BDBM50406128 CHEMBL5270537::US20250171467, Compound 4

SMILES COc1ccc(cc1)-n1nc(C(=O)N2CCCN(C)CC2)c2COCCc12

InChI Key InChIKey=NEFAWNHJRLNQCL-UHFFFAOYSA-N

Data  2 IC50  1 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 3 hits for monomerid = 50406128   

TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406128(CHEMBL5270537 | US20250171467, Compound 4)
Affinity DataIC50: 1.00E+3nMAssay Description:Inhibition of Glucosylceramide synthase (unknown origin) using C6-ceramide and UDP-glucose as substrate preincubated for 30 mins followed by substrat...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406128(CHEMBL5270537 | US20250171467, Compound 4)
Affinity DataIC50: 180nMAssay Description:Inhibition of GCS in human fibroblastMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetUDP-glucose 6-dehydrogenase(Human)
Merck Sharp & Dohme

US Patent
LigandPNGBDBM50406128(CHEMBL5270537 | US20250171467, Compound 4)
Affinity DataEC50:  940nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
9/23/2025
Entry Details
Go to US Patent