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PubMed code 19053747

Compile data set for download or QSAR
Found 63 hits of 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-9


(Homo sapiens (Human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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PubMed
n/an/an/a 1.80E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 8.30E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273582
PNG
(CHEMBL516152 | N-((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
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n/an/an/a 7.60E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 5.50E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 1.60E+3n/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


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
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n/an/an/a 2.50E+3n/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-9


(Homo sapiens (Human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 1.50E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273579
PNG
(CHEMBL457221 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H32N2O10S/c29-11-15-19(31)17(27-23(35)13-7-3-1-4-8-13)21(33)25(37-15)39-26-22(34)18(20(32)16(12-30)38-26)28-24(36)14-9-5-2-6-10-14/h1-10,15-22,25-26,29-34H,11-12H2,(H,27,35)(H,28,36)/t15-,16-,17+,18+,19+,20+,21-,22-,25+,26+/m1/s1
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n/an/an/a 7.00E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273582
PNG
(CHEMBL516152 | N-((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
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n/an/an/a>1.00E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a 1.70E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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n/an/an/a 2.10E+3n/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
3D
3D Structure (crystal)
Galectin-3


(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
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
3D
3D Structure (crystal)
Galectin-7


(Homo sapiens (Human))
BDBM50273579
PNG
(CHEMBL457221 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H32N2O10S/c29-11-15-19(31)17(27-23(35)13-7-3-1-4-8-13)21(33)25(37-15)39-26-22(34)18(20(32)16(12-30)38-26)28-24(36)14-9-5-2-6-10-14/h1-10,15-22,25-26,29-34H,11-12H2,(H,27,35)(H,28,36)/t15-,16-,17+,18+,19+,20+,21-,22-,25+,26+/m1/s1
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n/an/an/a 4.30E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
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
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 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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.68E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a 730n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 2.20E+4n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 2.40E+4n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.47E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
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
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 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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Homo sapiens (Human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 1.50E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(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
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 4.20E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-3


(Homo sapiens (Human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 690n/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


(Homo sapiens (Human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 3.80E+3n/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


(Homo sapiens (Human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.07E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273579
PNG
(CHEMBL457221 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H32N2O10S/c29-11-15-19(31)17(27-23(35)13-7-3-1-4-8-13)21(33)25(37-15)39-26-22(34)18(20(32)16(12-30)38-26)28-24(36)14-9-5-2-6-10-14/h1-10,15-22,25-26,29-34H,11-12H2,(H,27,35)(H,28,36)/t15-,16-,17+,18+,19+,20+,21-,22-,25+,26+/m1/s1
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n/an/an/a 4.30E+3n/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-1


(Homo sapiens (Human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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n/an/an/a 2.00E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 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-8


(Homo sapiens (Human))
BDBM50273433
PNG
(Bis-(3-O-1-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2cccc3ccccc23)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-13-5-9-17-7-1-3-11-19(17)21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 2.40E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 1.00E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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n/an/an/a 1.00E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a>1.00E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(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
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 6.20E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-9


(Homo sapiens (Human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 2.20E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 1.40E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/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 to galectin 9N terminal domain at 0 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-7


(Homo sapiens (Human))
BDBM50273580
PNG
(CHEMBL503116 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES COc1cccc(c1)C(=O)N[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H36N2O12S/c1-39-15-7-3-5-13(9-15)25(37)29-19-21(33)17(11-31)41-27(23(19)35)43-28-24(36)20(22(34)18(12-32)42-28)30-26(38)14-6-4-8-16(10-14)40-2/h3-10,17-24,27-28,31-36H,11-12H2,1-2H3,(H,29,37)(H,30,38)/t17-,18-,19+,20+,21+,22+,23-,24-,27+,28+/m1/s1
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n/an/an/a 2.10E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 6.40E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
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n/an/an/a 1.60E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 2.20E+4n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 5.50E+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-1


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a 9.60E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 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-1


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/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 to galectin 1 at 0 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-8


(Homo sapiens (Human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 4.20E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(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
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 3.80E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 4.90E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-7


(Homo sapiens (Human))
BDBM50273434
PNG
(Bis-(3-O-2-naphthoyl-beta-D-galactopyranosyl)sulfa...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H34O12S/c35-15-23-25(37)29(45-31(41)21-11-9-17-5-1-3-7-19(17)13-21)27(39)33(43-23)47-34-28(40)30(26(38)24(16-36)44-34)46-32(42)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-40H,15-16H2/t23-,24-,25+,26+,27-,28-,29+,30+,33+,34+/m1/s1
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n/an/an/a 4.80E+4n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(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
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 7 at 0 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-1


(Homo sapiens (Human))
BDBM50273431
PNG
(Bis-[3-O-(3-methoxybenzoyl)-beta-D-galactopyranosy...)
Show SMILES COc1cccc(c1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3cccc(OC)c3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O14S/c1-37-15-7-3-5-13(9-15)25(35)41-23-19(31)17(11-29)39-27(21(23)33)43-28-22(34)24(20(32)18(12-30)40-28)42-26(36)14-6-4-8-16(10-14)38-2/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 4.40E+3n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 1.03E+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 3.60E+3n/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


(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
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 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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Galectin-1


(Homo sapiens (Human))
BDBM50273579
PNG
(CHEMBL457221 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H32N2O10S/c29-11-15-19(31)17(27-23(35)13-7-3-1-4-8-13)21(33)25(37-15)39-26-22(34)18(20(32)16(12-30)38-26)28-24(36)14-9-5-2-6-10-14/h1-10,15-22,25-26,29-34H,11-12H2,(H,27,35)(H,28,36)/t15-,16-,17+,18+,19+,20+,21-,22-,25+,26+/m1/s1
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n/an/an/a 3.50E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 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-8


(Homo sapiens (Human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/m1/s1
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n/an/an/a 1.35E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(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
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 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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-7


(Homo sapiens (Human))
BDBM50273432
PNG
(Bis-[3-O-(4-methylbenzoyl)-beta-D-galactopyranosyl...)
Show SMILES Cc1ccc(cc1)C(=O)O[C@H]1[C@@H](O)[C@@H](CO)O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccc(C)cc3)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C28H34O12S/c1-13-3-7-15(8-4-13)25(35)39-23-19(31)17(11-29)37-27(21(23)33)41-28-22(34)24(20(32)18(12-30)38-28)40-26(36)16-9-5-14(2)6-10-16/h3-10,17-24,27-34H,11-12H2,1-2H3/t17-,18-,19+,20+,21-,22-,23+,24+,27+,28+/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
Binding affinity to galectin 7 at 0 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-7


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
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n/an/an/a 5.40E+4n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-3


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
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n/an/an/a 1.70E+3n/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


(Homo sapiens (Human))
BDBM50273582
PNG
(CHEMBL516152 | N-((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
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n/an/an/a 4.40E+3n/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-1


(Homo sapiens (Human))
BDBM50273582
PNG
(CHEMBL516152 | N-((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R...)
Show SMILES CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3cccc4ccccc34)[C@H]2O)[C@H](O)[C@H]1NC(C)=O
Show InChI InChI=1S/C26H34N2O11/c1-12(31)27-19-21(33)23(17(11-30)38-25(19)36-2)39-26-22(34)18(20(32)16(10-29)37-26)28-24(35)15-9-5-7-13-6-3-4-8-14(13)15/h3-9,16-23,25-26,29-30,32-34H,10-11H2,1-2H3,(H,27,31)(H,28,35)/t16-,17-,18+,19-,20+,21-,22-,23-,25-,26+/m1/s1
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n/an/an/a 2.50E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1 at 0 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-8


(Homo sapiens (Human))
BDBM50273430
PNG
(Bis-(3-O-benzoyl-beta-D-galactopyranosyl)sulfane |...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](OC(=O)c3ccccc3)[C@H]2O)[C@H](O)[C@@H](OC(=O)c2ccccc2)[C@H]1O
Show InChI InChI=1S/C26H30O12S/c27-11-15-17(29)21(37-23(33)13-7-3-1-4-8-13)19(31)25(35-15)39-26-20(32)22(18(30)16(12-28)36-26)38-24(34)14-9-5-2-6-10-14/h1-10,15-22,25-32H,11-12H2/t15-,16-,17+,18+,19-,20-,21+,22+,25+,26+/m1/s1
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n/an/an/a 1.04E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273583
PNG
((2R,3R,4S,5S,6R)-4-hydroxy-6-(hydroxymethyl)-2-met...)
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]1OC(=O)c1cccc2ccccc12
Show InChI InChI=1S/C24H30O12/c1-32-24-21(35-22(31)13-8-4-6-11-5-2-3-7-12(11)13)19(30)20(15(10-26)34-24)36-23-18(29)17(28)16(27)14(9-25)33-23/h2-8,14-21,23-30H,9-10H2,1H3/t14-,15-,16+,17+,18-,19+,20-,21-,23+,24-/m1/s1
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n/an/an/a 5.30E+5n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-8


(Homo sapiens (Human))
BDBM50273604
PNG
(CHEMBL457432 | LacNAc | N-acetyllactosamine)
Show SMILES CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@@H]1O
Show InChI InChI=1S/C14H25NO11/c1-4(18)15-7-9(20)12(6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9-,10+,11-,12-,13-,14+/m1/s1
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n/an/an/a 1.00E+6n/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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
Galectin-9


(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
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+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)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
* indicates data uncertainty>20%