BDBM50394815 CHEMBL2163834

SMILES CN1CCN(CC1)C(=O)[C@H](Cc1ccc(Br)cc1)NC(=O)C1(CC1)c1ccc(Cl)cc1Cl

InChI Key InChIKey=YNGDZADJXARDMA-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 = 50394815   

TargetCytochrome P450 3A4(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50394815(CHEMBL2163834)
Affinity DataIC50: 480nMAssay Description:Inhibition of human CYP3A4 using testosterone as substrate after 45 minsMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCeramide glucosyltransferase(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50394815(CHEMBL2163834)
Affinity DataIC50: 14nMAssay Description:Inhibition of GCS in human A549 cells assessed as decrease in GM1 synthesis after 72 hrs by Fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed
TargetCeramide glucosyltransferase(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50394815(CHEMBL2163834)
Affinity DataIC50: 7nMAssay Description:Inhibition of GCS assessed as amount of UDP glucose after 3 hrs by Fluorometry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/17/2013
Entry Details Article
PubMed