BDBM50585896 CHEMBL5085509

SMILES CC(C)(O)c1ccc(NC(=O)c2ccnn(-c3ccccc3OCC(F)(F)F)c2=O)cc1

InChI Key InChIKey=CQAPXPSWLDAVEG-UHFFFAOYSA-N

Data  3 IC50  2 EC50

  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 5 hits for monomerid = 50585896   

TargetCeramide glucosyltransferase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50585896(CHEMBL5085509)
Affinity DataIC50: 15nMAssay Description:Inhibition of human GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCeramide glucosyltransferase(Mouse)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50585896(CHEMBL5085509)
Affinity DataIC50: 190nMAssay Description:Inhibition of mouse GCS using C8-ceramide and UDP-glucose as substrate incubated for 1 hr by RapidFire mass spectrometryMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetSodium-dependent serotonin transporter(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50585896(CHEMBL5085509)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of human SERTMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetCeramide glucosyltransferase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50585896(CHEMBL5085509)
Affinity DataEC50:  4.40nMAssay Description:Inhibition of GCS in GBA mutant human fibroblasts assessed as reduction in glucosylceramide level incubated for 4 days by RapdiFire-MS/MS analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed
TargetLysosomal acid glucosylceramidase(Human)
Takeda Pharmaceutical

Curated by ChEMBL
LigandPNGBDBM50585896(CHEMBL5085509)
Affinity DataEC50: >3.00E+5nMAssay Description:Inhibition of human recombinant GCase using 4-methylumbelliferyl beta-D-glucopyranoside as substrate incubated for 20 mins by fluorescence-based anal...More data for this Ligand-Target Pair
In Depth
Date in BDB:
3/7/2023
Entry Details Article
PubMed