BDBM50626404 CHEMBL5426908

SMILES [H][C@@]12O[C@H]3O[C@H](CNC(=O)CCc4cn(CCOCCOCCO[C@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5NC(C)=O)nn4)[C@@]([H])(O[C@H]4O[C@H](CNC(=O)CCc5cn(CCOCCOCCO[C@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6NC(C)=O)nn5)[C@@]([H])(O[C@H]5O[C@H](CNC(=O)CCc6cn(CCOCCOCCO[C@H]7O[C@H](CO)[C@H](O)[C@H](O)[C@H]7NC(C)=O)nn6)[C@@]([H])(O[C@H]6O[C@H](CNC(=O)CCc7cn(CCOCCOCCO[C@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8NC(C)=O)nn7)[C@@]([H])(O[C@H]7O[C@H](CNC(=O)CCc8cn(CCOCCOCCO[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(C)=O)nn8)[C@@]([H])(O[C@H]8O[C@H](CNC(=O)CCc9cn(CCOCCOCCO[C@H]%10O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10NC(C)=O)nn9)[C@@]([H])(O[C@@H](O[C@@H]1CNC(=O)CCc1cn(CCOCCOCCO[C@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(C)=O)nn1)[C@H](O)[C@H]2O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O

InChI Key InChIKey=PHPXSSHUJLGXNL-UHFFFAOYSA-N

Data  2 EC50

  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 = 50626404   

TargetGalectin-3(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50626404(CHEMBL5426908)
Affinity DataEC50:  1.37E+3nMAssay Description:Binding affinity to human galectin 3 by surface plasma resonance analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed
TargetGalectin-3(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50626404(CHEMBL5426908)
Affinity DataEC50:  1.50E+3nMAssay Description:Inhibition of human galectin 3 binding to human A549 cells incubated for 1 hrMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2024
Entry Details
PubMed