BDBM50630501 CHEMBL5418180

SMILES c1ccc(cc1)Sc2cn(nn2)[C@H]3[C@H]([C@H](O[C@H]([C@@H]3O)S[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)CO)O

InChI Key InChIKey=ROQDROPGJRNKKP-UHFFFAOYSA-N

Data  2 Kd

PDB links: 1 PDB ID matches 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
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50630501   

TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50630501(CHEMBL5418180)
Affinity DataKd:  1.90E+4nMAssay Description:Binding affinity to Galectin-3 (unknown origin) assessed as dissociation constant by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50630501(CHEMBL5418180)
Affinity DataKd:  5.55E+4nMAssay Description:Binding affinity to Galectin-3 (unknown origin) assessed as dissociation constant by isothermal titration calorimetry analysisMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/20/2024
Entry Details
PubMedPDB3D3D Structure (crystal)