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BDBM50272420 (2R,3R,4S,5R,6S)-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-3,4,5-triol::CHEMBL497324

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

InChI Key: InChIKey=LFCUJSJBMGCTCP-IKQIEQASSA-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 = 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-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
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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-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
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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