BDBM50247504 CHEMBL4101888

SMILES Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4ccc(cc4)F)O

InChI Key InChIKey=LEJGTTBPRKJROI-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
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50247504   

TargetGalectin-1(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247504(CHEMBL4101888)
Affinity DataKd:  1.40E+5nMAssay Description:Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxy-benzamido)-1,1'-sulfanediyl-di-beta...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2019
Entry Details Article
PubMed
TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247504(CHEMBL4101888)
Affinity DataKd:  3.10E+4nMAssay Description:Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-(3,5-dimethoxybenzamido)-1,1'-sulfanediyl-di-beta-...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2019
Entry Details Article
PubMedPDB3D3D Structure (crystal)