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.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 17292   

TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.35nMAssay Description:Binding affinity to ERalphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity to ERbetaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.30nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.30nMAssay Description:Binding affinity to human recombinant ERalpha by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.10nMAssay Description:Binding affinity to human recombinant ERbeta by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  2.10nMAssay Description:Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbetaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.40nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  0.75nMAssay Description:Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERalphaMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  19.1nMAssay Description:Inhibitory activity against ARMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.40nMAssay Description:Binding affinity to human recombinant ERalpha by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  0.75nMAssay Description:Agonist activity at human recombinant ERalpha expressed in HEK293 cells by transactivation assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at human recombinant ERbeta expressed in HEK293 cells by transactivation assayMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  19.1nMAssay Description:Binding affinity to androgen receptorMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity to human recombinant ERbeta by scintillation proximity assayMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  0.75nMAssay Description:Agonist activity at ERalpha expressed in HEK293 cells by transactivation assayMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.20nMAssay Description:Binding affinity at human recombinant ERbetaMore data for this Ligand-Target Pair
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  26nMAssay Description:Binding affinity at ARMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataIC50:  1.40nMAssay Description:Binding affinity at human recombinant ERalphaMore data for this Ligand-Target Pair
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM17292((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...)
Affinity DataEC50:  2.10nMAssay Description:Agonist activity at ERbeta expressed in HEK293 cells by transactivation assayMore data for this Ligand-Target Pair