Found 12467 hits Enz. Inhib. hit(s) with Target = 'Estrogen receptor' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50471081
 (CHEMBL1627420)Show SMILES C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(CCCO)cc34)[C@@H]1CC[C@@H]2O Show InChI InChI=1S/C21H30O3/c1-21-9-8-15-16(18(21)6-7-20(21)24)5-4-13-12-19(23)14(3-2-10-22)11-17(13)15/h11-12,15-16,18,20,22-24H,2-10H2,1H3/t15-,16+,18-,20-,21-/m0/s1 | PDB
Reactome pathway
UniProtKB/SwissProt UniProtKB/TrEMBL
antibodypedia antibodypedia GoogleScholar
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | n/a | n/a | 0.00400 | 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)
Article DOI: 10.1021/jm9508245 BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 0.00400 | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Activation of human ERalpha 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) |
Estrogen receptor
(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 | 0.00700 | 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 alpha |
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) |
Estrogen receptor
(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 | 0.00840 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at human ERalpha in human MCF7 cells assessed as progesterone receptor 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
(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 |
Pfizer Inc
Curated by ChEMBL
| Assay Description Effect on ERalpha in MCF7 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) |
Estrogen receptor
(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) |
Estradiol receptor beta (ERβ)
(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 | 0.0100 | 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20625
 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | PDB
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| n/a | n/a | n/a | n/a | 0.0100 | n/a | n/a | n/a | n/a |
Wyeth-Ayerst Research
Curated by ChEMBL
| Assay Description In vitro agonist effect on estrogen receptor alpha transcriptional activation in MCF-7 cells at 10 pM |
J Med Chem 44: 1654-7 (2001)
Article DOI: 10.1021/jm010086m BindingDB Entry DOI: 10.7270/Q2F47NDX |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 0.0180 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha |
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) |
Estrogen receptor
(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 | 0.0190 | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-3... |
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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50121317
 (1,1-bis(4,4'-hydroxyphenyl)-2-phenylbut-1-ene | 4,...)Show InChI InChI=1S/C22H20O2/c1-2-21(16-6-4-3-5-7-16)22(17-8-12-19(23)13-9-17)18-10-14-20(24)15-11-18/h3-15,23-24H,2H2,1H3 | PDB
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| n/a | n/a | n/a | n/a | 0.0200 | n/a | n/a | n/a | n/a |
Georgetown University
Curated by ChEMBL
| Assay Description Agonist activity at ER in human MCF7:WS8 cells assessed as increase in cell growth by measuring DNA level after 7 days by fluorescence analysis |
J Med Chem 57: 4569-83 (2014)
Article DOI: 10.1021/jm500569h BindingDB Entry DOI: 10.7270/Q2H996R4 |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 24 | n/a | 0.0200 | 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)
(Homo sapiens (Human)) | BDBM20625
 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | PDB
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| Article PubMed
| n/a | n/a | 9 | n/a | 0.0200 | 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 | |
Estrogen receptor
(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 | 0.0200 | n/a | n/a | n/a | n/a |
University of Richmond
Curated by ChEMBL
| Assay Description Activation of human ERbeta assessed as induction of transcriptional activation incubated for 24 hrs by luciferase reporter gene assay |
Bioorg Med Chem 27: 2075-2082 (2019)
Article DOI: 10.1016/j.bmc.2019.04.003 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 |
Concordia University Wisconsin
Curated by ChEMBL
| Assay Description Agonist activity at estrogen receptor beta (unknown origin) after 22 hrs by cell-based luciferase reporter gene assay |
J Med Chem 61: 4720-4738 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01601 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 0.0240 | n/a | n/a | n/a | n/a |
Phenex Pharmaceuticals AG
Curated by ChEMBL
| Assay Description Agonist activity at human ERalpha 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50309557
 (CHEMBL592868 | estrogen)Show SMILES CC#C[C@]1(O)CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C Show InChI InChI=1S/C21H26O2/c1-3-10-21(23)12-9-19-18-6-4-14-13-15(22)5-7-16(14)17(18)8-11-20(19,21)2/h5,7,13,17-19,22-23H,4,6,8-9,11-12H2,1-2H3/t17-,18-,19+,20+,21+/m1/s1 | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.0280 | n/a | n/a | n/a | n/a |
University of Illinois at Chicago
Curated by ChEMBL
| Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as stimulation of alkaline phosphatase activity after 4 days by microplate scanning s... |
Bioorg Med Chem 18: 809-21 (2010)
Article DOI: 10.1016/j.bmc.2009.11.046 BindingDB Entry DOI: 10.7270/Q28K797G |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412253
 ((5R,6S)-5-(4-((1-(3- fluoropropyl)azetidin- 3-yl)a...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(NC2CN(CCCF)C2)cc1 Show InChI InChI=1S/C28H31FN2O/c29-15-4-16-31-18-24(19-31)30-23-10-7-21(8-11-23)28-26(20-5-2-1-3-6-20)13-9-22-17-25(32)12-14-27(22)28/h1-3,5-8,10-12,14,17,24,26,28,30,32H,4,9,13,15-16,18-19H2/t26-,28+/m1/s1 | PDB
Reactome pathway
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| US Patent
| n/a | n/a | n/a | n/a | 0.0290 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(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 | 0.0300 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Estrogenic activity at ERalpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-nitrophenol as substrate treate... |
J Nat Prod 81: 966-975 (2018)
Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 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)
Article DOI: 10.1021/acs.jnatprod.7b01070 BindingDB Entry DOI: 10.7270/Q2DV1NKT |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 0.0300 | n/a | n/a | n/a | n/a |
University of Richmond
Curated by ChEMBL
| Assay Description Activation of human ERbeta assessed as induction of transcriptional activation by luciferase reporter gene assay |
Bioorg Med Chem 27: 2075-2082 (2019)
Article DOI: 10.1016/j.bmc.2019.04.003 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 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)
Article DOI: 10.1021/jm9701684 BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412241
 ((5S,6S)-5-(2-fluoro-4- (2-(3- (fluoromethyl)azetid...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)cc1F Show InChI InChI=1S/C28H29F2NO2/c29-16-19-17-31(18-19)12-13-33-23-8-11-26(27(30)15-23)28-24(20-4-2-1-3-5-20)9-6-21-14-22(32)7-10-25(21)28/h1-5,7-8,10-11,14-15,19,24,28,32H,6,9,12-13,16-18H2/t24-,28+/m1/s1 | PDB
Reactome pathway
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Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Estradiol receptor beta (ERβ)
(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 | 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) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412245
 ((5S,6R)-5-(4-((S)-2- ((R)-3- (fluoromethyl)pyrroli...)Show SMILES C[C@@H](COc1ccc(cc1)[C@@H]1[C@@H](CCc2cc(O)ccc12)c1ccccc1)N1CC[C@@H](CF)C1 Show InChI InChI=1S/C30H34FNO2/c1-21(32-16-15-22(18-31)19-32)20-34-27-11-7-24(8-12-27)30-28(23-5-3-2-4-6-23)13-9-25-17-26(33)10-14-29(25)30/h2-8,10-12,14,17,21-22,28,30,33H,9,13,15-16,18-20H2,1H3/t21-,22-,28-,30+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0370 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412255
 (4-((1S,2R)-1-(4-(2-(3- (fluoromethyl)azetidin- 1-y...)Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccc(cc1)C#N)c1ccc(OCCN2CC(CF)C2)cc1 Show InChI InChI=1S/C29H29FN2O2/c30-16-21-18-32(19-21)13-14-34-26-9-5-23(6-10-26)29-27(22-3-1-20(17-31)2-4-22)11-7-24-15-25(33)8-12-28(24)29/h1-6,8-10,12,15,21,27,29,33H,7,11,13-14,16,18-19H2/t27-,29+/m0/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0380 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Estradiol receptor beta (ERβ)
(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 | 0.0390 | 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) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412225
 ((1S,2S)-1-[2,6- difluoro-4-[2-[3- (fluoromethyl)az...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1c(F)cc(OCCN2CC(CF)C2)cc1F Show InChI InChI=1S/C28H28F3NO2/c29-15-18-16-32(17-18)10-11-34-22-13-25(30)28(26(31)14-22)27-23(19-4-2-1-3-5-19)8-6-20-12-21(33)7-9-24(20)27/h1-5,7,9,12-14,18,23,27,33H,6,8,10-11,15-17H2/t23-,27+/m1/s1 | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.0400 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 0.0460 | n/a | n/a | n/a | n/a |
Pfizer Inc
Curated by ChEMBL
| Assay Description Agonist activity at ERalpha expressed in HEK 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) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412248
 ((5S,6S)-5-(6-(2-(3- (fluoromethyl)azetidin- 1-yl)e...)Show SMILES Oc1ccc2[C@H]([C@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CC(CF)C2)nc1 Show InChI InChI=1S/C27H29FN2O2/c28-15-19-17-30(18-19)12-13-32-26-11-7-22(16-29-26)27-24(20-4-2-1-3-5-20)9-6-21-14-23(31)8-10-25(21)27/h1-5,7-8,10-11,14,16,19,24,27,31H,6,9,12-13,15,17-18H2/t24-,27+/m1/s1 | PDB
Reactome pathway
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antibodypedia GoogleScholar
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| US Patent
| n/a | n/a | n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 0.0470 | n/a | n/a | n/a | n/a |
Ghent University
Curated by ChEMBL
| Assay Description Estrogenic activity at estrogen receptor in human Ishikawa Var-1 cells assessed as stimulation of alkaline phosphatase activity measured by metabolis... |
J Nat Prod 67: 1829-32 (2004)
Article DOI: 10.1021/np040069a BindingDB Entry DOI: 10.7270/Q2SN09TS |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 0.0500 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Transcriptional activation of ERalpha 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50173661
 (1,3-Diethyl-2-(4-hydroxy-phenyl)-3H-inden-5-ol | C...)Show InChI InChI=1S/C19H20O2/c1-3-15-17-10-9-14(21)11-18(17)16(4-2)19(15)12-5-7-13(20)8-6-12/h5-11,16,20-21H,3-4H2,1-2H3 | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.0590 | n/a | n/a | n/a | n/a |
University of California
Curated by ChEMBL
| Assay Description Transcriptional activation of estrogen receptor alpha in U2OS cell using estrogen-regulated luciferase reporter gene plasmid upon incubation for 20-3... |
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 | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM20625
 (4-[(3E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol | ...)Show InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+ | PDB
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| PDB Article PubMed
| n/a | n/a | 12 | n/a | 0.0600 | 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50106646
 ((S)-3-(4-Hydroxy-phenyl)-2-((R)-4-hydroxy-phenyl)-...)Show SMILES CC[C@@H]([C@@H](C#N)c1ccc(O)cc1)c1ccc(O)cc1 Show InChI InChI=1S/C17H17NO2/c1-2-16(12-3-7-14(19)8-4-12)17(11-18)13-5-9-15(20)10-6-13/h3-10,16-17,19-20H,2H2,1H3/t16-,17+/m1/s1 | PDB
Reactome pathway
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Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 0.0640 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Transcriptional potency (EC50) at Human estrogen receptor alpha |
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 | |
Estradiol receptor beta (ERβ)
(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 | 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) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM50233216
 (CHEMBL4081807)Show SMILES Cc1cc(Cl)cc(C)c1C(=O)c1sc2cc(O)ccc2c1Oc1ccc(\C=C\C(O)=O)cc1 Show InChI InChI=1S/C26H19ClO5S/c1-14-11-17(27)12-15(2)23(14)24(31)26-25(20-9-6-18(28)13-21(20)33-26)32-19-7-3-16(4-8-19)5-10-22(29)30/h3-13,28H,1-2H3,(H,29,30)/b10-5+ | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.0700 | n/a | n/a | n/a | n/a |
University of Illinois College of Pharmacy
Curated by ChEMBL
| Assay Description Induction of ERalpha degradation in tamoxifen-sensitive human MCF7:WS8 cells after 24 hrs by CellTag 700 staining based In-cell western assay |
J Med Chem 60: 1325-1342 (2017)
Article DOI: 10.1021/acs.jmedchem.6b01355 BindingDB Entry DOI: 10.7270/Q29P33WB |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 0.0700 | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Agonist effect on transcriptional activation in T47D cells expressing estrogen receptor alpha |
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) |
Estrogen receptor
(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 | 0.0800 | n/a | n/a | n/a | n/a |
Free University of Berlin
Curated by ChEMBL
| Assay Description Concentration required to activate luciferase expression in MCF-7-2a cells |
J Med Chem 47: 915-27 (2004)
Article DOI: 10.1021/jm0309809 BindingDB Entry DOI: 10.7270/Q2BP041Q |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(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) |
Estrogen receptor
(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 | 0.0900 | n/a | n/a | n/a | n/a |
Universit£ di Pisa
Curated by ChEMBL
| Assay Description Agonist activity at human full-length ERalpha receptor expressed in human HEC1 cells co-expressing (ERE)2-pS2-luc gene assessed as transcriptional ac... |
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) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(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 | 0.0900 | n/a | n/a | n/a | n/a |
the University of Tokyo
Curated by ChEMBL
| Assay Description Selective estrogen receptor down-regulator activity at FLAG-tagged ERalpha (unknown origin) expressed in HEK293 cells assessed as induction of ERalph... |
Bioorg Med Chem 27: 1952-1961 (2019)
Article DOI: 10.1016/j.bmc.2019.03.042 |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estradiol receptor beta (ERβ)
(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) |
Estrogen receptor
(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 | 0.0996 | 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)
Article DOI: 10.1021/jm9508245 BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Estrogen receptor
(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 | 0.100 | n/a | n/a | n/a | n/a |
University of Illinois
Curated by ChEMBL
| Assay Description Agonist activity at ERalpha expressed in human HEC1 cells assessed as transcriptional potency after 24 hrs by luciferase-beta galactosidase reporter ... |
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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50099587
 (2-(4-Hydroxy-phenyl)-3-methyl-1-[4-(2-piperidin-1-...)Show SMILES Cc1c(-c2ccc(O)cc2)n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccc(O)cc12 Show InChI InChI=1S/C29H32N2O3/c1-21-27-19-25(33)11-14-28(27)31(29(21)23-7-9-24(32)10-8-23)20-22-5-12-26(13-6-22)34-18-17-30-15-3-2-4-16-30/h5-14,19,32-33H,2-4,15-18,20H2,1H3 | PDB
Reactome pathway
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| Article PubMed
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Seragon Pharmaceuticals
Curated by ChEMBL
| Assay Description Induction of estrogen receptor-alpha degradation in human MCF7 cells after 4 hrs by in-cell western assay |
J Med Chem 58: 4888-904 (2015)
Article DOI: 10.1021/acs.jmedchem.5b00054 BindingDB Entry DOI: 10.7270/Q29W0H7Q |
More data for this Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50005603
 (CHEMBL3234630)Show InChI InChI=1S/C19H14ClNO3/c20-16-3-1-2-4-17(16)21-19(12-5-7-13(22)8-6-12)15-10-9-14(23)11-18(15)24/h1-11,22-24H/b21-19+ | PDB
Reactome pathway
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| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Key Laboratory of Combinatorial Biosynthesis and Drug Discovery (Wuhan University)
Curated by ChEMBL
| Assay Description Agonist activity at ERalpha (unknown origin) expressed in human HepG2 cells assessed as transcriptional activation after 24 hrs by ERE-luciferase rep... |
J Med Chem 57: 3532-45 (2014)
Article DOI: 10.1021/jm500268j BindingDB Entry DOI: 10.7270/Q2MS3V9N |
More data for this Ligand-Target Pair |  3D Structure (crystal) |
Baculoviral IAP repeat-containing protein 2/Estrogen receptor
(Homo sapiens (Human)) | BDBM412235
 ((5S,6R)-5-(4-(2-(3- (fluoromethyl)pyrrolidin- 1- y...)Show SMILES Oc1ccc2[C@@H]([C@@H](CCc2c1)c1ccccc1)c1ccc(OCCN2CCC(CF)C2)cc1 Show InChI InChI=1S/C29H32FNO2/c30-19-21-14-15-31(20-21)16-17-33-26-10-6-23(7-11-26)29-27(22-4-2-1-3-5-22)12-8-24-18-25(32)9-13-28(24)29/h1-7,9-11,13,18,21,27,29,32H,8,12,14-17,19-20H2/t21?,27-,29+/m0/s1 | PDB
Reactome pathway
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| US Patent
| n/a | n/a | n/a | n/a | 0.100 | n/a | n/a | n/a | n/a |
Genentech, Inc.
US Patent
| Assay Description The relative efficacies of Formula I compounds as inhibitors of an enzyme activity (or other biological activity) can be established by determining t... |
US Patent US10399939 (2019)
BindingDB Entry DOI: 10.7270/Q2G73H4H |
More data for this Ligand-Target Pair | |
Estrogen receptor
(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 | 0.100 | n/a | n/a | n/a | n/a |
Freie Universit£t Berlin
Curated by ChEMBL
| Assay Description Activation of ERalpha in human MCF7/2a 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) |