BDBM50390427 CHEMBL2071343

SMILES COc1ccccc1\C=C\c1ccc(SC)cc1

InChI Key InChIKey=XXFATDVGBODBIF-UHFFFAOYSA-N

Data  2 KI  3 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 5 hits for monomerid = 50390427   

TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50390427(CHEMBL2071343)
Affinity DataKi:  41nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50390427(CHEMBL2071343)
Affinity DataIC50: 300nMAssay Description:Inhibition of human recombinant CYP1B1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCytochrome P450 1B1(Human)
Laval University

Curated by ChEMBL
LigandPNGBDBM50390427(CHEMBL2071343)
Affinity DataKi:  300nMAssay Description:Inhibition of recombinant CYP1B1 (unknown origin) expressed in supersomes coexpressing NADPH-CYP reductase using 7-ethoxyresorufin as substrate after...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/2/2019
Entry Details Article
PubMed
TargetCytochrome P450 1A1(Human)
Poznan University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50390427(CHEMBL2071343)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of human recombinant CYP1A1 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Poznan University of Medical Sciences

Curated by ChEMBL
LigandPNGBDBM50390427(CHEMBL2071343)
Affinity DataIC50: 7.50E+3nMAssay Description:Inhibition of human recombinant CYP1A2 by spectrophotometry based 7-ethoxyresorufin O-deethylation enzyme assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/8/2013
Entry Details Article
PubMed