BDBM50441621 CHEMBL2437330

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

InChI Key InChIKey=UFLCSYKVIUPYKK-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 = 50441621   

TargetCytochrome P450 2D6(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50441621(CHEMBL2437330)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2D6 in human liver microsomes assessed as dextromethorphan O-demethylation after 20 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 1A2(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50441621(CHEMBL2437330)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP1A2 in human liver microsomes assessed as ethoxyresorufin O-deethylation after 20 mins by fluorescence plate reader analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetCytochrome P450 2C9(Human)
Research Foundation Itsuu Laboratory

Curated by ChEMBL
LigandPNGBDBM50441621(CHEMBL2437330)
Affinity DataIC50: 2.00E+4nMAssay Description:Inhibition of CYP2C9 in human liver microsomes assessed as tolbutamide hydroxylation after 20 mins by LC/MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed