BDBM749705 US12331038, Compound 1::acid

SMILES C[C@H]1CCN1c1nc(N2C[C@@H]3[C@@H](CC(=O)O)[C@@H]3C2)c2c(n1)C(F)(F)CC2

InChI Key InChIKey=PKCTYSZSKALNIN-UHFFFAOYSA-N

Data  1 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 1 hit for monomerid = 749705   

TargetKetohexokinase(Human)
Shandong Xuanzhu Pharma Co.

US Patent
LigandPNGBDBM749705(acid | US12331038, Compound 1)
Affinity DataIC50: 0.820nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/9/2025
Entry Details
Go to US Patent