BDBM50185851 (R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one::CHEMBL209851::rac-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahydrofluoren-3-one

SMILES CCCCC12Cc3cc(O)ccc3C1=C(Br)C(=O)CC2

InChI Key InChIKey=FTEBGBCQCYMDPH-UHFFFAOYSA-N

Data  4 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50185851   

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

Curated by ChEMBL
LigandPNGBDBM50185851((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Affinity DataIC50:  1.80nMAssay Description:Binding affinity to human ERbetaMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50185851((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Affinity DataIC50:  141nMAssay Description:Binding affinity to human ERalphaMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50185851((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Affinity DataEC50:  4nMAssay Description:Activity at human ERbeta transfected in HEK293 cells assessed as transactivation of alkaline phosphatase reporter geneMore data for this Ligand-Target Pair
TargetEstrogen receptor(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50185851((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Affinity DataIC50:  141nMAssay Description:Binding affinity to ERalpha by scintillation proximity assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50185851((R,S)-4-bromo-9a-butyl-7-hydroxy-1,2,9,9a-tetrahyd...)
Affinity DataIC50:  1.80nMAssay Description:Binding affinity to ERbeta by scintillation proximity assayMore data for this Ligand-Target Pair