BDBM50247482 CHEMBL4065371

SMILES OC[C@H]1O[C@@H](SS[C@@H]2O[C@H](CO)[C@H](O)[C@@H]([C@H]2O)n2cc(nn2)-c2ccc(F)cc2)[C@H](O)[C@H]([C@H]1O)n1cc(nn1)-c1ccc(F)cc1

InChI Key InChIKey=IKMDGHJXSXJWPV-UHFFFAOYSA-N

Data  4 Kd

  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 4 hits for monomerid = 50247482   

TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247482(CHEMBL4065371)
Affinity DataKd:  2.70nMAssay Description:Displacement of 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-yl]-3'-[4-(3,4,5-trifluorophenyl)-1H-1,2,3-triazol-1-yl]-...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
LigandPNGBDBM50247482(CHEMBL4065371)
Affinity DataKd:  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
PubMed
TargetGalectin-1(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50247482(CHEMBL4065371)
Affinity DataKd:  27nMAssay 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
LigandPNGBDBM50247482(CHEMBL4065371)
Affinity DataKd:  21nMAssay Description:Binding affinity to human galectin 3 C-terminal domain expressed in Escherichia coli BL21(DE3) by competitive isothermal titration calorimetric analy...More data for this Ligand-Target Pair
In Depth
Date in BDB:
11/2/2019
Entry Details Article
PubMed