BDBM50540358 CHEMBL4647138::US11427590, Entry 38::US20240115574, Entry 38

SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CC[C@H](C1)NC(=O)Oc1ccccc1

InChI Key InChIKey=FRUASAKWCGALLP-UHFFFAOYSA-N

Data  4 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50540358   

TargetSphingomyelin phosphodiesterase 3(Human)
Academy of Sciences of the Czech Republic V.v.i.

Curated by ChEMBL
LigandPNGBDBM50540358(CHEMBL4647138 | US11427590, Entry 38 | US202401155...)
Affinity DataIC50: 300nMAssay Description:Inhibition of recombinant human nSMase2 using SM as substrate incubated for 1 hr by fluorescence assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/13/2025
Entry Details
PubMed
TargetSphingomyelin phosphodiesterase 3(Human)
Academy of Sciences of the Czech Republic V.v.i.

Curated by ChEMBL
LigandPNGBDBM50540358(CHEMBL4647138 | US11427590, Entry 38 | US202401155...)
Affinity DataIC50: 300nMAssay Description:TBDMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/29/2024
Entry Details
US Patent

TargetSphingomyelin phosphodiesterase 3(Human)
Academy of Sciences of the Czech Republic V.v.i.

Curated by ChEMBL
LigandPNGBDBM50540358(CHEMBL4647138 | US11427590, Entry 38 | US202401155...)
Affinity DataIC50: 300nMAssay Description:The fluorescence based assay to monitor the activity of human nSMase2 in the presence or absence of potential inhibitors has been described recently....More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/7/2022
Entry Details
US Patent

TargetSphingomyelin phosphodiesterase 3(Human)
Academy of Sciences of the Czech Republic V.v.i.

Curated by ChEMBL
LigandPNGBDBM50540358(CHEMBL4647138 | US11427590, Entry 38 | US202401155...)
Affinity DataIC50: 300nMAssay Description:Inhibition of human recombinant full-length nSMase expressed in HEK293 cells using sphingomyelin as substrate measured after 1 hr by alkaline phospha...More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed
TargetPhosphatidylinositol 4-kinase beta(Human)
Czech Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM50540358(CHEMBL4647138 | US11427590, Entry 38 | US202401155...)
Affinity DataIC50: 1.00E+4nMAssay Description:Inhibition of PI4K3beta (unknown origin)More data for this Ligand-Target Pair
In Depth
Date in BDB:
8/12/2021
Entry Details Article
PubMed