BDBM50574419 CHEMBL4857695

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(OCCOCc2cn(CCOc3ccc(cc3)N(Cc3cccc(O)c3Cl)CC3(CCCC3)c3ccccc3F)nn2)c1

InChI Key InChIKey=PAWSXVNEPMBDIL-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50574419   

TargetEstrogen receptor(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574419(CHEMBL4857695)
Affinity DataIC50: 198nMAssay 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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574419(CHEMBL4857695)
Affinity DataIC50: 1.13E+3nMAssay 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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574419(CHEMBL4857695)
Affinity DataIC50: 2.21E+3nMAssay 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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574419(CHEMBL4857695)
Affinity DataIC50: 3.72E+3nMAssay 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
In Depth
Date in BDB:
8/23/2022
Entry Details Article
PubMed