BDBM50356075 CHEMBL1911818

SMILES CN1CCN(CC1)C(=O)[C@@H](COCc1ccc2OCCOc2c1)NC(=O)c1cccnc1Oc1ccc(cc1Cl)C(F)(F)F

InChI Key InChIKey=VOUTUZMXSRIFMF-UHFFFAOYSA-N

Data  3 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50356075   

TargetCeramide glucosyltransferase(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50356075(CHEMBL1911818)
Affinity DataIC50: 0.300nMAssay Description:Inhibition of GCS activity in human A549 cells assessed as amount of GM1 on the cell membrane after 72 hrs by FL-CTB-based fluorescent microscopyMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetCeramide glucosyltransferase(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50356075(CHEMBL1911818)
Affinity DataIC50: 1nMAssay Description:Inhibition of GCS assessed as amount of UDP-glucose consumed during enzyme-catalyzed reactionMore data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed
TargetCytochrome P450 3A4(Human)
Exelixis

Curated by ChEMBL
LigandPNGBDBM50356075(CHEMBL1911818)
Affinity DataIC50: 3.30E+3nMAssay Description:Inhibition of CYP3A4 in human liver microsomes assessed as inhibition of oxidative metabolism of testosterone after 45 mins by MS analysis in the pre...More data for this Ligand-Target Pair
In Depth
Date in BDB:
7/20/2012
Entry Details Article
PubMed