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3 similar compounds to monomer 50272420

Compile data set for download or QSAR
Wt: 601.5
BDBM50272379
Wt: 763.7
BDBM50272418
Wt: 601.5
BDBM50272419

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50272379,50272418,50272419   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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
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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PubMed
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))
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
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))
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
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-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
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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PubMed
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))
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
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
PDB
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NCI pathway
KEGG

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PC cid
PC sid
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Article
PubMed
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))
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
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