BDBM50081468 CHEMBL3422028

SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccc(O)cc1

InChI Key InChIKey=VYSGWFCGFKTGQC-UHFFFAOYSA-N

Data  5 KI  6 IC50  2 EC50

  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 13 hits for monomerid = 50081468   

TargetAromatase(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 45nMAssay Description:Inhibition of human recombinant aromatase using 7-methoxy-trifluoromethylcoumarin as substrate assessed as formation of fluorescent metabolite after ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetEstrogen receptor(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataEC50:  15nMAssay Description:Displacement of fluorescein-labeled ES2 from human recombinant ERalpha receptor after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetEstrogen receptor beta(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataEC50:  9.5nMAssay Description:Displacement of fluorescein-labeled ES2 from human recombinant ERbeta receptor after 2 hrs by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 207nMAssay Description:Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 556nMAssay Description:Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 1.88E+3nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 3.60E+3nMAssay Description:Inhibition of human recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataIC50: 6.37E+3nMAssay Description:Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  56nMAssay Description:Inhibition of human recombinant CYP1A2 assessed as metabolism of 3-cyano-7-ethoxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  423nMAssay Description:Inhibition of human recombinant CYP2D6 after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 2A6(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  710nMAssay Description:Inhibition of human recombinant CYP2A6 assessed as metabolism of coumarin to 7-hydroxycoumarin after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A5(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  855nMAssay Description:Inhibition of human recombinant CYP3A5 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Purdue University

Curated by ChEMBL
LigandPNGBDBM50081468(CHEMBL3422028)
Affinity DataKi:  1.64E+3nMAssay Description:Inhibition of human recombinant CYP3A4 assessed as metabolism of 7-benzyloxy-4-trifluoromethylcoumarin to HFC after 30 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/30/2016
Entry Details Article
PubMed