null

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

InChI Key InChIKey=DNXHEGUUPJUMQT-CBZIJGRNSA-N

PDB links: 5 PDB IDs match this monomer. 2 PDB IDs contain this monomer as substructures. 2 PDB IDs contain inhibitors having a similarity of 90% to this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 13 hits for monomerid = 17289   

TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  120nMAssay Description:Ability to activate estrogen receptor 2-mediated transcription.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2PVSPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  120nMAssay Description:Ability to activate estrogen receptor 1-mediated transcription.More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2HT2PVSPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  7nMAssay Description:Activity at human recombinant ERalpha by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0PMDPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  8nMAssay Description:Activity at human recombinant ERbeta by fluorescence polarization assayMore data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2RV0PMDPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  0.940nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MCFPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  2.40nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MCFPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50: >50nMAssay Description:Antagonist activity at full length human ERalpha receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell b...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MCFPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50: >10nMAssay Description:Antagonist activity at full length human ERbeta receptor assessed as inhibition of estradiol-induced activation incubated for 22 to 24 hrs by cell ba...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MCFPubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataIC50: 1.14E+3nM EC50:  2.10nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27M0665PubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataIC50: 480nM EC50:  0.700nMpH: 7.4 T: 2°CAssay Description:Radioligand binding assay was performed by using 96-well microtiterplates containing ER, 17beta-estradiol, and the test compound to be tested and SPA...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q27M0665PubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataEC50:  0.5nMAssay 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
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2ZK5MCFPubMed
TargetEstrogen receptor(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataIC50: 29nM EC50:  166nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2N82PubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL
LigandPNGBDBM17289((1S,10R,11S,15S)-5-hydroxy-15-methyltetracyclo[8.7...)copy SMILEScopy InChI
Affinity DataIC50: 31nM EC50:  26nMAssay Description:Ligand binding was determined using a scintillation proximity assay with streptavidin-coated SPA beads (Amersham) and biotinylated receptor. Receptor...More data for this Ligand-Target Pair
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q2WH2N82PubMed