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Compile Data Set for Download or QSAR

Found 87 hits Enz. Inhib. hit(s) with all data for entry = 50007450   
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-4


(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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Article
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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 C-terminal Galectin 4 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-7


(Homo sapiens (Human))
BDBM50509524
PNG
(CHEMBL4438703)
Show SMILES COc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-10(3-5-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-6-7-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16+,17+,18-,19-/m1/s1
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n/an/an/a 1.30E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 7 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-9


(Homo sapiens (Human))
BDBM50509525
PNG
(CHEMBL4474462)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C13H19NO5/c1-18-13-12(17)10(11(16)9(7-15)19-13)14-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10-,11+,12-,13-/m1/s1
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n/an/an/a 1.20E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509526
PNG
(CHEMBL4578860)
Show SMILES COc1cccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-3-10(7-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-5-6-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16-,17+,18-,19-/m1/s1
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n/an/an/a 4.00E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509524
PNG
(CHEMBL4438703)
Show SMILES COc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-10(3-5-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-6-7-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16+,17+,18-,19-/m1/s1
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n/an/an/a 2.80E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-4


(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 1.40E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 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-8


(Homo sapiens (Human))
BDBM50509524
PNG
(CHEMBL4438703)
Show SMILES COc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-10(3-5-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-6-7-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16+,17+,18-,19-/m1/s1
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n/an/an/a 2.40E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 8 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-1


(Homo sapiens (Human))
BDBM50509528
PNG
(CHEMBL4474507)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(OC)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-8(4-6-9)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 1.20E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-3


(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
PDB
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Article
PubMed
n/an/an/a 4.10E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 3 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-1


(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
PDB
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Article
PubMed
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 1 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-4


(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 3.10E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 4 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-4


(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 1.80E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 4 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-4


(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 6.60E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 4 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-4


(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
PDB
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n/an/an/a 2.40E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 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-4


(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 1.10E+7n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 4 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-7


(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 2.00E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 7 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-7


(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 4.80E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 7 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-7


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 9.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 7 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-7


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
PDB
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n/an/an/a 1.70E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 7 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-8


(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 6.30E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 8 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-8


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
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n/an/an/a 4.40E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 8 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-8


(Homo sapiens (Human))
BDBM50509533
PNG
(CHEMBL4557916)
Show SMILES COc1cccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-3-10(7-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-5-6-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16+,17+,18-,19-/m1/s1
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n/an/an/a 9.80E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 8 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-8


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 1.40E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 8 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-9


(Homo sapiens (Human))
BDBM50509534
PNG
(CHEMBL4447935)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(C)c(C)c2)[C@H]1O |r|
Show InChI InChI=1S/C15H23NO5/c1-8-4-5-10(6-9(8)2)16-12-13(18)11(7-17)21-15(20-3)14(12)19/h4-6,11-19H,7H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
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n/an/an/a 1.10E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(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 1.50E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509535
PNG
(CHEMBL4449294)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(OC)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-8(4-6-9)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 5.80E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509536
PNG
(CHEMBL4434806)
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 9.80E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509537
PNG
(CHEMBL4437067)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@@H](Nc2ccc(C)c(C)c2)[C@H]1O |r|
Show InChI InChI=1S/C15H23NO5/c1-8-4-5-10(6-9(8)2)16-12-13(18)11(7-17)21-15(20-3)14(12)19/h4-6,11-19H,7H2,1-3H3/t11-,12-,13+,14-,15-/m1/s1
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n/an/an/a 4.70E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(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 3.30E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 1.20E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
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n/an/an/a 1.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 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-9


(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+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509528
PNG
(CHEMBL4474507)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(OC)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO6/c1-19-9-5-3-8(4-6-9)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 4.40E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(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 6.70E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(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 1.60E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(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 2.20E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 5.80E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-9


(Homo sapiens (Human))
BDBM50509526
PNG
(CHEMBL4578860)
Show SMILES COc1cccc(N[C@@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)c1 |r|
Show InChI InChI=1S/C19H21Cl2NO5S/c1-26-11-4-2-3-10(7-11)22-16-17(24)15(9-23)27-19(18(16)25)28-12-5-6-13(20)14(21)8-12/h2-8,15-19,22-25H,9H2,1H3/t15-,16-,17+,18-,19-/m1/s1
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n/an/an/a 2.10E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 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-1


(Homo sapiens (Human))
BDBM50509540
PNG
(CHEMBL4550997)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccccc2)[C@H]1O |r|
Show InChI InChI=1S/C13H19NO5/c1-18-13-12(17)10(11(16)9(7-15)19-13)14-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12-,13-/m1/s1
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n/an/an/a 1.20E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-1


(Homo sapiens (Human))
BDBM50509534
PNG
(CHEMBL4447935)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(C)c(C)c2)[C@H]1O |r|
Show InChI InChI=1S/C15H23NO5/c1-8-4-5-10(6-9(8)2)16-12-13(18)11(7-17)21-15(20-3)14(12)19/h4-6,11-19H,7H2,1-3H3/t11-,12+,13+,14-,15-/m1/s1
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n/an/an/a 7.50E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-1


(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 1.50E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-1


(Homo sapiens (Human))
BDBM50509541
PNG
(CHEMBL4538912)
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 1.80E+6n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-1


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 4.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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-1


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
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n/an/an/a 4.60E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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))
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-3


(Homo sapiens (Human))
BDBM50509531
PNG
(CHEMBL4446731)
Show SMILES Cc1ccc(N[C@H]2[C@@H](O)[C@@H](CO)O[C@H](Sc3ccc(Cl)c(Cl)c3)[C@@H]2O)cc1C |r|
Show InChI InChI=1S/C20H23Cl2NO4S/c1-10-3-4-12(7-11(10)2)23-17-18(25)16(9-24)27-20(19(17)26)28-13-5-6-14(21)15(22)8-13/h3-8,16-20,23-26H,9H2,1-2H3/t16-,17+,18+,19-,20-/m1/s1
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n/an/an/a 1.70E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 3 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-3


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
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n/an/an/a 8.10E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 3 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-1


(Homo sapiens (Human))
BDBM50509542
PNG
(CHEMBL4552497)
Show SMILES CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](Nc2ccc(C)cc2)[C@H]1O |r|
Show InChI InChI=1S/C14H21NO5/c1-8-3-5-9(6-4-8)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 3.10E+5n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human Galectin 1 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
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