BDBM50583952 CHEMBL5076927

SMILES Fc1ccc(cc1)C1(Cn2cncn2)COC(=N1)c1cc2ccc(Cl)cc2s1

InChI Key InChIKey=KTOAMCQQWXLGKV-UHFFFAOYSA-N

Data  5 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 5 hits for monomerid = 50583952   

TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50583952(CHEMBL5076927)
Affinity DataIC50: 1.04E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50583952(CHEMBL5076927)
Affinity DataIC50: 2.87E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50583952(CHEMBL5076927)
Affinity DataIC50: 4.47E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50583952(CHEMBL5076927)
Affinity DataIC50: 1.01E+4nMAssay Description:Inhibition of CYP3A4 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50583952(CHEMBL5076927)
Affinity DataIC50: 3.13E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes incubated for 10 mins in presence of NADPH by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/6/2023
Entry Details Article
PubMed