BDBM50452358 CHEMBL4213815

SMILES CCOc1c(OC)cc(\C=C\C(=O)c2ccncc2)cc1OC

InChI Key InChIKey=DRSHJEXKZDUEMK-UHFFFAOYSA-N

Data  14 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 14 hits for monomerid = 50452358   

TargetCytochrome P450 1A2(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 2.21E+3nMAssay Description:Inhibition of recombinant human CYP1A2 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP2D6 expressed in HEK293 cells using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate pretreated for 30 mins followe...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP3A4 expressed in HEK293 cells using dibenzylfluorescein as substrate pretreated for 30 mins followed by substrate ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 230nMAssay Description:Inhibition of human CYP1A1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 610nMAssay Description:Inhibition of recombinant human CYP1B1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 698nMAssay Description:Inhibition of human CYP1B1 expressed in yeast microsomal membranes using 7-ethoxyresorufin as substrate measured after 10 mins by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C9 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C19 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescenc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP3A4 expressed in yeast microsomal membranes using dibenzylfluorescein as substrate measured after 10 mins by fluorescence assa...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 280nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in HEK293 cells using 7-ethoxyresorufin as substrate pretreated for 30 mins followed by substrate ad...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 2.58E+3nMAssay Description:Inhibition of human CYP1A2 expressed in yeast microsomal membranes using 3-cyano-7-ethoxycoumarin as substrate measured after 10 mins by fluorescence...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP2C9 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subst...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant human CYP2C19 expressed in HEK293 cells using 3-cyano-7-ethoxycoumarin as substrate pretreated for 30 mins followed by subs...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452358(CHEMBL4213815)
Affinity DataIC50: 1.20E+4nMAssay Description:Inhibition of human CYP2D6 expressed in yeast microsomal membranes using 7-ethoxy-methyloxy-3-cyanocoumarin as substrate measured after 10 mins by fl...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/15/2020
Entry Details Article
PubMed