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BDBM50272380 (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-6-(6-((2R,3S,4S,5R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-((2R,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yloxy)-tetrahydro-2H-pyran-2-ylthio)hexa-2,4-diynylthio)-4,5-dihydroxy-2-(hydroxymethyl)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL449603

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

InChI Key: InChIKey=SPEGHNKFRDVZSX-LVADKVNVSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50272380   
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-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
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-
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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))
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
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-
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
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