BDBM55663 (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)-2-propen-1-one::(E)-3-(1,3-benzodioxol-5-yl)-1-(1H-pyrrol-2-yl)prop-2-en-1-one::MLS000698223::SMR000227914::cid_5787676

SMILES O=C(\C=C\c1ccc2OCOc2c1)c1ccc[nH]1

InChI Key InChIKey=OTVNXYQKOLOLGW-UHFFFAOYSA-N

Data  8 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 8 hits for monomerid = 55663   

TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 5.80E+3nMAssay Description:Inhibition of human CYP1A1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 9.70E+3nMAssay Description:Inhibition of human CYP1A2 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 1.40E+4nMAssay Description:Inhibition of human CYP2D6 bound to yeast microsomal membrane using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate after 10 mins by fluorescence ass...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP3A4 bound to yeast microsomal membrane using dibenzylfluorescein as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP1B1 bound to yeast microsomal membrane using 7-ethoxyresorufin as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C9 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C19 bound to yeast microsomal membrane using 3-cyano-7-ethoxycoumarin as substrate after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/12/2020
Entry Details Article
PubMed
TargetNeutrophil cytosol factor 1 [S99G](Human)
Emory University

Curated by PubChem BioAssay
LigandPNGBDBM55663(SMR000227914 | (E)-3-(1,3-benzodioxol-5-yl)-1-(1H-...)
Affinity DataIC50: 5.00E+4nMAssay Description:NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/7/2011
Entry Details
PCBioAssay