null

SMILES Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCCOCc2cn(CCOc3ccc(cc3)N(Cc3cccc(O)c3Cl)CC3(CCCC3)c3ccccc3F)nn2)c1

InChI Key

  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 5 hits for monomerid = 50574420   

TargetEstrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50574420(CHEMBL4869947)copy SMILES
Affinity DataIC50: 32nMAssay Description:Binding affinity to recombinant His-tagged ERalpha LBD (307 to 554 residue) (unknown origin) expressed in Escherichia coli preincubated for 15 mins f...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26T0RG4PubMed
TargetEstrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50574420(CHEMBL4869947)copy SMILES
Affinity DataIC50: 527nMAssay Description:Binding affinity to ERalpha Y537S mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26T0RG4PubMed
TargetEstrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50574420(CHEMBL4869947)copy SMILES
Affinity DataEC50:  90nMAssay Description:Antagonist activity at ERalpha in human MCF7 cells assessed as reduction in PGR gene expression incubated for 24 hrs by qPCR analysisMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26T0RG4PubMed
TargetEstrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50574420(CHEMBL4869947)copy SMILES
Affinity DataIC50: 329nMAssay Description:Binding affinity to ERalpha D538G mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26T0RG4PubMed
TargetEstrogen receptor(Homo sapiens (Human))TBA
LigandPNGBDBM50574420(CHEMBL4869947)copy SMILES
Affinity DataIC50: 143nMAssay Description:Binding affinity to ERalpha S463P mutant (unknown origin) expressed in Escherichia coli preincubated for 15 mins followed by ligand addition and meas...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails Article
BindingDB Entry DOI: 10.7270/Q26T0RG4PubMed