BindingDB logo
myBDB logout

BDBM50273583 (2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-methoxy-5-((2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-3-yl 1-naphthoate::CHEMBL457430

SMILES: CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12

InChI Key: InChIKey=CNUQWQWKOYKPBP-AGZUGLJOSA-N

Data: 5 Kd

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50273583   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 2.50E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 3 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 7 at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 1.60E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1OC(=O)c1cccc2ccccc12 |r|
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 5.30E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 8N terminal domain at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair