BDBM50605161 CHEMBL5195652

SMILES Cc1ccc(cc1)C(=O)O[C@H]2[C@H]([C@H](O[C@H]([C@H]2OC(=O)c3ccc(cc3[N+](=O)[O-])Cl)OC)CO)O

InChI Key InChIKey=FSBFERQGFVBNEJ-UHFFFAOYSA-N

Data  6 Kd

PDB links: 2 PDB IDs match this monomer.

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50605161   

TargetGalectin-1(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  1.40E+6nMAssay Description:Binding affinity to human galectin-1 using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'.(3,5-dimethoxy-benzamid...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGalectin-3(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  5.30E+3nMAssay Description:Binding affinity to human galectin-3 using 2-(fluorescein-5/6-yl-carbonylamino)-ethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fuc...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetGalectin-4(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  2.50E+5nMAssay Description:Binding affinity to human galectin-4N expressed in Escherichia coli BL21 using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-tria...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGalectin-4(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  1.80E+4nMAssay Description:Binding affinity to human galectin-4C using 2-(fluorescein-5/6-yl-carbonylamino)-ethyl 2-acetamido-2-deoxy-alpha-D-galactopyranosyl-(1-3)-[alpha-L-fu...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGalectin-8(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  4.00E+6nMAssay Description:Binding affinity to human galectin-8N using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3-triazol-1-y1]-3'.(3,5-dimethoxy-benzami...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed
TargetGalectin-8(Human)
Griffith University

Curated by ChEMBL
LigandPNGBDBM50605161(CHEMBL5195652)
Affinity DataKd:  4.50E+5nMAssay Description:Binding affinity to human galectin-8C expressed in Escherichia coli BL21(DE3) using 3,3'-dideoxy-3-[4-(fluorescein-5-yl-carbonylaminomethyl)-1H-1,2,3...More data for this Ligand-Target Pair
In Depth
Date in BDB:
6/25/2023
Entry Details
PubMed