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BDBM50272419 (2S,3R,4S,5R,6R)-2-((1-((2S,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-yl)-1H-1,2,3-triazol-4-yl)methylthio)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL505985

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

InChI Key: InChIKey=YEGZGFSXXXODOV-XMCTWEFQSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 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-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
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))
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
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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 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