BDBM50273580 CHEMBL503116::N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(3-methoxybenzene)amido]oxan-2-yl]sulfanyl}-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]-3-methoxybenzamide

SMILES COc1cccc(c1)C(=O)N[C@H]2[C@H]([C@H](O[C@H]([C@@H]2O)S[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)CO)O)NC(=O)c4cccc(c4)OC)O)CO)O

InChI Key InChIKey=QBKIEMZLDPHISU-UHFFFAOYSA-N

Data  5 Kd

PDB links: 1 PDB ID matches this monomer.

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Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50273580   

TargetGalectin-3(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50273580(N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Affinity DataKd:  2.10E+3nMAssay Description:Binding affinity to galectin 3 at 20 degC by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMedPDB3D3D Structure (crystal)
TargetGalectin-1(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50273580(N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Affinity DataKd:  2.00E+3nMAssay Description:Binding affinity to galectin 1 at 0 degC by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetGalectin-8(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50273580(N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Affinity DataKd:  1.00E+5nMAssay Description:Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetGalectin-9(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50273580(N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Affinity DataKd:  1.80E+3nMAssay Description:Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed
TargetGalectin-7(Human)
Lund University

Curated by ChEMBL
LigandPNGBDBM50273580(N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5R,6R)-3,5-dihyd...)
Affinity DataKd:  2.10E+3nMAssay Description:Binding affinity to galectin 7 at 0 degC by fluorescence polarization assayMore data for this Ligand-Target Pair
In Depth
Date in BDB:
12/18/2012
Entry Details Article
PubMed