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PDB code 4RL7

Compile Data Set for Download or QSAR

Identical Ligands in BindingDB

Found 6 hits Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3

  (140/140 = 100%)
(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 3 in human O type red blood cells by hemagglutination assay


Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-3

  (122/140 = 87%)
(Mus musculus)
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/a 1.00E+6n/an/an/an/an/an/a



Institute of Physiological Chemistry, Faculty of Veterinary Medicine, Ludwig-Maximilians-University Munich, Veterinärstr. 13, 80539 München, Germany.

Curated by ChEMBL


Assay Description
Inhibition of galectin-3 in C57BL/6 mouse jejunum using SK-5100 as substrate incubated for 30 mins by VAA staining based microscopic analysis


Bioorg Med Chem 25: 3158-3170 (2017)


Article DOI: 10.1016/j.bmc.2017.04.011
BindingDB Entry DOI: 10.7270/Q2PN9820
More data for this
Ligand-Target Pair
Galectin-3

  (140/140 = 100%)
(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 1.10E+5n/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-3

  (140/140 = 100%)
(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 9.26E+4n/an/an/an/an/a



FCFRP - USP

Curated by ChEMBL


Assay Description
Inhibition of human recombinant wild type galectin 3 after 60 mins by surface plasmon resonance immunosensor assay


Bioorg Med Chem 23: 3414-25 (2015)


Article DOI: 10.1016/j.bmc.2015.04.044
BindingDB Entry DOI: 10.7270/Q2028T8V
More data for this
Ligand-Target Pair
Galectin-3

  (140/140 = 100%)
(Homo sapiens (Human))
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 2.30E+5n/an/an/an/an/a



Janssen Pharmaceutical Research and Development, LLC

Curated by ChEMBL


Assay Description
Binding affinity to galectin-3 (unknown origin)


J Med Chem 57: 7819-37 (2014)


Article DOI: 10.1021/jm500325k
BindingDB Entry DOI: 10.7270/Q2JW8GH3
More data for this
Ligand-Target Pair
Galectin-3

  (122/140 = 87%)
(Mus musculus)
BDBM50370453
PNG
(LACTOSE | Lactose, anhydrous)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/an/a 2.22E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Dissociation constant for mouse Galectin-3


Bioorg Med Chem Lett 15: 3344-6 (2005)


Article DOI: 10.1016/j.bmcl.2005.05.084
BindingDB Entry DOI: 10.7270/Q2D79C6D
More data for this
Ligand-Target Pair

Search BindingMOAD for More Affinity Data:

* indicates data uncertainty>20%
* 0.9 Tanimoto similarity
Identities from BLAST output