BDBM50379197 CHEMBL2011266

SMILES Cc1cc2c(cc1F)n(c(c2C3=CC=CNC3=O)C(=O)NS(=O)(=O)C4CC4)Cc5cc(ccc5F)F

InChI Key InChIKey=GXKRHWPFLHJAKI-UHFFFAOYSA-N

Data  9 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 9 hits for monomerid = 50379197   

TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 co-incubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 co-incubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 co-incubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 co-incubated with substrateMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 preincubated prior to substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 preincubated prior to substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 preincubated prior to substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 preincubated prior to substrate additionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/7/2013
Entry Details Article
PubMed
TargetRNA-directed RNA polymerase(Hepatitis C virus genotype 1b (isolate Con1) (HCV))
Institute of Pharmaceutical Education and Research

Curated by ChEMBL
LigandPNGBDBM50379197(CHEMBL2011266)
Affinity DataIC50: 8nMAssay Description:Inhibition of HCV NS5B polymeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
8/11/2021
Entry Details Article
PubMedPDB3D3D Structure (crystal)