BDBM50621122 CHEMBL5436409

SMILES NS(=O)(=O)Oc1ccc(cc1)-c1sc2cc(OS(N)(=O)=O)ccc2c1C(=O)c1ccc(OCCN2CCCCC2)cc1

InChI Key InChIKey=VMIIEGLGCRYZHZ-UHFFFAOYSA-N

Data  1 KI  3 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 = 50621122   

TargetSteryl-sulfatase(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50621122(CHEMBL5436409)
Affinity DataIC50: 12nMAssay Description:Inhibition of STS in human JEG-3 cells assessed as inhibition of estrone E1 formation using [3H]estrone sulfate as substrate incubated for 20 hrs in ...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetEstrogen receptor(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50621122(CHEMBL5436409)
Affinity DataKi:  13nMAssay Description:Displacement of [3H]estradiol from human ER-alpha expressed in Sf21 cells incubated for 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetEstrogen receptor(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50621122(CHEMBL5436409)
Affinity DataIC50: 45nMAssay Description:Displacement of [3H]estradiol from human ER-alpha expressed in Sf21 cells incubated for 120 mins by scintillation counting analysisMore data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed
TargetSteryl-sulfatase(Human)
University of Sharjah

Curated by ChEMBL
LigandPNGBDBM50621122(CHEMBL5436409)
Affinity DataIC50: 97nMAssay Description:Inhibition of STS in human JEG-3 cell lysates assessed as inhibition of estrone E1 formation using [3H]estrone sulfate as substrate incubated for 1 h...More data for this Ligand-Target Pair
Ligand InfoSimilars
In Depth
Date in BDB:
12/16/2024
Entry Details
PubMed