BDBM50540394 CHEMBL4637546::US11427590, Entry 53

SMILES COc1ccc(cc1OC)-c1c(C)nc2c(cc(C)nn12)N1CCN(C1)C(=O)OC(C)(C)C

InChI Key InChIKey=FLXZGPVDPAWTPE-UHFFFAOYSA-N

Data  2 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 2 hits for monomerid = 50540394   

TargetSphingomyelin phosphodiesterase 3(Homo sapiens)
The Johns Hopkins University

US Patent
LigandPNGBDBM50540394(CHEMBL4637546 | US11427590, Entry 53)
Affinity DataIC50:  900nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails US Patent
TargetSphingomyelin phosphodiesterase 3(Homo sapiens)
The Johns Hopkins University

US Patent
LigandPNGBDBM50540394(CHEMBL4637546 | US11427590, Entry 53)
Affinity DataIC50:  900nMAssay 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
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed