BDBM50581774 CHEMBL5091613

SMILES [H][C@]1(COC[C@@H]([C@H]1O)n1cc(nn1)-c1cncnc1)S[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1OC)n1cc(nn1)-c1cc(F)c(F)c(F)c1

InChI Key InChIKey=XUWUKOCAMCFANQ-COQUQQDQSA-N

Data  6 IC50

PDB links: 2 PDB IDs match 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 6 hits for monomerid = 50581774   

TargetGalectin-3(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  19nMAssay Description:Inhibition of biotin-asialofetuin binding to human Gal3 measured after 90 mins by HTRF competition assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGalectin-3(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  229nMAssay Description:Inhibition of biotin-asialofetuin binding to mouse Gal3 measured after 90 mins by HTRF competition assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGalectin-3(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  64nMAssay Description:Inhibition of human Gal3-induced chemotaxis using human monocyte incubated for 4 hrs by calcein-AM dye based assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGalectin-9(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  9.92E+3nMAssay Description:Inhibition in human Gal-9More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed
TargetGalectin-3(Mus musculus)
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  1.25E+3nMAssay Description:Inhibition of moues Gal3-induced hemagglutination using mouse RBC incubated for overnight by hemagglutination assayMore data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
TargetGalectin-1(Homo sapiens (Human))
Bristol Myers Squibb

Curated by ChEMBL
LigandPNGBDBM50581774(CHEMBL5091613)
Affinity DataIC50:  415nMAssay Description:Inhibition in human Gal-1More data for this Ligand-Target Pair
Ligand InfoPC cidPC sidPDB
In DepthDetails ArticlePubMed