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BDBM50077225 (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]thio}tetrahydro-2H-pyran-3,4,5-triol::CHEMBL52011::THIODIGALACTOSIDE

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

InChI Key: InChIKey=SYKYBMOFPMXDRQ-YABLJBNDNA-N

Data: 11 Kd

PDB links: 7 PDB IDs match 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 11 hits for monomerid = 50077225   
Target
(Institution)
LigandTarget
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-9


(Homo sapiens)
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 3.80E+4n/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)

More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 1.60E+5n/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)

More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 7.80E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 20 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 4.90E+4n/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)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-8


(Homo sapiens)
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 6.10E+4n/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)

More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 2.40E+4n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-1 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 4.90E+4n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5367-78 (2010)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-7


(Homo sapiens (human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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PubMed
n/an/an/a 1.60E+5n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 7 at 4 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)

More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens)
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 6.10E+4n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


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


Bioorg Med Chem 18: 5367-78 (2010)

More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 4.30E+4n/an/an/an/an/a



Utrecht University

Curated by ChEMBL


Assay Description
Binding affinity to galectin-3 (unknown origin) by fluorescence polarization assay


J Med Chem 56: 1350-4 (2013)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-9


(Homo sapiens)
BDBM50077225
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/s2
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n/an/an/a 3.80E+4n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 9 N-terminal domain at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)

More data for this
Ligand-Target Pair