BDBM50574413 CHEMBL4873959

SMILES Cc1ncsc1-c1ccc(CNC(=O)N2C[C@H](O)CC2C(=O)[C@H](NC(=O)C2(F)CC2)C(C)(C)C)c(OCCOCc2cn(CCOc3ccc(Cn4c(c(C)c5cc(O)ccc45)-c4ccc(O)cc4)cc3)nn2)c1

InChI Key InChIKey=VYYKTWKDERPACN-FFDUFJBXSA-N

Data  4 IC50

  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 4 hits for monomerid = 50574413   

TargetEstrogen receptor(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574413(CHEMBL4873959)
Affinity DataIC50:  5.30nMAssay 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(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574413(CHEMBL4873959)
Affinity DataIC50:  29nMAssay 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(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574413(CHEMBL4873959)
Affinity DataIC50:  14nMAssay 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(Human)
X-Chem

Curated by ChEMBL
LigandPNGBDBM50574413(CHEMBL4873959)
Affinity DataIC50:  52nMAssay 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