BDBM50121207 CHEBI:17996::CHLORIDE

SMILES Cc1ccc(-n2nnnc2CNC(=O)NC2CCCCC2)cc1C

InChI Key InChIKey=VEXZGXHMUGYJMC-UHFFFAOYSA-M

PDB links: 21080 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50121207   

TargetPyruvate kinase PKLR(Human)
Pfizer Inc.

Curated by ChEMBL
LigandChemical structure of BindingDB Monomer ID 50121207BDBM50121207(CHEMBL6091947)
Affinity DataEC50:  1.00E+5nMAssay Description:Concentration required to inhibit the VCAM-Very late antigen4 (VLA4) interaction in ELISA cell-based assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/2/2026
Entry Details ArticlePubMedPDB3D3D Structure (crystal)