BindingDB BDBM17292 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol::17 beta-Estradiol::17α-ethinylestradiol::17beta-estradiol (E2)::CHEMBL135::CS336::ESTRADIOL::Estradiol-17 alpha::Ovocyclin::US9034854, E2::US9040509, E2::US9422324, E2::US9561238, E2::[2,4,6,7-3H]-17beta-estradiol::[2,4,6,7-3H]-E2::[3H]-estradiol::[3H]]estradiol

BDBM17292 (1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadeca-2,4,6-triene-5,14-diol::17 beta-Estradiol::17α-ethinylestradiol::17beta-estradiol (E2)::CHEMBL135::CS336::ESTRADIOL::Estradiol-17 alpha::Ovocyclin::US9034854, E2::US9040509, E2::US9422324, E2::US9561238, E2::[2,4,6,7-3H]-17beta-estradiol::[2,4,6,7-3H]-E2::[3H]-estradiol::[3H]]estradiol

SMILES [H][C@@]12CC[C@H](O)[C@@]1(C)CC[C@]1([H])c3ccc(O)cc3CC[C@@]21[H]

InChI Key InChIKey=VOXZDWNPVJITMN-ZBRFXRBCSA-N

Data 35 KI 167 IC50 21 Kd 122 EC50

PDB links: 51 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 16 hits for monomerid = 17292

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.0220nMAssay Description:Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell based ERE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.310nMAssay Description:Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.260nMAssay Description:Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 0.579nMAssay 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...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 0.107nMAssay Description:Agonist activity at GAL4 DNA-binding domain fused ERalpha (unknown origin) ligand binding domain expressed in UAS-bla GripTite 293 cells assessed as ...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.25nMAssay Description:Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

Kd: 3nMAssay Description:Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 0.0460nMAssay Description:Antagonist activity at ERbeta (unknown origin) by cell-based assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 1.30nMAssay Description:Agonist activity at ERalpha (unknown origin) by cell-based assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.210nMAssay Description:Displacement of fluormone from GST-tagged ERbeta receptor LBD (unknown origin) measured after 60 mins by TR-FRET competitive binding assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.310nMAssay Description:Agonist activity at full length human ERalpha receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase repor...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.0220nMAssay Description:Agonist activity at full length human ERbeta receptor assessed as transcriptional activity incubated for 22 to 24 hrs by cell based luciferase report...More data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 0.300nMAssay Description:Displacement of fluorescent labeled 17beta-estradiol from human ERbeta ligand binding domain by TR-FRET assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

IC50: 1.90nMAssay Description:Inhibition of coactivator binding to human ERbeta ligand binding domain by TR-FRET assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Estrogen receptor beta(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.0220nMAssay Description:Agonist activity at human native full length ERbeta by cell-based transcriptional activation assayMore data for this Ligand-Target Pair

PDB Reactome pathway
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3D Structure (crystal)

Estrogen receptor(Homo sapiens (Human))
Marquette University

Curated by ChEMBL

PNG

BDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)

EC50: 0.310nMAssay Description:Agonist activity at human native full length ERalpha by cell-based transcriptional activation assayMore data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 341 hits

Targets 28▿
- Estrogen receptor beta 147
- Estrogen receptor 144
- G-protein coupled estrogen receptor 1 5
- Androgen receptor 4
- Aldehyde oxidase 4
- Aldehyde oxidase 1 3
- Isoform 1 of Steroid hormone receptor ERR2 (ERRbeta2-delta10) 3
- Steroid hormone receptor ERR1 3
- Sex hormone-binding globulin 2
- 3-hydroxyacyl-CoA dehydrogenase type-2 2
- Cytochrome P450 1B1 2
- Solute carrier family 22 member 2 2
- Solute carrier family 22 member 3 2
- Solute carrier organic anion transporter family member 2
- Steryl-sulfatase 2
- Sulfotransferase 1A1 2
- ATP-binding cassette sub-family C member 3 1
- Solute carrier family 22 member 1 1
- ATP-binding cassette sub-family C member 4 1
- G-protein coupled bile acid receptor 1 1
- Corticosteroid-binding globulin 1
- Uncharacterized PhzA/B-like protein PA3332 1
- Tyrosine-protein phosphatase non-receptor type 11 1
- Voltage-dependent L-type calcium channel subunit alpha-1C 1
- Solute carrier organic anion transporter family member 1A1 1
- Alpha-synuclein 1
- Bile salt export pump 1
- Cytochrome P450 2B6 1
- ...
Publications 50▿
- J Med Chem 55: 528-37 (2012) 8
- J Med Chem 61: 4720-4738 (2018) 7
- J Med Chem 47: 5021-40 (2004) 6
- Eur J Med Chem 157: 791-804 (2018) 6
- Bioorg Med Chem Lett 17: 2944-8 (2007) 5
- Bioorg Med Chem Lett 17: 6295-8 (2007) 5
- Bioorg Med Chem Lett 16: 834-8 (2006) 5
- J Med Chem 58: 1184-94 (2015) 4
- J Med Chem 53: 6947-53 (2010) 4
- Bioorg Med Chem Lett 73: (2022) 4
- Bioorg Med Chem 28: (2020) 4
- J Med Chem 54: 788-808 (2012) 4
- Eur J Med Chem 44: 3412-24 (2009) 4
- J Med Chem 53: 5361-5 (2010) 4
- J Med Chem 40: 2117-22 (1997) 4
- J Med Chem 32: 1642-52 (1989) 4
- J Med Chem 39: 1917-23 (1996) 4
- J Med Chem 53: 8441-60 (2010) 4
- Eur J Med Chem 54: 188-96 (2012) 4
- Eur J Med Chem 46: 2453-62 (2011) 4
- Bioorg Med Chem Lett 14: 2327-30 (2004) 4
- Bioorg Med Chem Lett 15: 5562-6 (2005) 4
- Nat Chem Biol 2: 207-12 (2006) 4
- J Med Chem 46: 4032-42 (2003) 4
- J Med Chem 49: 5404-7 (2006) 3
- J Med Chem 55: 9607-18 (2012) 3
- Br J Pharmacol 136: 829-36 (2002) 3
- Bioorg Med Chem Lett 10: 147-51 (2000) 3
- Bioorg Med Chem 22: 303-10 (2014) 3
- Toxicol Sci 136: 216-41 (2013) 3
- Bioorg Med Chem Lett 13: 1919-22 (2003) 3
- Bioorg Med Chem 28: (2020) 3
- Bioorg Med Chem Lett 16: 3896-901 (2006) 2
- J Biol Chem 288: 33894-911 (2013) 2
- Bioorg Med Chem Lett 13: 2399-403 (2003) 2
- Bioorg Med Chem Lett 24: 5265-7 (2014) 2
- Eur J Med Chem 227: (2022) 2
- J Med Chem 64: 5766-5786 (2021) 2
- Bioorg Med Chem 24: 4075-4099 (2016) 2
- J Nat Prod 81: 1343-1356 (2018) 2
- J Nat Prod 72: 1603-7 (2009) 2
- J Med Chem 54: 2005-11 (2011) 2
- Bioorg Med Chem Lett 16: 1468-72 (2006) 2
- J Med Chem 56: 2779-90 (2013) 2
- Bioorg Med Chem Lett 16: 4652-6 (2006) 2
- Drug Metab Dispos 40: 1588-95 (2012) 2
- J Med Chem 56: 3346-66 (2013) 2
- J Med Chem 48: 3953-79 (2005) 2
- Bioorg Med Chem 24: 5895-5910 (2016) 2
- Bioorg Med Chem Lett 21: 5680-3 (2011) 2
- ...
Institutions 35▿
- Merck Research Laboratories 21
- Marquette University 16
- University Of Illinois 12
- Pfizer 10
- Wyeth Research 10
- Universit£ 8
- East China University Of Science And Technology 8
- Concordia University Wisconsin 7
- Le Centre Hospitalier Universitaire De Qu£Bec 4
- Charles University In Prague 4
- Università 4
- Ohio State University 4
- Bristol-Myers Squibb Pharmaceutical Research Institute 4
- University Of New Mexico Health Sciences Center 4
- Sri International 4
- Johnson & Johnson Pharmaceutical Research And Development 4
- Kyushu University 4
- Freie Universit£T Berlin 3
- Amgen 3
- Wyeth-Ayerst Research 3
- Bayer 3
- Irbm (Merck Research Laboratories Rome) 3
- University Of Bonn 3
- Kissei Pharmaceutical 2
- University Of Alabama At Birmingham 2
- University Of Kragujevac 2
- Phenex Pharmaceuticals 2
- University Of Kansas Medical Center 2
- Rudjer Boskovic Institute 2
- Trinity College 2
- Technische Universiteit Eindhoven 2
- Key Laboratory Of Combinatorial Biosynthesis And Drug Discovery (Wuhan University) 2
- University Of Athens 2
- University Of Innsbruck 2
- Seoul National University 2
- ...
Affinity: 0.0040 to 7.7E+5 nM▿
- Ki 35
- IC50 167
- Kd 21
- EC50 122
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 2
Catalog Cmpds: 1