BindingDB logo
myBDB logout

BDBM50272379 (2S,3R,4S,5R,6R)-2-((2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-((1-((2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)-1H-1,2,3-triazol-4-yl)methylthio)-tetrahydro-2H-pyran-3-yloxy)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL502536

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

InChI Key: InChIKey=OIHKDTMRCVSHAH-PZMGANSVSA-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 = 50272379   
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))
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
MMDB

NCI 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 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
MMDB

Reactome 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 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