/Q2W098F7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Antagonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as inhibition of transactivation activity after 18 hrs by lu... |
J Med Chem 53: 6947-53 (2010)
Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 11 | n/a | 0.840 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Co.
| Assay Description Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor... |
J Med Chem 49: 2440-55 (2006)
Article DOI: 10.1021/jm0509389 BindingDB Entry DOI: 10.7270/Q2WH2N82 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 16.7 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Southern California
Curated by ChEMBL
| Assay Description Binding affinity to human ERbeta |
J Med Chem 50: 4471-81 (2007)
Article DOI: 10.1021/jm070546x BindingDB Entry DOI: 10.7270/Q2XG9RZW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Binding affinity towards estrogen receptor beta by [3H]17-beta-estradiol displacement. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
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| PDB Article PubMed
| n/a | n/a | 24 | n/a | 0.0700 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 45: 1399-401 (2002)
Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | 25 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 46: 2945-57 (2003)
Article DOI: 10.1021/jm030086h BindingDB Entry DOI: 10.7270/Q2H41PQQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | 25 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 48: 364-79 (2005)
Article DOI: 10.1021/jm040858p BindingDB Entry DOI: 10.7270/Q2CC0XZJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | 46 | 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)
BindingDB Entry DOI: 10.7270/Q2FF3WBH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM20624
 ((1S,10R,11S,14R,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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | 1.23E+3 | n/a | 4.5 | n/a | n/a | 7.4 | 22 |
Novartis Pharmaceuticals
| Assay Description Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA... |
J Med Chem 45: 1399-401 (2002)
Article DOI: 10.1021/jm015577l BindingDB Entry DOI: 10.7270/Q27M0665 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 9.70 | n/a | n/a | n/a | n/a |
Ligand Pharmaceuticals
Curated by ChEMBL
| Assay Description In vitro agonist activity for estrogen receptor beta expressed in COS-1 cells |
Bioorg Med Chem Lett 15: 1463-6 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.077 BindingDB Entry DOI: 10.7270/Q25H7FR7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0850 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta expressed in HEK293 cells by luciferase reporter gene assay |
Bioorg Med Chem Lett 24: 5265-7 (2014)
Article DOI: 10.1016/j.bmcl.2014.09.053 BindingDB Entry DOI: 10.7270/Q2S46TKZ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.380 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase reporter gene tr... |
J Med Chem 58: 1184-94 (2015)
Article DOI: 10.1021/jm501829f BindingDB Entry DOI: 10.7270/Q2XK8H8P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.300 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta in human MCF7 cells assessed as otubain 2 endogenous genes activation after 24 hrs by qPCR |
J Med Chem 58: 1184-94 (2015)
Article DOI: 10.1021/jm501829f BindingDB Entry DOI: 10.7270/Q2XK8H8P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (Rattus norvegicus) | BDBM17292
 ((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 | PDB MMDB
Reactome pathway KEGG
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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.140 | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Effect on ERbeta in rat ovary granulosa cell line transfected with ER responsive luciferase reporter |
Bioorg Med Chem Lett 15: 5562-6 (2005)
Article DOI: 10.1016/j.bmcl.2005.08.010 BindingDB Entry DOI: 10.7270/Q2N879CK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0980 | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Transcriptional activation of estrogen receptor beta in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-30... |
J Med Chem 48: 5989-6003 (2005)
Article DOI: 10.1021/jm050226i BindingDB Entry DOI: 10.7270/Q2B857P7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from human ERbeta |
J Med Chem 49: 5001-12 (2006)
Article DOI: 10.1021/jm060560u BindingDB Entry DOI: 10.7270/Q2ZG6RVQ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.130 | n/a | n/a | n/a | n/a |
Universita di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at full-length human estrogen receptor beta expressed in human HEC1 cells assessed as transcriptional activation after 24 hrs by luc... |
J Med Chem 52: 858-67 (2009)
Article DOI: 10.1021/jm801458t BindingDB Entry DOI: 10.7270/Q23R0SRH |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Institute of Radiological and Medical Sciences
Curated by ChEMBL
| Assay Description Binding affinity to full-length human estrogen receptor beta |
Bioorg Med Chem 17: 3479-88 (2009)
Article DOI: 10.1016/j.bmc.2009.02.064 BindingDB Entry DOI: 10.7270/Q2T43T0H |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0390 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Transcriptional potency (EC50) at Human estrogen receptor Beta |
J Med Chem 44: 4230-51 (2001)
Article DOI: 10.1021/jm010254a BindingDB Entry DOI: 10.7270/Q289155W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.800 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist effect on transcriptional activation of T47D cells expressing human estrogen receptor beta |
J Med Chem 45: 5492-505 (2002)
Article DOI: 10.1021/jm020291h BindingDB Entry DOI: 10.7270/Q2J965RW |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Università di Pisa
Curated by ChEMBL
| Assay Description Binding affinity for human estrogen receptor beta |
J Med Chem 46: 4032-42 (2003)
Article DOI: 10.1021/jm0308390 BindingDB Entry DOI: 10.7270/Q27W6BKS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
University of Illinois at Urbana-Champaign
Curated by ChEMBL
| Assay Description Binding affinity to full-length human estrogen receptor beta |
Bioorg Med Chem 17: 3528-35 (2009)
Article DOI: 10.1016/j.bmc.2009.04.016 BindingDB Entry DOI: 10.7270/Q22R3RP1 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter g... |
Eur J Med Chem 44: 3412-24 (2009)
Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Binding affinity to human full length ERbeta receptor |
Eur J Med Chem 44: 3412-24 (2009)
Article DOI: 10.1016/j.ejmech.2009.02.006 BindingDB Entry DOI: 10.7270/Q2NK3F37 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 280 | n/a | n/a | n/a | n/a |
Technische Universiteit Eindhoven
Curated by ChEMBL
| Assay Description Agonist activity at human N-terminal His6-tagged ERbeta receptor LBD expressed in Escherichia coli BL21 (DE3) assessed as induction of SRC1 peptide r... |
J Med Chem 54: 2005-11 (2011)
Article DOI: 10.1021/jm1011116 BindingDB Entry DOI: 10.7270/Q2R49R3P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.720 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at human full-length ERbeta receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional act... |
Eur J Med Chem 46: 2453-62 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Binding affinity to human full-length ERbeta receptor |
Eur J Med Chem 46: 2453-62 (2011)
Article DOI: 10.1016/j.ejmech.2011.03.030 BindingDB Entry DOI: 10.7270/Q2ZC8362 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta expressed in UAS cells co-expressing beta-lactamase after 18 hrs by beta-lactamase reporter gene assay |
Bioorg Med Chem Lett 21: 5680-3 (2011)
Article DOI: 10.1016/j.bmcl.2011.08.041 BindingDB Entry DOI: 10.7270/Q2JS9QTC |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.400 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta expressed in U2OS cells coexpressing pCMX-hSRC3 assessed as luciferase activity after 24 hrs by reporter gene assay |
J Med Chem 55: 528-37 (2012)
Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta expressed in HEC-1 cells coexpressing beta-gal assessed as luciferase activity after 24 hrs by reporter gene assay |
J Med Chem 55: 528-37 (2012)
Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.5 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at human N-His6-tagged terbium-labelled ERbeta ligand binding domain expressed in Escherichia coli BL21 cells assessed as recruitmen... |
J Med Chem 55: 528-37 (2012)
Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.900 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at human N-His6-tagged terbium-labelled NRID-SRC3 of ERbeta ligand binding domain expressed in Escherichia coli BL21 cells after 1 h... |
J Med Chem 55: 528-37 (2012)
Article DOI: 10.1021/jm201436k BindingDB Entry DOI: 10.7270/Q2PN963M |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.670 | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Ability to activate estrogen receptor 2-mediated transcription. |
Bioorg Med Chem Lett 14: 2327-30 (2004)
Article DOI: 10.1016/j.bmcl.2004.01.099 BindingDB Entry DOI: 10.7270/Q2HT2PVS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbeta |
Bioorg Med Chem Lett 16: 834-8 (2006)
Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta expressed in HEK293 cells by transactivation assay |
Bioorg Med Chem Lett 17: 6295-8 (2007)
Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB PubMed
| n/a | n/a | n/a | n/a | 1.10 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity at human estrogen receptor-beta by yeast two-hybrid assay in presence of SRC1 |
Bioorg Med Chem Lett 23: 3329-33 (2013)
BindingDB Entry DOI: 10.7270/Q2JW8HTJ |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.08 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta expressed in yeast assessed as alpha-galactosidase activity |
J Med Chem 53: 5361-5 (2010)
Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 30 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta expressed in CHO-K1 cells by luciferase reporter gene transactivation assay |
J Med Chem 53: 5361-5 (2010)
Article DOI: 10.1021/jm100369g BindingDB Entry DOI: 10.7270/Q2319WV8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description Agonist activity at estrogen receptor beta ligand binding domain expressed in african green monkey COS7 cells co-transfected with Gal4-LBD by lucifer... |
J Nat Prod 72: 1944-8 (2009)
Article DOI: 10.1021/np9004882 BindingDB Entry DOI: 10.7270/Q2R49RQR |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 11 | n/a | n/a | n/a | n/a |
Wuhan University
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta expressed in HepG2 cells after 24 hrs by luciferase reporter gene assay |
J Med Chem 55: 2324-41 (2012)
Article DOI: 10.1021/jm201556r BindingDB Entry DOI: 10.7270/Q2VT1T4R |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.40 | n/a | n/a | n/a | n/a |
Johnson & Johnson Pharmaceutical Research and Development LLC
Curated by ChEMBL
| Assay Description Agonist activity at human ERbeta LBD by cell based luciferase reporter gene assay |
J Med Chem 54: 788-808 (2012)
Article DOI: 10.1021/jm101063h BindingDB Entry DOI: 10.7270/Q208668Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.08 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta receptor LBD expressed in yeast AH109 cells assessed as interaction with SRC1 after 24 hrs by alpha-galactosidase assay |
Eur J Med Chem 54: 188-96 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.041 BindingDB Entry DOI: 10.7270/Q2445NJ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0360 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Transcriptional activation of ERbeta receptor expressed in CHO-K1 cells after 24 hrs by luciferase reporter gene assay |
Eur J Med Chem 54: 188-96 (2012)
Article DOI: 10.1016/j.ejmech.2012.04.041 BindingDB Entry DOI: 10.7270/Q2445NJ5 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Activation of human ERbeta expressed in human U2-OS cells by luciferase reporter gene assay relative to untreated control |
J Med Chem 55: 9607-18 (2012)
Article DOI: 10.1021/jm300860j BindingDB Entry DOI: 10.7270/Q2R212H2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.60 | n/a | n/a | n/a | n/a |
Purdue University
Curated by ChEMBL
| Assay Description Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysis |
Bioorg Med Chem 24: 5400-5409 (2016)
Article DOI: 10.1016/j.bmc.2016.08.064 BindingDB Entry DOI: 10.7270/Q2JQ12ZK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.458 | n/a | n/a | n/a | n/a |
Charles University in Prague
Curated by ChEMBL
| Assay Description Agonist activity at ERbeta-LBD in human U2OS cells transfected with Gal4-DBD assessed as increase of transactivation activity after 18 hrs by lucifer... |
J Med Chem 53: 6947-53 (2010)
Article DOI: 10.1021/jm100563h BindingDB Entry DOI: 10.7270/Q2PC33M2 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
Bayer Corporation
Curated by ChEMBL
| Assay Description Percent agonistic activity for estrogen-induced pS2 expression in MCF-7 cells |
Bioorg Med Chem Lett 13: 1919-22 (2003)
Article DOI: 10.1016/s0960-894x(03)00307-x BindingDB Entry DOI: 10.7270/Q29K49MK |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 1 | n/a | n/a | n/a | n/a |
Boston University School of Medicine
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from estrogen receptor-ligand binding domain |
Bioorg Med Chem Lett 9: 2379-84 (1999)
Article DOI: 10.1016/s0960-894x(99)00390-x BindingDB Entry DOI: 10.7270/Q2CC12V7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (RAT-Rattus norvegicus) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 5.70 | n/a | n/a | n/a | n/a |
University of Georgia
Curated by ChEMBL
| Assay Description In vitro displacement of [3H]estradiol from estrogen receptor of rat uterine cystol |
J Med Chem 31: 1471-5 (1988)
Article DOI: 10.1021/jm00402a037 BindingDB Entry DOI: 10.7270/Q2DN478W |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from estrogen receptor in immature rabbit |
J Med Chem 32: 1642-52 (1989)
Article DOI: 10.1021/jm00127a040 BindingDB Entry DOI: 10.7270/Q25141F8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.56E+3 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from estrogen receptor in squirrel monkey |
J Med Chem 32: 1642-52 (1989)
Article DOI: 10.1021/jm00127a040 BindingDB Entry DOI: 10.7270/Q25141F8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (RAT-Rattus norvegicus) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 917 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Displacement of [3H]estradiol from estrogen receptor in immature rat |
J Med Chem 32: 1642-52 (1989)
Article DOI: 10.1021/jm00127a040 BindingDB Entry DOI: 10.7270/Q25141F8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(255/255 = 100%)† (RAT-Rattus norvegicus) | BDBM17292
 ((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 | PDB
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| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.83E+3 | n/a | n/a | n/a | n/a |
SRI International
Curated by ChEMBL
| Assay Description Displacement of [3H]-estradiol from estrogen receptor in mature rat |
J Med Chem 32: 1642-52 (1989)
Article DOI: 10.1021/jm00127a040 BindingDB Entry DOI: 10.7270/Q25141F8 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.25 | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa... |
Eur J Med Chem 157: 791-804 (2018)
BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.0220 | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell based ERE-driven luciferase reporter gene assay |
Eur J Med Chem 157: 791-804 (2018)
BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Estrogenic activity at ERbeta (unknown origin) expressed in human MDA-MB-231/beta41 cells after 18 hrs by renilla luciferase reporter gene assay |
J Nat Prod 81: 966-975 (2018)
BindingDB Entry DOI: 10.7270/Q2DV1NKT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB PubMed
| n/a | n/a | n/a | n/a | 0.180 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Affinity for estrogen receptor of human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB PubMed
| n/a | n/a | n/a | n/a | 0.0301 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Induction of pS2 Gene expression in human MCF-7 cells |
J Med Chem 40: 3756-64 (1997)
BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| PDB PubMed
| n/a | n/a | n/a | n/a | 0.292 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
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| n/a | n/a | n/a | n/a | 0.996 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Affinity for estrogen receptor |
J Med Chem 39: 1917-23 (1996)
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | n/a | 0.0996 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Induction of pS2 mRNA expression in human MCF-7 mammary carcinoma cells |
J Med Chem 39: 1917-23 (1996)
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | n/a | 3.80 | n/a | n/a | n/a | n/a |
Ohio State University
Curated by ChEMBL
| Assay Description Affinity estrogen receptor of MCF-7 human mammary cancer cells |
J Med Chem 39: 1917-23 (1996)
BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB PubMed
| n/a | n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Relative binding affinity for human estrogen receptor beta by displacement of [3H]estradiol |
J Med Chem 44: 4288-91 (2001)
BindingDB Entry DOI: 10.7270/Q22N5516 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
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CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a |
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)
Curated by ChEMBL
| Assay Description Binding affinity to human full length estrogen receptor beta by Scatchard plot analysis |
J Med Chem 56: 3346-66 (2013)
Article DOI: 10.1021/jm400157e BindingDB Entry DOI: 10.7270/Q2MK6F7V |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(234/255 = 92%)† (Homo sapiens (Human)) | BDBM17292
 ((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 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia GoogleScholar
| Purchase
CHEBI CHEMBL DrugBank KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.10 | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Agonist activity at human recombinant ERbeta expressed in HEK293 cells by transactivation assay |
Bioorg Med Chem Lett 17: 2944-8 (2007)
Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |