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BDBM50272378 5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-methylthiazole::CHEMBL499869

SMILES: COC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1

InChI Key: InChIKey=DFENMHFFGQYFSG-BNQWIEQOSA-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 = 50272378   
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))
BDBM50272378
PNG
(5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-me...)
Show SMILES COC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1S/C13H20N2O7S/c1-5-8(23-12(14-5)15-13(20)21-2)3-6-9(17)11(19)10(18)7(4-16)22-6/h6-7,9-11,16-19H,3-4H2,1-2H3,(H,14,15,20)/t6-,7+,9-,10-,11+/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))
BDBM50272378
PNG
(5-(beta-D-Galactopyranosyl)-2-methylcarbamate-4-me...)
Show SMILES COC(=O)Nc1nc(C)c(C[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)s1
Show InChI InChI=1S/C13H20N2O7S/c1-5-8(23-12(14-5)15-13(20)21-2)3-6-9(17)11(19)10(18)7(4-16)22-6/h6-7,9-11,16-19H,3-4H2,1-2H3,(H,14,15,20)/t6-,7+,9-,10-,11+/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>5.00E+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