BDBM50435005 CHEMBL2386285

SMILES CC\C(=C(\c1ccc(O)cc1)c1ccc(OCCN)cc1)c1ccccc1

InChI Key InChIKey=YCQBLTPGQSYLHD-WCWDXBQESA-N

Data  5 KI  8 IC50  4 EC50

  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 17 hits for monomerid = 50435005   

TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  48nMAssay Description:Inhibition of human recombinant microsomal aromatase using 7-methoxy-4-trifluoromethylcoumarin as substrate by Lineweaver-Burk plot analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  76nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  375nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  829nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataKi:  2.18E+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 DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataEC50:  27nMAssay 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 DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataEC50:  35nMAssay 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 DepthDetails ArticlePubMed
TargetEstrogen receptor beta(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataEC50:  79nMAssay Description:Displacement of fluorescent ES2 from recombinant human ERbeta after 2 hrs in absence of light by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetEstrogen receptor(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataEC50:  59nMAssay Description:Displacement of fluorescent ES2 from recombinant human ERalpha after 2 hrs in absence of light by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  77nMAssay Description:Inhibition of recombinant human microsomal CYP19 using MFC as substrate measured after 30 mins by fluorometric analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  77nMAssay Description:Inhibition of human recombinant microsomal aromatase-mediated 7-methoxy-4-trifluoromethylcoumarin conversion to 7-hydroxytrifluoromethylcoumarin prei...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  102nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  285nMAssay 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 DepthDetails ArticlePubMed
TargetAromatase(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  90nMAssay Description:Inhibition of human recombinant placental aromataseMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A5(Homo sapiens (Human))
Purdue University

Curated by ChEMBL
LigandPNGBDBM50435005(CHEMBL2386285)
Affinity DataIC50:  723nMAssay 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 DepthDetails ArticlePubMed