BDBM50532062 CHEMBL4439812

SMILES COc1ccccc1[C@H]1N(C(=O)C([O-])=C1C(=O)C(C)C)c1ccc(cc1)-c1ccsc1

InChI Key InChIKey=AMVDJWNLJDFPBW-UHFFFAOYSA-M

Data  8 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50532062   

TargetP2X purinoceptor 3(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 8nMAssay Description:Antagonist activity at human P2X3 receptor expressed in rat C6BU-1 cells measured up to 3 mins by Fluo-3/AM dye-based fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetP2X purinoceptor 2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at P2X2 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetP2X purinoceptor 7(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 1.50E+4nMAssay Description:Antagonist activity at P2X7 receptor (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 1.90E+4nMAssay Description:Inhibition of CYP2C9 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 2C19(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C19 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shionogi

Curated by ChEMBL
LigandPNGBDBM50532062(CHEMBL4439812)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
2/27/2021
Entry Details Article
PubMed