BDBM50406138 CHEMBL5286071::US20250026762, Compound 61

SMILES [H][C@@]12C[C@]1([H])c1c(C2)c(nn1C(=O)N1CCN2CCC1CC2)-n1cc(cn1)C(F)(F)F

InChI Key InChIKey=BPVFCROOILGYEK-UHFFFAOYSA-N

Data  2 IC50  2 EC50

  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 4 hits for monomerid = 50406138   

TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406138(CHEMBL5286071 | US20250026762, Compound 61)
Affinity DataIC50: 33nMAssay Description:Inhibition of GCS in human fibroblastMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
Target5-hydroxytryptamine receptor 3A(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406138(CHEMBL5286071 | US20250026762, Compound 61)
Affinity DataIC50: 2.47E+3nMAssay Description:Antagonist activity at human 5HT3A expressed in HEK293 cells incubated for 1 hr by FLIPR assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/18/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406138(CHEMBL5286071 | US20250026762, Compound 61)
Affinity DataEC50:  0.100nMAssay Description:Inhibition of GCS in human A-375 cell golgi body using C6-ceramide and UDP-glucose as substrate assessed as reduction in UDP production preincubated ...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/19/2024
Entry Details
PubMed
TargetCeramide glucosyltransferase(Human)
Merck

Curated by ChEMBL
LigandPNGBDBM50406138(CHEMBL5286071 | US20250026762, Compound 61)
Affinity DataEC50:  0.100nMMore data for this Ligand-Target Pair
In Depth
Date in BDB:
5/30/2025
Entry Details
Go to US Patent