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PubMed code 18674915

Compile data set for download or QSAR
Found 77 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-3


(Homo sapiens (Human))		BDBM50272380
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(6-((2R,3S,...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#CC#CCS[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C30H46O20S2/c31-7-11-15(35)17(37)21(41)27(45-11)49-25-13(9-33)47-29(23(43)19(25)39)51-5-3-1-2-4-6-52-30-24(44)20(40)26(14(10-34)48-30)50-28-22(42)18(38)16(36)12(8-32)46-28/h11-44H,5-10H2/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+,23-,24+,25-,26+,27+,28-,29+,30-
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n/an/a 1.60E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272418
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-((1-((2S,3S...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCc3cn(nn3)[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H45N3O20S/c31-2-8-12(35)14(37)19(42)25(46-8)49-22-10(4-33)45-24(18(41)16(22)39)30-1-7(28-29-30)6-51-27-21(44)17(40)23(11(5-34)48-27)50-26-20(43)15(38)13(36)9(3-32)47-26/h1,8-27,31-44H,2-6H2/t8-,9+,10-,11+,12+,13-,14+,15-,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,27-/m0/s1
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n/an/a 1.60E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272147
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6R)-6-(6-((2S,3S,...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@H](OCCCCCCOC3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C30H54O22/c31-7-11-15(35)17(37)21(41)29(47-11)51-25-13(9-33)49-27(23(43)19(25)39)45-5-3-1-2-4-6-46-28-24(44)20(40)26(14(10-34)50-28)52-30-22(42)18(38)16(36)12(8-32)48-30/h11-44H,1-10H2/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+,23-,24+,25-,26+,27-,28?,29+,30-/m1/s1
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n/an/a 1.63E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of galectin 3

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272418
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-((1-((2S,3S...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCc3cn(nn3)[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C27H45N3O20S/c31-2-8-12(35)14(37)19(42)25(46-8)49-22-10(4-33)45-24(18(41)16(22)39)30-1-7(28-29-30)6-51-27-21(44)17(40)23(11(5-34)48-27)50-26-20(43)15(38)13(36)9(3-32)47-26/h1,8-27,31-44H,2-6H2/t8-,9+,10-,11+,12+,13-,14+,15-,16-,17+,18-,19-,20+,21+,22-,23+,24-,25+,26-,27-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272383
PNG
((2S,3R,4R,5R,6R)-2-(3-(4-(3-((2R,3S,4S,5R,6S)-3,4-...)
Show SMILES CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)SCC#Cc1ccc(cc1)C#CCS[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]1O |r|
Show InChI InChI=1S/C38H52O21S2/c1-16(43)53-34-31(52)38(57-22(15-42)33(34)59-36-29(50)26(47)24(45)20(13-40)55-36)61-11-3-5-18-8-6-17(7-9-18)4-2-10-60-37-30(51)27(48)32(21(14-41)56-37)58-35-28(49)25(46)23(44)19(12-39)54-35/h6-9,19-42,44-52H,10-15H2,1H3/t19-,20+,21-,22+,23+,24-,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37+,38-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272380
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(6-((2R,3S,...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#CC#CCS[C@H]3O[C@@H](CO)[C@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]4O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C30H46O20S2/c31-7-11-15(35)17(37)21(41)27(45-11)49-25-13(9-33)47-29(23(43)19(25)39)51-5-3-1-2-4-6-52-30-24(44)20(40)26(14(10-34)48-30)50-28-22(42)18(38)16(36)12(8-32)46-28/h11-44H,5-10H2/t11-,12+,13-,14+,15+,16-,17+,18-,19-,20+,21-,22+,23-,24+,25-,26+,27+,28-,29+,30-
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272419
PNG
((2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-dihyd...)
Show SMILES OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H]([C@@H](O)[C@@H]2O)n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)16(34)20(37-7)39-18-9(4-27)36-19(15(33)14(18)32)24-1-6(22-23-24)5-40-21-17(35)13(31)11(29)8(3-26)38-21/h1,7-21,25-35H,2-5H2/t7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272379
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCc3cn(nn3)[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)15(33)19(36-7)24-1-6(22-23-24)5-40-21-17(35)14(32)18(9(4-27)38-21)39-20-16(34)13(31)11(29)8(3-26)37-20/h1,7-21,25-35H,2-5H2/t7-,8+,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+,19-,20-,21-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272383
PNG
((2S,3R,4R,5R,6R)-2-(3-(4-(3-((2R,3S,4S,5R,6S)-3,4-...)
Show SMILES CC(=O)O[C@@H]1[C@@H](O)[C@@H](O[C@H](CO)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)SCC#Cc1ccc(cc1)C#CCS[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]1O |r|
Show InChI InChI=1S/C38H52O21S2/c1-16(43)53-34-31(52)38(57-22(15-42)33(34)59-36-29(50)26(47)24(45)20(13-40)55-36)61-11-3-5-18-8-6-17(7-9-18)4-2-10-60-37-30(51)27(48)32(21(14-41)56-37)58-35-28(49)25(46)23(44)19(12-39)54-35/h6-9,19-42,44-52H,10-15H2,1H3/t19-,20+,21-,22+,23+,24-,25+,26-,27-,28-,29+,30-,31+,32-,33+,34+,35+,36-,37+,38-/m0/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272381
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H24O10S/c1-2-3-26-15-12(22)10(20)13(7(5-17)24-15)25-14-11(21)9(19)8(18)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
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n/an/a 3.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272206
PNG
((E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-bu...)
Show SMILES COC(=O)\C=C(/C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H22O7/c1-23-14(19)8-11(10-5-3-2-4-6-10)7-12-15(20)17(22)16(21)13(9-18)24-12/h2-6,8,12-13,15-18,20-22H,7,9H2,1H3/b11-8+/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 3.13E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272381
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCC#C)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H24O10S/c1-2-3-26-15-12(22)10(20)13(7(5-17)24-15)25-14-11(21)9(19)8(18)6(4-16)23-14/h1,6-22H,3-5H2/t6-,7-,8+,9+,10-,11-,12-,13-,14+,15+/m1/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272379
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@@H](CO)O[C@@H](SCc3cn(nn3)[C@H]3O[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)15(33)19(36-7)24-1-6(22-23-24)5-40-21-17(35)14(32)18(9(4-27)38-21)39-20-16(34)13(31)11(29)8(3-26)37-20/h1,7-21,25-35H,2-5H2/t7-,8+,9+,10+,11-,12+,13-,14+,15-,16+,17+,18+,19-,20-,21-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272419
PNG
((2S,3R,4S,5R,6R)-2-((1-((2S,3S,4S,5R,6S)-3,4-dihyd...)
Show SMILES OC[C@@H]1O[C@H](O[C@H]2[C@H](CO)O[C@@H]([C@@H](O)[C@@H]2O)n2cc(CS[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)[C@@H](O)[C@H](O)[C@@H]1O |r|
Show InChI InChI=1S/C21H35N3O15S/c25-2-7-10(28)12(30)16(34)20(37-7)39-18-9(4-27)36-19(15(33)14(18)32)24-1-6(22-23-24)5-40-21-17(35)13(31)11(29)8(3-26)38-21/h1,7-21,25-35H,2-5H2/t7-,8+,9-,10+,11-,12+,13-,14-,15-,16-,17+,18-,19-,20+,21-/m0/s1
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n/an/a 6.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


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



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-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 |r|
Show InChI InChI=1S/C12H22O11/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5+,6+,7-,8-,9-,10-,11-,12+/m1/s1
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n/an/a 8.00E+5n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272420
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((1-((2S,3S,4...)
Show SMILES OC[C@H]1O[C@@H](SCc2cn(nn2)[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/C15H25N3O10S/c19-2-6-8(21)10(23)12(25)14(27-6)18-1-5(16-17-18)4-29-15-13(26)11(24)9(22)7(3-20)28-15/h1,6-15,19-26H,2-4H2/t6-,7+,8+,9-,10+,11-,12-,13+,14-,15-/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272261
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H24N2O7S2/c1-11-17(9-15-18(25)20(27)19(26)16(10-24)30-15)31-21(22-11)23-32(28,29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18-20,24-27H,9-10H2,1H3,(H,22,23)/t15-,16+,18-,19-,20+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272384
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(3-((2R...)
Show SMILES OC[C@H]1O[C@@H](SCC#Cc2ccc(cc2)C#CCS[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/C24H30O10S2/c25-11-15-17(27)19(29)21(31)23(33-15)35-9-1-3-13-5-7-14(8-6-13)4-2-10-36-24-22(32)20(30)18(28)16(12-26)34-24/h5-8,15-32H,9-12H2/t15-,16+,17+,18-,19+,20-,21-,22+,23+,24-
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272303
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenz...)
Show SMILES Cc1nc(NCc2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H23N3O7S/c1-9-14(6-12-15(23)17(25)16(24)13(8-22)28-12)29-18(20-9)19-7-10-2-4-11(5-3-10)21(26)27/h2-5,12-13,15-17,22-25H,6-8H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272382
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-ynylt...)
Show SMILES OC[C@H]1O[C@@H](SCC#C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14O5S/c1-2-3-15-9-8(13)7(12)6(11)5(4-10)14-9/h1,5-13H,3-4H2/t5-,6+,7+,8-,9+/m1/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272303
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-4-nitrobenz...)
Show SMILES Cc1nc(NCc2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H23N3O7S/c1-9-14(6-12-15(23)17(25)16(24)13(8-22)28-12)29-18(20-9)19-7-10-2-4-11(5-3-10)21(26)27/h2-5,12-13,15-17,22-25H,6-8H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272333
PNG
(2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methyl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C19H24N2O7S/c1-9-14(7-12-15(23)17(25)16(24)13(8-22)28-12)29-19(20-9)21-18(26)10-3-5-11(27-2)6-4-10/h3-6,12-13,15-17,22-25H,7-8H2,1-2H3,(H,20,21,26)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272334
PNG
(2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-m...)
Show SMILES Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21BrN2O6S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)27-11)28-18(20-8)21-17(26)9-2-4-10(19)5-3-9/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,20,21,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272301
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibrom...)
Show SMILES Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Br)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H20Br2N2O7S2/c1-7-12(5-10-14(23)16(25)15(24)11(6-22)28-10)29-17(20-7)21-30(26,27)13-4-8(18)2-3-9(13)19/h2-4,10-11,14-16,22-25H,5-6H2,1H3,(H,20,21)/t10-,11+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272334
PNG
(2-p-Bromobenzamido-5-(beta-D-galactopyranosyl)-4-m...)
Show SMILES Cc1nc(NC(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21BrN2O6S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)27-11)28-18(20-8)21-17(26)9-2-4-10(19)5-3-9/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,20,21,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272304
PNG
(2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H22N2O6S/c1-9-13(7-11-14(22)16(24)15(23)12(8-21)26-11)27-18(19-9)20-17(25)10-5-3-2-4-6-10/h2-6,11-12,14-16,21-24H,7-8H2,1H3,(H,19,20,25)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a 2.50E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272204
PNG
((2S,3R,4R,5R,6R)-2-cinnamyl-6-(hydroxymethyl)-tetr...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H20O5/c16-9-12-14(18)15(19)13(17)11(20-12)8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12+,13-,14-,15+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272258
PNG
((2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(2-(3-nitroph...)
Show SMILES OC[C@H]1O[C@@H](CC(=C)c2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H19NO7/c1-8(9-3-2-4-10(6-9)16(21)22)5-11-13(18)15(20)14(19)12(7-17)23-11/h2-4,6,11-15,17-20H,1,5,7H2/t11-,12+,13-,14-,15+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272207
PNG
((2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2cccc(\C=C\C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272333
PNG
(2-p-Anisamido-5-(beta-D-galactopyranosyl)-4-methyl...)
Show SMILES COc1ccc(cc1)C(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C19H24N2O7S/c1-9-14(7-12-15(23)17(25)16(24)13(8-22)28-12)29-19(20-9)21-18(26)10-3-5-11(27-2)6-4-10/h3-6,12-13,15-17,22-25H,7-8H2,1-2H3,(H,20,21,26)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272208
PNG
((2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(2-(4-methoxy...)
Show SMILES COc1ccc(cc1)C(=C)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H22O6/c1-9(10-3-5-11(21-2)6-4-10)7-12-14(18)16(20)15(19)13(8-17)22-12/h3-6,12-20H,1,7-8H2,2H3/t12-,13+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50255142
PNG
(1-((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES CC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H16O6/c1-4(11)2-5-7(12)9(14)8(13)6(3-10)15-5/h5-10,12-14H,2-3H2,1H3/t5-,6+,7-,8-,9+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272335
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylaceta...)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H24N2O6S/c1-10-14(8-12-16(24)18(26)17(25)13(9-22)27-12)28-19(20-10)21-15(23)7-11-5-3-2-4-6-11/h2-6,12-13,16-18,22,24-26H,7-9H2,1H3,(H,20,21,23)/t12-,13+,16-,17-,18+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272336
PNG
(2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES CC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C13H20N2O6S/c1-5-9(22-13(14-5)15-6(2)17)3-7-10(18)12(20)11(19)8(4-16)21-7/h7-8,10-12,16,18-20H,3-4H2,1-2H3,(H,14,15,17)/t7-,8+,10-,11-,12+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272300
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-But...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H30N2O7S2/c1-11-16(9-14-17(25)19(27)18(26)15(10-24)30-14)31-20(22-11)23-32(28,29)13-7-5-12(6-8-13)21(2,3)4/h5-8,14-15,17-19,24-27H,9-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18-,19+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272260
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophe...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H21BrN2O7S2/c1-8-13(6-11-14(22)16(24)15(23)12(7-21)27-11)28-17(19-8)20-29(25,26)10-4-2-9(18)3-5-10/h2-5,11-12,14-16,21-24H,6-7H2,1H3,(H,19,20)/t11-,12+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272300
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-tert-But...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(cc2)C(C)(C)C)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H30N2O7S2/c1-11-16(9-14-17(25)19(27)18(26)15(10-24)30-14)31-20(22-11)23-32(28,29)13-7-5-12(6-8-13)21(2,3)4/h5-8,14-15,17-19,24-27H,9-10H2,1-4H3,(H,22,23)/t14-,15+,17-,18-,19+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272417
PNG
(CHEMBL522064 | Dimeric galactoside)
Show SMILES OC[C@H]1O[C@@H](SCC#CC#CCS[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/C18H26O10S2/c19-7-9-11(21)13(23)15(25)17(27-9)29-5-3-1-2-4-6-30-18-16(26)14(24)12(22)10(8-20)28-18/h9-26H,5-8H2/t9-,10+,11+,12-,13-,14-,15-,16+,17+,18-/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272262
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H21ClN2O7S2/c1-8-12(6-10-14(22)16(24)15(23)11(7-21)27-10)28-17(19-8)20-29(25,26)13-5-3-2-4-9(13)18/h2-5,10-11,14-16,21-24H,6-7H2,1H3,(H,19,20)/t10-,11+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272205
PNG
((E)-Methyl 4-(beta-D-galactopyranosyl)-but-2-enoat...)
Show SMILES COC(=O)\C=C\C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18O7/c1-17-8(13)4-2-3-6-9(14)11(16)10(15)7(5-12)18-6/h2,4,6-7,9-12,14-16H,3,5H2,1H3/b4-2+/t6-,7+,9-,10-,11+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272301
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2,5-dibrom...)
Show SMILES Cc1nc(NS(=O)(=O)c2cc(Br)ccc2Br)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H20Br2N2O7S2/c1-7-12(5-10-14(23)16(25)15(24)11(6-22)28-10)29-17(20-7)21-30(26,27)13-4-8(18)2-3-9(13)19/h2-4,10-11,14-16,22-25H,5-6H2,1H3,(H,20,21)/t10-,11+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272207
PNG
((2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2cccc(\C=C\C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272378
PNG
(5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-me...)
Show SMILES COC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C13H20N2O7S/c1-5-8(23-12(14-5)15-13(20)21-2)3-6-9(17)11(19)10(18)7(4-16)22-6/h6-7,9-11,16-19H,3-4H2,1-2H3,(H,14,15,20)/t6-,7+,9-,10-,11+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272151
PNG
((2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-eny...)
Show SMILES C\C=C\[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2-3,5-13H,4H2,1H3/b3-2+/t5-,6+,7-,8-,9+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272420
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-((1-((2S,3S,4...)
Show SMILES OC[C@H]1O[C@@H](SCc2cn(nn2)[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/C15H25N3O10S/c19-2-6-8(21)10(23)12(25)14(27-6)18-1-5(16-17-18)4-29-15-13(26)11(24)9(22)7(3-20)28-15/h1,6-15,19-26H,2-4H2/t6-,7+,8+,9-,10+,11-,12-,13+,14-,15-/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272259
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N2O7S2/c1-9-3-5-11(6-4-9)29(25,26)20-18-19-10(2)14(28-18)7-12-15(22)17(24)16(23)13(8-21)27-12/h3-6,12-13,15-17,21-24H,7-8H2,1-2H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272260
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-bromophe...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(Br)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H21BrN2O7S2/c1-8-13(6-11-14(22)16(24)15(23)12(7-21)27-11)28-17(19-8)20-29(25,26)10-4-2-9(18)3-5-10/h2-5,11-12,14-16,21-24H,6-7H2,1H3,(H,19,20)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272259
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(4-methyl-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc(C)cc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N2O7S2/c1-9-3-5-11(6-4-9)29(25,26)20-18-19-10(2)14(28-18)7-12-15(22)17(24)16(23)13(8-21)27-12/h3-6,12-13,15-17,21-24H,7-8H2,1-2H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272304
PNG
(2-Benzamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES Cc1nc(NC(=O)c2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H22N2O6S/c1-9-13(7-11-14(22)16(24)15(23)12(8-21)26-11)27-18(19-9)20-17(25)10-5-3-2-4-6-10/h2-6,11-12,14-16,21-24H,7-8H2,1H3,(H,19,20,25)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272262
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(2-chloro-p...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccccc2Cl)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C17H21ClN2O7S2/c1-8-12(6-10-14(22)16(24)15(23)11(7-21)27-10)28-17(19-8)20-29(25,26)13-5-3-2-4-9(13)18/h2-5,10-11,14-16,21-24H,6-7H2,1H3,(H,19,20)/t10-,11+,14-,15-,16+/m0/s1
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Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272258
PNG
((2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(2-(3-nitroph...)
Show SMILES OC[C@H]1O[C@@H](CC(=C)c2cccc(c2)[N+]([O-])=O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H19NO7/c1-8(9-3-2-4-10(6-9)16(21)22)5-11-13(18)15(20)14(19)12(7-17)23-11/h2-4,6,11-15,17-20H,1,5,7H2/t11-,12+,13-,14-,15+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272205
PNG
((E)-Methyl 4-(beta-D-galactopyranosyl)-but-2-enoat...)
Show SMILES COC(=O)\C=C\C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C11H18O7/c1-17-8(13)4-2-3-6-9(14)11(16)10(15)7(5-12)18-6/h2,4,6-7,9-12,14-16H,3,5H2,1H3/b4-2+/t6-,7+,9-,10-,11+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272336
PNG
(2-Acetamido-5-(beta-D-galactopyranosyl)-4-methylth...)
Show SMILES CC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C13H20N2O6S/c1-5-9(22-13(14-5)15-6(2)17)3-7-10(18)12(20)11(19)8(4-16)21-7/h7-8,10-12,16,18-20H,3-4H2,1-2H3,(H,14,15,17)/t7-,8+,10-,11-,12+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272332
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-p-nitro-ben...)
Show SMILES Cc1nc(NC(=O)c2ccc(cc2)[N+]([O-])=O)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H21N3O8S/c1-8-13(6-11-14(23)16(25)15(24)12(7-22)29-11)30-18(19-8)20-17(26)9-2-4-10(5-3-9)21(27)28/h2-5,11-12,14-16,22-25H,6-7H2,1H3,(H,19,20,26)/t11-,12+,14-,15-,16+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272382
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-ynylt...)
Show SMILES OC[C@H]1O[C@@H](SCC#C)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H14O5S/c1-2-3-15-9-8(13)7(12)6(11)5(4-10)14-9/h1,5-13H,3-4H2/t5-,6+,7+,8-,9+/m1/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair		3D
3D Structure (docked)
Galectin-1


(Homo sapiens (Human))		BDBM50272335
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-phenylaceta...)
Show SMILES Cc1nc(NC(=O)Cc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C19H24N2O6S/c1-10-14(8-12-16(24)18(26)17(25)13(9-22)27-12)28-19(20-10)21-15(23)7-11-5-3-2-4-6-11/h2-6,12-13,16-18,22,24-26H,7-9H2,1H3,(H,20,21,23)/t12-,13+,16-,17-,18+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50255142
PNG
(1-((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymet...)
Show SMILES CC(=O)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H16O6/c1-4(11)2-5-7(12)9(14)8(13)6(3-10)15-5/h5-10,12-14H,2-3H2,1H3/t5-,6+,7-,8-,9+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272206
PNG
((E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-bu...)
Show SMILES COC(=O)\C=C(/C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1 |r|
Show InChI InChI=1S/C17H22O7/c1-23-14(19)8-11(10-5-3-2-4-6-10)7-12-15(20)17(22)16(21)13(9-18)24-12/h2-6,8,12-13,15-18,20-22H,7,9H2,1H3/b11-8+/t12-,13+,15-,16-,17+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272302
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-benzylamino...)
Show SMILES Cc1nc(NCc2ccccc2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C18H24N2O5S/c1-10-14(7-12-15(22)17(24)16(23)13(9-21)25-12)26-18(20-10)19-8-11-5-3-2-4-6-11/h2-6,12-13,15-17,21-24H,7-9H2,1H3,(H,19,20)/t12-,13+,15-,16-,17+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272204
PNG
((2S,3R,4R,5R,6R)-2-cinnamyl-6-(hydroxymethyl)-tetr...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2ccccc2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C15H20O5/c16-9-12-14(18)15(19)13(17)11(20-12)8-4-7-10-5-2-1-3-6-10/h1-7,11-19H,8-9H2/b7-4+/t11-,12+,13-,14-,15+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272417
PNG
(CHEMBL522064 | Dimeric galactoside)
Show SMILES OC[C@H]1O[C@@H](SCC#CC#CCS[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/C18H26O10S2/c19-7-9-11(21)13(23)15(25)17(27-9)29-5-3-1-2-4-6-30-18-16(26)14(24)12(22)10(8-20)28-18/h9-26H,5-8H2/t9-,10+,11+,12-,13-,14-,15-,16+,17+,18-/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272378
PNG
(5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-me...)
Show SMILES COC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1 |r|
Show InChI InChI=1S/C13H20N2O7S/c1-5-8(23-12(14-5)15-13(20)21-2)3-6-9(17)11(19)10(18)7(4-16)22-6/h6-7,9-11,16-19H,3-4H2,1-2H3,(H,14,15,20)/t6-,7+,9-,10-,11+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272208
PNG
((2R,3R,4R,5R,6S)-2-(hydroxymethyl)-6-(2-(4-methoxy...)
Show SMILES COc1ccc(cc1)C(=C)C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C16H22O6/c1-9(10-3-5-11(21-2)6-4-10)7-12-14(18)16(20)15(19)13(8-17)22-12/h3-6,12-20H,1,7-8H2,2H3/t12-,13+,14-,15-,16+/m0/s1
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n/an/a 5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272261
PNG
(5-(beta-D-Galactopyranosyl)-4-methyl-2-(b-naphthyl...)
Show SMILES Cc1nc(NS(=O)(=O)c2ccc3ccccc3c2)sc1C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C21H24N2O7S2/c1-11-17(9-15-18(25)20(27)19(26)16(10-24)30-15)31-21(22-11)23-32(28,29)14-7-6-12-4-2-3-5-13(12)8-14/h2-8,15-16,18-20,24-27H,9-10H2,1H3,(H,22,23)/t15-,16+,18-,19-,20+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272384
PNG
((2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-(3-(4-(3-((2R...)
Show SMILES OC[C@H]1O[C@@H](SCC#Cc2ccc(cc2)C#CCS[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/C24H30O10S2/c25-11-15-17(27)19(29)21(31)23(33-15)35-9-1-3-13-5-7-14(8-6-13)4-2-10-36-24-22(32)20(30)18(28)16(12-26)34-24/h5-8,15-32H,9-12H2/t15-,16+,17+,18-,19+,20-,21-,22+,23+,24-
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272151
PNG
((2R,3R,4R,5R,6S,E)-2-(hydroxymethyl)-6-(prop-1-eny...)
Show SMILES C\C=C\[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O |r|
Show InChI InChI=1S/C9H16O5/c1-2-3-5-7(11)9(13)8(12)6(4-10)14-5/h2-3,5-13H,4H2,1H3/b3-2+/t5-,6+,7-,8-,9+/m0/s1
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n/an/a>5.00E+6n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50423644
PNG
(GALACTOSE)
Show SMILES OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
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n/an/a 5.00E+7n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Inhibition of recombinant galectin 1 in human O type red blood cells by hemagglutination assay

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50423644
PNG
(GALACTOSE)
Show SMILES OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6+/m1/s1
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n/an/a 5.00E+7n/an/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


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

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272148
PNG
(3-(((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6R)-5-acetami...)
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)c3cc4ccccc4cc3C(O)=O)[C@H]2O)[C@H](O)[C@H]1NC(C)=O |r|
Show InChI InChI=1S/C27H34N2O13/c1-11(32)28-19-21(34)23(17(10-31)41-26(19)39-2)42-27-22(35)18(20(33)16(9-30)40-27)29-24(36)14-7-12-5-3-4-6-13(12)8-15(14)25(37)38/h3-8,16-23,26-27,30-31,33-35H,9-10H2,1-2H3,(H,28,32)(H,29,36)(H,37,38)/t16-,17-,18+,19-,20+,21-,22-,23-,26-,27+/m1/s1
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n/an/an/a 300n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 3

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272150
PNG
(CHEMBL500137 | N-benzyl-1-((2R,3R,4S,5R,6S)-3,5-di...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1cc(nn1)C(=O)NCc1ccccc1 |r|
Show InChI InChI=1S/C17H22N4O5S/c1-27-17-15(24)13(14(23)12(9-22)26-17)21-8-11(19-20-21)16(25)18-7-10-5-3-2-4-6-10/h2-6,8,12-15,17,22-24H,7,9H2,1H3,(H,18,25)/t12-,13+,14+,15-,17+/m1/s1
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n/an/an/a 1.10E+5n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 3

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50272146
PNG
(CHEMBL502002 | methyl 2-{4-(beta-D-galactopyranosy...)
Show SMILES COC(=O)Cn1cc(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)nn1 |r|
Show InChI InChI=1S/C12H19N3O7/c1-21-9(17)4-15-3-6(13-14-15)2-7-10(18)12(20)11(19)8(5-16)22-7/h3,7-8,10-12,16,18-20H,2,4-5H2,1H3/t7-,8+,10-,11-,12+/m0/s1
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n/an/an/a 5.00E+6n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50272149
PNG
(CHEMBL502635 | N-[(2R,3S,4R,5S,6S)-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)c3ccc(cc3)[N+]([O-])=O)[C@@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc(cc2)[N+]([O-])=O)[C@H]1O |r|
Show InChI InChI=1S/C26H30N4O14S/c31-9-15-19(33)17(27-23(37)11-1-5-13(6-2-11)29(39)40)21(35)25(43-15)45-26-22(36)18(20(34)16(10-32)44-26)28-24(38)12-3-7-14(8-4-12)30(41)42/h1-8,15-22,25-26,31-36H,9-10H2,(H,27,37)(H,28,38)/t15-,16+,17+,18-,19+,20-,21-,22+,25+,26-
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n/an/an/a 33n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 3

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))		BDBM50241034
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)S(=O)(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H28O12S/c23-8-13-15(25)16(26)18(28)21(32-13)34-20-14(9-24)33-22(19(29)17(20)27)35(30,31)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-29H,8-9H2/t13-,14-,15+,16+,17-,18-,19-,20-,21+,22+/m1/s1
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n/an/an/a 4.00E+4n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 1

Bioorg Med Chem 16: 7811-23 (2008)


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


(Homo sapiens (Human))		BDBM50241034
PNG
((2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy...)
Show SMILES OC[C@H]1O[C@@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]2CO)S(=O)(=O)c2ccc3ccccc3c2)[C@H](O)[C@@H](O)[C@H]1O |r|
Show InChI InChI=1S/C22H28O12S/c23-8-13-15(25)16(26)18(28)21(32-13)34-20-14(9-24)33-22(19(29)17(20)27)35(30,31)12-6-5-10-3-1-2-4-11(10)7-12/h1-7,13-29H,8-9H2/t13-,14-,15+,16+,17-,18-,19-,20-,21+,22+/m1/s1
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n/an/an/a 3.13E+5n/an/an/an/an/a



Universit£ du Qu£bec£ Montr£al

Curated by ChEMBL


Assay Description
Binding affinity to galectin 3

Bioorg Med Chem 16: 7811-23 (2008)


Article DOI: 10.1016/j.bmc.2008.06.044
BindingDB Entry DOI: 10.7270/Q2HQ40TS
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%