BDBM50433367 CHEMBL2377662

SMILES COC(=S)NC[C@H]1CN(C(=O)O1)c1ccc(N2CCNN(CC2)C(=O)CO)c(F)c1

InChI Key InChIKey=CVDJQEZVCYECCM-ZDUSSCGKSA-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 = 50433367   

TargetCytochrome P450 2D6(Homo sapiens (Human))
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50433367(CHEMBL2377662)
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 ArticlePubMed
TargetCytochrome P450 1A2(Homo sapiens (Human))
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50433367(CHEMBL2377662)
Affinity DataIC50: >2.00E+4nMAssay Description:Inhibition of human CYP1A2 assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCytochrome P450 2C9(Homo sapiens (Human))
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50433367(CHEMBL2377662)
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 ArticlePubMed