BDBM50247507 CHEMBL4096039

SMILES Cc1ccc(cc1)S[C@H]2[C@@H]([C@H]([C@H]([C@H](O2)CO)O)n3cc(nn3)c4cc(c(c(c4)F)F)F)O

InChI Key InChIKey=QNVXTRRKWGDVAN-UHFFFAOYSA-N

Data  4 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 4 hits for monomerid = 50247507   

TargetGalectin-1(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247507(CHEMBL4096039)
Affinity DataKd:  1.80E+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
LigandPNGBDBM50247507(CHEMBL4096039)
Affinity DataKd:  5.20E+3nMAssay 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)
TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247507(CHEMBL4096039)
Affinity DataKd:  380nMAssay Description:Binding affinity to human galectin-3 assessed as dissociation constant by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247507(CHEMBL4096039)
Affinity DataKd:  380nMAssay Description:Binding affinity to human galectin-3 assessed as dissociation constant by competitive fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
6/20/2023
Entry Details
PubMedPDB3D3D Structure (crystal)