BDBM50604075 CHEMBL5200713

SMILES Fc1cccc(F)c1CC1(Cn2cncn2)COC(=N1)c1ccc(cc1)-c1ccsc1

InChI Key InChIKey=PGLGNKLQRKIVSS-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 = 50604075   

TargetCytochrome P450 1A2(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50604075(CHEMBL5200713)
Affinity DataIC50: 5.61E+3nMAssay Description:Inhibition of CYP1A2 in human liver microsomes using as phenacetin substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50604075(CHEMBL5200713)
Affinity DataIC50: 1.47E+3nMAssay Description:Inhibition of CYP2C9 in human liver microsomes using as diclofenac substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50604075(CHEMBL5200713)
Affinity DataIC50: 2.80E+3nMAssay Description:Inhibition of CYP2C19 in human liver microsomes using as S-mephenytoin substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 2D6(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50604075(CHEMBL5200713)
Affinity DataIC50: 1.78E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes using as dextromethorphan substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetCytochrome P450 3A4(Human)
Shenyang Pharmaceutical University

Curated by ChEMBL
LigandPNGBDBM50604075(CHEMBL5200713)
Affinity DataIC50: 1.81E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes using as midazolam substrate incubated for 10 min followed by NADPH addition for 10 mins by LC-MS/MS a...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed