BDBM50443623 CHEMBL3092417

SMILES CC(=O)NC[C@H]1CN(C(=O)O1)c1ccc(c(F)c1)-c1ccn2ccnc2c1

InChI Key InChIKey=OMGYQMYQUBRDBB-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 = 50443623   

TargetCytochrome P450 2D6(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443623(CHEMBL3092417)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2D6 assessed as dextromethorphan O-demethylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 2C9(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443623(CHEMBL3092417)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP2C9 assessed as tolbutamide hydroxylation after 20 mins by LC-MS/MS analysisMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed
TargetCytochrome P450 1A2(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50443623(CHEMBL3092417)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate readerMore data for this Ligand-Target Pair
In DepthDetails Article
PubMed