BDBM50648643 CHEMBL5612048

SMILES CSc1ccc(COP(C)(=O)O)cc1Nc1nc(N2C[C@H]3CNC[C@H]3C2)cc(C(F)(F)F)c1C#N

InChI Key InChIKey=NSLCTDAHCNFOEO-UHFFFAOYSA-N

Data  1 IC50

PDB links: 1 PDB ID matches this monomer.

  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 = 50648643   

TargetKetohexokinase(Human)
Smith, Gambrell & Russell

Curated by ChEMBL
LigandPNGBDBM50648643(CHEMBL5612048)
Affinity DataIC50: 2.30nMMore data for this Ligand-Target Pair
Ligand InfoPDB
In Depth
Date in BDB:
10/12/2025
Entry Details
PubMedPDB3D3D Structure (crystal)