BDBM50574414 CHEMBL4850845

SMILES CN[C@@H](C)C(=O)N[C@@H](C1CCCCC1)C(=O)N1CCC[C@H]1c1nc(cs1)C(=O)c1cccc(OCCOCc2cn(CCOc3ccc(Cn4c(c(C)c5cc(O)ccc45)-c4ccc(O)cc4)cc3)nn2)c1

InChI Key InChIKey=PCWWNMMGAIOQTB-AUERFDFKSA-N

Data  4 IC50

  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 4 hits for monomerid = 50574414   

TargetEstrogen receptor(Homo sapiens (Human))
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574414(CHEMBL4850845)
Affinity DataIC50:  7.30nMAssay 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 ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574414(CHEMBL4850845)
Affinity DataIC50:  40nMAssay 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 ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574414(CHEMBL4850845)
Affinity DataIC50:  24nMAssay 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 ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574414(CHEMBL4850845)
Affinity DataIC50:  61nMAssay 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 ArticlePubMed