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BDBM50048093 CHEBI:610092::CHEMBL503075::Lactoside::Methyl Beta-D-Lactoside

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]1O

InChI Key: InChIKey=FHNIYFZSHCGBPP-ABBMIVAOSA-N

Data: 7 Kd

PDB links: 1 PDB ID matches this monomer.

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 7 hits for monomerid = 50048093   
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
trans-Sialidase (TS)


(Trypanosoma cruzi)
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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n/an/an/a 1.50E+4n/an/an/an/a11



Universidade Federal do Rio de Janeiro



Assay Description
Solutions of TS, TSY342H, and TSD247A in 20 mM Tris-HCl were exchanged with deuterated PBS using four cycles of concentration with Amicon Ultra (50,0...


J Biol Chem 289: 423-36 (2014)


Article DOI: 10.1074/jbc.M112.399303
BindingDB Entry DOI: 10.7270/Q2VT1QZ8
More data for this
Ligand-Target Pair
trans-Sialidase (TS Y342H)


(Trypanosoma cruzi)
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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PubMed
n/an/an/a 5.20E+4n/an/an/an/a11



Universidade Federal do Rio de Janeiro



Assay Description
Solutions of TS, TSY342H, and TSD247A in 20 mM Tris-HCl were exchanged with deuterated PBS using four cycles of concentration with Amicon Ultra (50,0...


J Biol Chem 289: 423-36 (2014)


Article DOI: 10.1074/jbc.M112.399303
BindingDB Entry DOI: 10.7270/Q2VT1QZ8
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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n/an/an/a 1.90E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 1 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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n/an/an/a 2.30E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 9 N-terminal domain by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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PubMed
n/an/an/a 1.10E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 7 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
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Article
PubMed
n/an/an/a 6.20E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 8 N-terminal domain by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50048093
PNG
(CHEBI:610092 | CHEMBL503075 | Lactoside | Methyl B...)
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]1O
Show InChI InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
PDB
MMDB

Reactome pathway
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Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Antagonist activity against human galectin 3 by fluorescence polarization assay


Bioorg Med Chem Lett 24: 3516-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.05.063
BindingDB Entry DOI: 10.7270/Q2PC341V
More data for this
Ligand-Target Pair