BDBM50626405 CHEMBL5409327

SMILES [H][C@@]1(O[C@H]2[C@@H](O)[C@@H](CO)O[C@H](OCCOCCOCCn3cc(CCC(=O)NC[C@H]4O[C@@H]5O[C@]6([H])[C@@H](CNC(=O)CCc7cn(CCOCCOCCO[C@H]8O[C@H](CO)[C@H](O)[C@H](OC9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9O)[C@H]8NC(C)=O)nn7)O[C@H](O[C@]7([H])[C@@H](CNC(=O)CCc8cn(CCOCCOCCO[C@H]9O[C@H](CO)[C@H](O)[C@H](O[C@]%10([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%10O)[C@H]9NC(C)=O)nn8)O[C@H](O[C@]8([H])[C@@H](CNC(=O)CCc9cn(CCOCCOCCO[C@H]%10O[C@H](CO)[C@H](O)[C@H](O[C@]%11([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%11O)[C@H]%10NC(C)=O)nn9)O[C@H](O[C@]9([H])[C@@H](CNC(=O)CCc%10cn(CCOCCOCCO[C@H]%11O[C@H](CO)[C@H](O)[C@H](O[C@]%12([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%12O)[C@H]%11NC(C)=O)nn%10)O[C@H](O[C@]%10([H])[C@@H](CNC(=O)CCc%11cn(CCOCCOCCO[C@H]%12O[C@H](CO)[C@H](O)[C@H](O[C@]%13([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%13O)[C@H]%12NC(C)=O)nn%11)O[C@H](O[C@]%11([H])[C@@H](CNC(=O)CCc%12cn(CCOCCOCCO[C@H]%13O[C@H](CO)[C@H](O)[C@H](O[C@]%14([H])O[C@H](CO)[C@H](O)[C@H](O)[C@H]%14O)[C@H]%13NC(C)=O)nn%12)O[C@H](O[C@@]4([H])[C@H](O)[C@H]5O)[C@H](O)[C@H]%11O)[C@H](O)[C@H]%10O)[C@H](O)[C@H]9O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O)[C@H](O)[C@H]6O)nn3)[C@@H]2NC(C)=O)O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O

InChI Key InChIKey=LSDCFWKTANPBFC-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 = 50626405   

TargetGalectin-3(Human)
University of Maryland

Curated by ChEMBL
LigandPNGBDBM50626405(CHEMBL5409327)
Affinity DataEC50:  3.16E+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
LigandPNGBDBM50626405(CHEMBL5409327)
Affinity DataEC50:  1.05E+4nMAssay 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