BDBM50466088 CHEMBL4293810

SMILES OCC1CCCC(CC1)c1ccc(O)cc1

InChI Key InChIKey=TYZPZHWTUNATHL-UHFFFAOYSA-N

Data  4 IC50  6 EC50

  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 10 hits for monomerid = 50466088   

TargetEstrogen receptor beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50:  33nMAssay Description:Agonist activity at full length ERbeta (unknown origin) after 24 hrs by cell based ERE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50:  53nMAssay Description:Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERbeta (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50:  99nMAssay Description:Inhibition of fluorescein-tagged estrogen binding to GST-tagged ERalpha (unknown origin) ligand binding domain after 1 hr by LanthaScreen TR-FRET ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataIC50: 2.70E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin) using luciferin-H as substrate preincubated for 10 mins followed by NADPH regeneration system addition and meas...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50: >1.00E+4nMAssay Description:Antagonist activity at full length ERalpha (unknown origin) assessed as reduction in E2 induced response after 24 hrs by cell based ERE-driven lucife...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50:  1.05E+4nMAssay Description:Agonist activity at full length ERalpha (unknown origin) after 24 hrs by ERE-driven luciferase reporter gene assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataIC50: 3.30E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin) using luciferin-IPA as substrate preincubated for 10 mins followed by NADPH regeneration system addition and me...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataIC50: 7.30E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin) using luciferin-ME EGE as substrate preincubated for 10 mins followed by NADPH regeneration system addition and...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataEC50: >1.00E+5nMAssay Description:Antagonist activity at full length ERbeta (unknown origin) assessed as reduction in E2 induced response after 24 hrs by cell based ERE-driven lucifer...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Marquette University

Curated by ChEMBL
LigandPNGBDBM50466088(CHEMBL4293810)
Affinity DataIC50: 1.30E+5nMAssay Description:Inhibition of CYP1A2 (unknown origin) using luciferin-ME as substrate preincubated for 10 mins followed by NADPH regeneration system addition and mea...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/18/2020
Entry Details Article
PubMed