BDBM729538 US20250101019, Example 51

SMILES Cc1ncc2nc(CC3CC3)n(Cc3c(F)cc(S(N)(=O)=O)cc3F)c2c1-c1ccccc1

InChI Key

  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 = 729538   

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Insilico Medicine IP

US Patent
LigandPNGBDBM729538(US20250101019, Example 51)
Affinity DataIC50: 0.5nMAssay Description:1. Diluted compounds in DMSO by hand for 11 points, 3 folds dilution. Then transferred 0.02 μL compounds to 384 assay plate by ECHO.2. Added 2 μL spe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/31/2025
Entry Details
US Patent

TargetEctonucleotide pyrophosphatase/phosphodiesterase family member 1(Human)
Insilico Medicine IP

US Patent
LigandPNGBDBM729538(US20250101019, Example 51)
Affinity DataIC50: 0.5nMAssay Description:1. Diluted compounds in DMSO by hand for 11 points, 3 folds dilution. Then transferred 0.02 μL compounds to 384 assay plate by ECHO.2. Added 2 μL spe...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In Depth
Date in BDB:
7/31/2025
Entry Details
US Patent