Found 341 hits for monomerid = 17292 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| 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
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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| 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 beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 1.05 | n/a | n/a | n/a | n/a |
East China University of Science and Technology
Curated by ChEMBL
| Assay Description Agonist activity at ERalpha 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) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| 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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.20 | n/a | n/a | n/a | n/a |
Wuhan University
Curated by ChEMBL
| Assay Description Agonist activity at human ERalpha 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) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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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) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a |
Xavier University of Louisiana
Curated by ChEMBL
| Assay Description Displacement of fluormone-labeled ES2 from recombinant full length human ERalpha ligand binding domain expressed in insect cells after 2 hrs by TR-FR... |
ACS Med Chem Lett 8: 102-106 (2017)
Article DOI: 10.1021/acsmedchemlett.6b00410 BindingDB Entry DOI: 10.7270/Q2J10557 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
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| PDB PubMed
| 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)
BindingDB Entry DOI: 10.7270/Q2X350NF |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 1B1
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| DrugBank Article PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
CHU de Qu£bec - Research Center (CHUL
Curated by ChEMBL
| Assay Description Inhibition of recombinant human CYP1B1 expressed in bacterial microsomes co-expressing P450 reductase using 7-ethyl-O-resorufin as substrate after 45... |
Bioorg Med Chem Lett 26: 5272-5276 (2016)
Article DOI: 10.1016/j.bmcl.2016.09.046 BindingDB Entry DOI: 10.7270/Q2V98B2J |
More data for this Ligand-Target Pair | |
Bile salt export pump
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human BSEP overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-taurocholate in presence of ATP measured after 15 to ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
ATP-binding cassette sub-family C member 3
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP3 overexpressed in Sf9 insect cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
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| PDB Article 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)
Article DOI: 10.1016/j.ejmech.2017.07.015 BindingDB Entry DOI: 10.7270/Q2W098F7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
ATP-binding cassette sub-family C member 4
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | >1.33E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Amgen Inc
Curated by ChEMBL
| Assay Description Inhibition of human MRP4 overexpressed in Sf9 cell membrane vesicles assessed as uptake of [3H]-estradiol-17beta-D-glucuronide in presence of ATP and... |
Toxicol Sci 136: 216-41 (2013)
Article DOI: 10.1093/toxsci/kft176 BindingDB Entry DOI: 10.7270/Q2JM2D2D |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyushu University
Curated by ChEMBL
| Assay Description Antagonist activity at full length ERalpha (unknown origin) expressed in human HeLa cells incubated for 24 hrs by ERE-driven luciferase reporter gene... |
Bioorg Med Chem 25: 5216-5237 (2017)
Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1016/j.bmc.2017.07.067 BindingDB Entry DOI: 10.7270/Q26H4KVD |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 2.30 | n/a | n/a | n/a | n/a |
Evestra, Inc., 6410 Tri County Parkway, San Antonio, TX 78154, USA. Electronic address: gahmed@evestra.com.
Curated by ChEMBL
| Assay Description Binding affinity to ER (unknown origin) expressed in UAS-bla GripTite 293 cells by Select screen competitive binding assay |
Bioorg Med Chem 25: 5569-5575 (2017)
Article DOI: 10.1016/j.bmc.2017.08.027 BindingDB Entry DOI: 10.7270/Q22R3V43 |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.452 | n/a | n/a | n/a | n/a | n/a | n/a |
Longwood University
Curated by ChEMBL
| Assay Description Displacement of Fluor.ES2 Green from human ERalpha by TR-FRET competitive binding assay |
ACS Med Chem Lett 9: 51-55 (2018)
Article DOI: 10.1021/acsmedchemlett.7b00431 BindingDB Entry DOI: 10.7270/Q2TF00W6 |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 4.80 | 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 ERalpha expressed in insect cells after 2 hrs by fluorescence polarization... |
J Nat Prod 81: 1343-1356 (2018)
Article DOI: 10.1021/acs.jnatprod.7b00927 BindingDB Entry DOI: 10.7270/Q2222X9W |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/acs.jnatprod.7b00927 BindingDB Entry DOI: 10.7270/Q2222X9W |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.200 | n/a | n/a | n/a | n/a |
Hallertauer Hopfenveredelung GmbH
Curated by ChEMBL
| Assay Description Estrogenic activity at estrogen receptor alpha in human Ishikawa cells assessed as induction of alkaline phosphatase activity using p-Nitrophenol pho... |
J Nat Prod 80: 2284-2294 (2017)
Article DOI: 10.1021/acs.jnatprod.7b00284 BindingDB Entry DOI: 10.7270/Q2JH3PSG |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Similars
| PDB Article PubMed
| n/a | n/a | 5.70 | 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 alpha (unknown origin) after 2 hrs by fluorescence polarization assay |
J Med Chem 61: 514-534 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| 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 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)
Article DOI: 10.1021/acs.jmedchem.6b01917 BindingDB Entry DOI: 10.7270/Q20K2C6G |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.110 | n/a | n/a | n/a | n/a |
Nagasaki University
Curated by ChEMBL
| Assay Description Agonist activity at recombinant human GAL4-fused ERalpha expressed in HEk293 cells by luciferase reporter gene assay |
Bioorg Med Chem 26: 1638-1642 (2018)
Article DOI: 10.1016/j.bmc.2018.02.010 BindingDB Entry DOI: 10.7270/Q24170Q8 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm9701684 BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm9701684 BindingDB Entry DOI: 10.7270/Q2280B95 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Cytochrome P450 2B6
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| n/a | n/a | n/a | n/a | 4.10E+3 | n/a | n/a | n/a | n/a |
Amgen
Curated by ChEMBL
| Assay Description Induction of CYP2B6 activity in human donor hepatocytes assessed as hydroxybupropion formation after 48 hrs by LC/MS method |
Drug Metab Dispos 41: 270-4 (2013)
Article DOI: 10.1124/dmd.112.047118 BindingDB Entry DOI: 10.7270/Q2MK6GWS |
More data for this Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| 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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.310 | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Agonist activity at full length ERalpha (unknown origin) after 24 hrs by 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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | n/a | 0.260 | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass... |
Eur J Med Chem 157: 791-804 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.579 | n/a | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Agonist activity at GAL4 DNA-binding domain fused ERbeta (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as b... |
Eur J Med Chem 157: 791-804 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.107 | 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 ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as ... |
Eur J Med Chem 157: 791-804 (2018)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1016/j.ejmech.2018.08.006 BindingDB Entry DOI: 10.7270/Q2K64MS7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm030352r BindingDB Entry DOI: 10.7270/Q2M61P0X |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxyacyl-CoA dehydrogenase type-2
(Mus musculus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 7.70E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laval University
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [3H]-ALLOP to 5alpha-DHP afte... |
Bioorg Med Chem Lett 28: 3554-3559 (2018)
Article DOI: 10.1016/j.bmcl.2018.09.031 BindingDB Entry DOI: 10.7270/Q2N300N2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
3-hydroxyacyl-CoA dehydrogenase type-2
(Mus musculus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.55E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Laval University
Curated by ChEMBL
| Assay Description Inhibition of recombinant mouse full-length 17beta-HSD10 (2 to 261 residues) assessed as reduction in transformation of [14C]-E2 to E1 after 48 hrs i... |
Bioorg Med Chem Lett 28: 3554-3559 (2018)
Article DOI: 10.1016/j.bmcl.2018.09.031 BindingDB Entry DOI: 10.7270/Q2N300N2 |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| 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 beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| 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 beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm950938g BindingDB Entry DOI: 10.7270/Q2ZP48V7 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm960517e BindingDB Entry DOI: 10.7270/Q22F7R65 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm9508245 BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1021/jm9508245 BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| 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 beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article 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)
Article DOI: 10.1021/jm9508245 BindingDB Entry DOI: 10.7270/Q21G0Q0F |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(RAT-Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| 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)
Article DOI: 10.1021/jm980048b BindingDB Entry DOI: 10.7270/Q20C4ZGS |
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 [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assay |
Bioorg Med Chem 22: 303-10 (2014)
Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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Patents
Similars
| PDB Article PubMed
| n/a | n/a | 0.0460 | n/a | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Antagonist activity at ERbeta (unknown origin) by cell-based assay |
Bioorg Med Chem 22: 303-10 (2014)
Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB
UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| PDB Article PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Marquette University
Curated by ChEMBL
| Assay Description Agonist activity at ERalpha (unknown origin) by cell-based assay |
Bioorg Med Chem 22: 303-10 (2014)
Article DOI: 10.1016/j.bmc.2013.11.024 BindingDB Entry DOI: 10.7270/Q2FF3WBH |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
Solute carrier family 22 member 3
(Rattus norvegicus) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | PDB MMDB
NCI pathway Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank GoogleScholar AffyNet
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB Article PubMed
| n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT3-expressing HRPE cells |
J Biol Chem 273: 32776-86 (1998)
Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT |
More data for this Ligand-Target Pair | |
Solute carrier family 22 member 2
(RAT) | BDBM17292
((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)Show SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H] Show InChI InChI=1S/C18H24O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h3,5,10,14-17,19-20H,2,4,6-9H2,1H3/t14-,15-,16+,17+,18+/m1/s1 | UniProtKB/SwissProt
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CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| Article PubMed
| n/a | n/a | 8.48E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Medical College of Georgia
Curated by ChEMBL
| Assay Description TP_TRANSPORTER: inhibition of TEA uptake (TEA: 20 uM) in OCT2-expressing HRPE cells |
J Biol Chem 273: 32776-86 (1998)
Article DOI: 10.1074/jbc.273.49.32776 BindingDB Entry DOI: 10.7270/Q2ZK5KHT |
More data for this Ligand-Target Pair | |