BDBM50028963 3-Phenyl-1H-naphtho[2,1-b]pyran-1-one::3-Phenyl-benzo[f]chromen-1-one::3-phenyl-1H-benzo[f]chromen-1-one::CHEMBL26260::beta -naphthoflavone::beta-naphthoflavone

SMILES O=c1cc(oc2ccc3ccccc3c12)-c1ccccc1

InChI Key InChIKey=OUGIDAPQYNCXRA-UHFFFAOYSA-N

Data  1 KI  7 IC50  4 EC50

  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 12 hits for monomerid = 50028963   

TargetCytochrome P450 2A6(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2A6 (unknown origin)-mediated coumarin 7-hydroxylation after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at aryl hydrocarbon receptor in human MCF7 cells after 24 hrs CYP1A1-dependent EROD assayMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at AhR in human MCF-7 cells assessed as increase of CYP1A1-dependent 7-ethoxyresorufin O-deethylase activityMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 8.32E+3nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of Hoechst 33342 preincubated for 30 mins before Hoechst 33342 addition me...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 6.05E+3nMAssay Description:Inhibition of human BCRP expressed in MDCK2 cells assessed as accumulation of pheophorbide-A preincubated for 30 mins before pheophorbide-A addition ...More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2B6(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 2.50E+4nMAssay Description:Inhibition of CYP2B1 (unknown origin)-mediated depentylation of resorufin pentyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 470nMAssay Description:Inhibition of CYP1A2 (unknown origin)-mediated demethylation of resorufin methyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A1(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 54nMAssay Description:Inhibition of CYP1A1 (unknown origin)-mediated deethylation of resorufin ethyl ether after 5 mins by spectrofluorimetric analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataEC50:  8.40nMAssay Description:Agonist activity at AhR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Xavier University of Louisiana

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataIC50: 84nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using Phenacetin as substrate measured after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetAryl hydrocarbon receptor(Human)
The University of Tokyo

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataEC50:  1.40E+3nMAssay Description:Agonist activity at AhR (unknown origin)More data for this Ligand-Target Pair
In DepthDetails
PubMed
TargetAdenosine receptor A1(Rat)
National Institute of Diabetes

Curated by ChEMBL
LigandPNGBDBM50028963(beta-naphthoflavone | 3-phenyl-1H-benzo[f]chromen-...)
Affinity DataKi:  8.80E+3nMAssay Description:Displacement of specific [3H]PIA binding from adenosine A1 receptor in rat brain membranes.More data for this Ligand-Target Pair
In DepthDetails Article
PubMed