BDBM50598090 CHEMBL5207531

SMILES COc1ccc(OCc2nn3c(nnc3s2)-c2ccc(Br)cc2)cc1

InChI Key InChIKey=MBHOTGNJINNDPM-UHFFFAOYSA-N

Data  3 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 3 hits for monomerid = 50598090   

TargetCytochrome P450 1A2(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP1A2 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C9(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP2C9 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed
TargetCytochrome P450 2C19(Human)
University College London

Curated by ChEMBL
LigandPNGBDBM50598090(CHEMBL5207531)
Affinity DataIC50: 560nMAssay Description:Inhibition of CYP2C19 in human liver microsome in presence of NADPH measured after 10 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/22/2023
Entry Details
PubMed