BDBM50452361 CHEMBL4218749

SMILES COc1cc(\C=C\C(=O)c2ccncc2)cc(OC)c1OC

InChI Key InChIKey=IREZDVNAXQWVTB-UHFFFAOYSA-N

Data  1 KI  22 IC50  1 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 24 hits for monomerid = 50452361   

TargetCytochrome P450 1A1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataKi:  280nMAssay Description:Competitive inhibition of human CYP1A1 using 7-ethoxyresorufin as substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  5.21E+3nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  1.12E+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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C8(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  8.92E+3nMAssay Description:Inhibition of human CYP2C8 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2B6(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2B6 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  150nMAssay Description:Inhibition of human CYP1A1 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  61nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataEC50:  1.40E+4nMAssay Description:Inhibition of recombinant human CYP1A1 expressed in HEK293 cells assessed as reduction in benzo(a)pyrene-induced toxicity by measuring B[a]P EC50 at ...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2A6(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2A6 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  1.82E+3nMAssay Description:Inhibition of human CYP1A2 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C19(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  58nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  8.18E+3nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  1.09E+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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  5.00E+3nMAssay 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 DepthDetails ArticlePubMed
TargetCytochrome P450 2D6(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2E1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50: >1.00E+4nMAssay Description:Inhibition of human CYP2E1 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 1B1(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50:  6.12E+3nMAssay Description:Inhibition of human CYP1B1 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
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 DepthDetails ArticlePubMed
TargetCytochrome P450 2J2(Homo sapiens (Human))
De Montfort University

Curated by ChEMBL
LigandPNGBDBM50452361(CHEMBL4218749)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP2J2 expressed in yeast cellsMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed