BDBM50571113 CHEMBL4868001

SMILES CN(c1ccc(Cl)cc1)S(=O)(=O)C1CC2OC1C(=C2c1ccc(O)cc1)c1ccc(NC(=O)CCCCCCC(O)=O)cc1

InChI Key InChIKey=CAVQBTOEUUJVEG-UHFFFAOYSA-N

Data  2 KI  2 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50571113   

TargetEstrogen receptor(Human)
Wuhan University

Curated by ChEMBL
LigandPNGBDBM50571113(CHEMBL4868001)
Affinity DataIC50: 5.27E+3nMAssay Description:Antagonist activity at ERalpha (unknown origin) expressed in human HEK293T cells assessed as inhibition of 17beta-estradiol-induced transcriptional a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Wuhan University

Curated by ChEMBL
LigandPNGBDBM50571113(CHEMBL4868001)
Affinity DataIC50: 1.88E+3nMAssay Description:Antagonist activity at ERbeta (unknown origin) expressed in human HEK293T cells assessed as inhibition of 17beta-estradiol-induced transcriptional ac...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Wuhan University

Curated by ChEMBL
LigandPNGBDBM50571113(CHEMBL4868001)
Affinity DataKi:  186nMAssay Description:Binding affinity to human ERalpha LBD assessed as inhibition constant measured after 2 hrs by microplate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Wuhan University

Curated by ChEMBL
LigandPNGBDBM50571113(CHEMBL4868001)
Affinity DataKi: >5.00E+3nMAssay Description:Binding affinity to human ERbeta LBD assessed as inhibition constant measured after 2 hrs by microplate readerMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/20/2022
Entry Details Article
PubMed