BDBM50178317 (3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,17-diol::CHEMBL437065

SMILES C[C@]12CCC3C(CC=C4C[C@@H](O)CC[C@]34C#C)C1CC[C@@H]2O

InChI Key InChIKey=ZHNQRSBGNGHLJT-BHZMNEKRSA-N

Data  3 IC50  2 EC50

  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 5 hits for monomerid = 50178317   

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

Curated by ChEMBL
LigandPNGBDBM50178317((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...)
Affinity DataEC50:  160nMAssay Description:Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50178317((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...)
Affinity DataIC50:  425nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAndrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50178317((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...)
Affinity DataIC50:  1.76E+3nMAssay Description:Inhibitory activity against ARMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50178317((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...)
Affinity DataEC50:  8nMAssay Description:Effect on transactivation of ALP gene expression in HEK293 cells transfected with hERbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50178317((3S,10S,13S,17S)-10-ethynyl-13-methyl-2,3,4,7,8,9,...)
Affinity DataIC50:  17nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed