BDBM50036635 CHEMBL3354313

SMILES COc1ccc(cn1)-c1nc(CS(=O)(=O)c2cccc(Cl)c2)nc2ccsc12

InChI Key InChIKey=KBMWPOLIYQYLRJ-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50036635   

TargetCytochrome P450 1A2(Human)
Institut Pasteur Korea

Curated by ChEMBL
LigandPNGBDBM50036635(CHEMBL3354313)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP1A2 (unknown origin) after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Institut Pasteur Korea

Curated by ChEMBL
LigandPNGBDBM50036635(CHEMBL3354313)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of recombinant CYP2D6 (unknown origin) after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Institut Pasteur Korea

Curated by ChEMBL
LigandPNGBDBM50036635(CHEMBL3354313)
Affinity DataIC50: 6.71E+3nMAssay Description:Inhibition of recombinant CYP3A4 (unknown origin) after 3 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Institut Pasteur Korea

Curated by ChEMBL
LigandPNGBDBM50036635(CHEMBL3354313)
Affinity DataIC50: 5.25E+3nMAssay Description:Inhibition of recombinant CYP2C9 (unknown origin) after 10 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/15/2016
Entry Details Article
PubMed