BDBM50441246 CHEMBL2431456

SMILES CC(C)(C)c1cc(cc(c1OC)CCc2ccc(cc2)NS(=O)(=O)C)C3=CC=CNC3=O

InChI Key InChIKey=VQCSFAUVYAVXEJ-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

  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 3 hits for monomerid = 50441246   

TargetCytochrome P450 2C19(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441246(CHEMBL2431456)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441246(CHEMBL2431456)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Hoffmann-La Roche

Curated by ChEMBL
LigandPNGBDBM50441246(CHEMBL2431456)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed