BDBM50548747 CHEMBL4745595

SMILES COc1ccccc1C1N(C(=O)c2[nH]nc(c12)C(C)(C)C)c1ccc(F)cc1

InChI Key InChIKey=RQBCWIQZVRKIGU-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 = 50548747   

TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50548747(CHEMBL4745595)
Affinity DataIC50: 7.00E+3nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetP2X purinoceptor 3(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50548747(CHEMBL4745595)
Affinity DataIC50: 9.30E+3nMAssay Description:Antagonist activity at human P2X3 receptorMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50548747(CHEMBL4745595)
Affinity DataIC50: 1.80E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50548747(CHEMBL4745595)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2022
Entry Details Article
PubMed