BDBM749706 US12331038, Compound 3-1

SMILES CC1C(F)CN1c1nc(N2C[C@@H]3C(CC(=O)O)[C@@H]3C2)c2c(n1)C(F)(F)CCC2

InChI Key InChIKey=REPUWJNLTCCWFL-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 = 749706   

TargetKetohexokinase(Human)
Shandong Xuanzhu Pharma Co.

US Patent
LigandPNGBDBM749706(US12331038, Compound 3-1)
Affinity DataIC50: 0.730nMMore data for this Ligand-Target Pair
Ligand Info
In Depth
Date in BDB:
10/9/2025
Entry Details
Go to US Patent