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3 similar compounds to monomer 50272418

Compile data set for download or QSAR
Wt: 601.5
BDBM50272379
Wt: 601.5
BDBM50272419
Wt: 439.4
BDBM50272420

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50272379,50272419,50272420   
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))
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
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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Article
PubMed
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))
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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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-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
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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))
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
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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Article
PubMed
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))
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
PDB
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KEGG

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PC sid
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Article
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-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
PDB
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Article
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 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