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Compile Data Set for Download or QSAR

Found 22 hits Enz. Inhib. hit(s) with Target = 'Galectin-2'   
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-2


(Homo sapiens (Human))
BDBM50243801
PNG
(CHEMBL486246 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])(=O)OC |r|
Show InChI InChI=1S/C16H23O10P/c1-9-4-6-10(7-5-9)15(19)25-13-12(18)11(8-17)24-16(22-2)14(13)26-27(20,21)23-3/h4-7,11-14,16-18H,8H2,1-3H3,(H,20,21)/p-1/t11-,12+,13+,14+,16-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50574702
PNG
(CHEMBL4872829)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](OCc2nc3ccc(cc3[nH]2)C(O)=O)[C@H]1O |r|
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n/an/an/a 1.00E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243733
PNG
(CHEMBL471377 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])=O |r|
Show InChI InChI=1S/C15H21O9P/c1-8-3-5-9(6-4-8)14(18)23-12-11(17)10(7-16)22-15(21-2)13(12)24-25(19)20/h3-6,10-13,15-17,25H,7H2,1-2H3,(H,19,20)/p-1/t10-,11+,12+,13+,15-/m1/s1
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n/an/an/a 1.50E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243732
PNG
(CHEMBL511306 | triethylammonium (2R,3S,4S,5S,6R)-5...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OS([O-])(=O)=O |r|
Show InChI InChI=1S/C15H20O10S/c1-8-3-5-9(6-4-8)14(18)24-12-11(17)10(7-16)23-15(22-2)13(12)25-26(19,20)21/h3-6,10-13,15-17H,7H2,1-2H3,(H,19,20,21)/p-1/t10-,11+,12+,13+,15-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243731
PNG
((2R,3S,4S,5S,6R)-3-acetoxy-5-hydroxy-6-(hydroxymet...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(C)=O |r|
Show InChI InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50244379
PNG
((2R,3S,4S,5S,6R)-3-hydroxy-2-(hydroxymethyl)-6-met...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OC(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H26O8/c1-13-4-8-15(9-5-13)21(26)30-19-18(25)17(12-24)29-23(28-3)20(19)31-22(27)16-10-6-14(2)7-11-16/h4-11,17-20,23-25H,12H2,1-3H3/t17-,18+,19+,20+,23-/m1/s1
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n/an/an/a>4.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50244377
PNG
(CHEMBL502337 | methyl beta-D-talopyranoside)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6+,7-/m1/s1
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n/an/an/a>1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243888
PNG
(CHEMBL442951 | methyl beta-D-galactopyranoside | m...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/a 1.30E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50509538
PNG
(CHEMBL4513295)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(C)c2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO5/c1-8-4-3-5-9(6-8)15-11-12(17)10(7-16)20-14(19-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13-,14-/m1/s1
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n/an/an/a 5.20E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50509527
PNG
(CHEMBL4570596)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C13H18ClNO5/c1-19-13-12(18)10(11(17)9(6-16)20-13)15-8-4-2-3-7(14)5-8/h2-5,9-13,15-18H,6H2,1H3/t9-,10+,11+,12-,13-/m1/s1
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n/an/an/a 3.50E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50509539
PNG
(CHEMBL4445903)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(F)c(F)c2)[C@H]1O |r|
Show InChI InChI=1S/C13H17F2NO5/c1-20-13-12(19)10(11(18)9(5-17)21-13)16-6-2-3-7(14)8(15)4-6/h2-4,9-13,16-19H,5H2,1H3/t9-,10+,11+,12-,13-/m1/s1
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n/an/an/a 3.20E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243888
PNG
(CHEMBL442951 | methyl beta-D-galactopyranoside | m...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/a 1.30E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50509529
PNG
(CHEMBL4559944)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2cccc(OC)c2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-4-8(6-9)15-11-12(17)10(7-16)21-14(20-2)13(11)18/h3-6,10-18H,7H2,1-2H3/t10-,11+,12+,13-,14-/m1/s1
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n/an/an/a 1.40E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50509530
PNG
(CHEMBL4536792)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5-,6-,7-/m1/s1
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n/an/an/a 1.00E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 2 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50533580
PNG
(CHEMBL4446622)
Show SMILES [H][C@]1(O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O)S[C@@H]1O[C@H](CO)[C@H](O)[C@H](OCc2cc3ccccc3oc2=O)[C@H]1O |r|
Show InChI InChI=1S/C32H34O14S/c33-11-21-23(35)27(41-13-17-9-15-5-1-3-7-19(15)43-29(17)39)25(37)31(45-21)47-32-26(38)28(24(36)22(12-34)46-32)42-14-18-10-16-6-2-4-8-20(16)44-30(18)40/h1-10,21-28,31-38H,11-14H2/t21-,22-,23+,24+,25-,26-,27+,28+,31+,32+/m1/s1
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n/an/an/a 6.90E+3n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-2 after 5 mins in presence of fluorescent probe ,3'-dideoxy-3-[4-(fluorescein-5-yl-carbony...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-2


(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=1S/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+/m1/s1
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n/an/an/a 3.40E+5n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-2 after 5 mins in presence of fluorescent probe ,3'-dideoxy-3-[4-(fluorescein-5-yl-carbony...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243888
PNG
(CHEMBL442951 | methyl beta-D-galactopyranoside | m...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
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n/an/an/a 1.30E+7n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50572248
PNG
(CHEMBL4850222)
Show SMILES Cn1c(CO[C@@H]2C=CO[C@H](CO)[C@@H]2O)nc2ccc(cc12)C(O)=O |r,c:6|
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n/an/an/a 1.40E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50572251
PNG
(CHEMBL4860539)
Show SMILES OC[C@H]1OC=C[C@@H](OCc2nc3ccc(cc3[nH]2)C(O)=O)[C@H]1O |r,c:4|
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n/an/an/a 9.90E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50572250
PNG
(CHEMBL4860496)
Show SMILES OC[C@H]1OC=C[C@@H](OCc2ccc3ccc(cc3n2)C(O)=O)[C@H]1O |r,c:4|
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n/an/an/a 1.10E+6n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galectin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1021/acsmedchemlett.1c00371
BindingDB Entry DOI: 10.7270/Q2RB78D7
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50574701
PNG
(CHEMBL4858277)
Show SMILES Cn1c(CO[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)nc2ccc(cc12)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
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Purchase

MCE
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 2.20E+5n/an/an/an/an/a


TBA

Assay Description
Binding affinity to human galactin-2 assessed as dissociation constant by competitive fluorescence polarization assay


Citation and Details

Article DOI: 10.1016/j.ejmech.2021.113664
BindingDB Entry DOI: 10.7270/Q2DB85ND
More data for this
Ligand-Target Pair
Galectin-2


(Homo sapiens (Human))
BDBM50243734
PNG
(CHEMBL479534 | triethylazanium (2R,3S,4S,5S,6R)-5-...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](OC(=O)c2ccc(C)cc2)[C@@H]1OP([O-])(=O)OCc1ccc(C)cc1 |r|
Show InChI InChI=1S/C23H29O10P/c1-14-4-8-16(9-5-14)13-30-34(27,28)33-21-20(19(25)18(12-24)31-23(21)29-3)32-22(26)17-10-6-15(2)7-11-17/h4-11,18-21,23-25H,12-13H2,1-3H3,(H,27,28)/p-1/t18-,19+,20+,21+,23-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/an/a 4.60E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin2 by fluorescence polarization assay


Bioorg Med Chem Lett 18: 3691-4 (2008)


Article DOI: 10.1016/j.bmcl.2008.05.066
BindingDB Entry DOI: 10.7270/Q22Z15C8
More data for this
Ligand-Target Pair