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BDBM50272206 (E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-but-2-enoate::CHEMBL507820

SMILES: COC(=O)\C=C(/C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1

InChI Key: InChIKey=KASPJXLMVVPIKJ-ORLGIKMASA-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 = 50272206   
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))
BDBM50272206
PNG
((E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-bu...)
Show SMILES COC(=O)\C=C(/C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C17H22O7/c1-23-14(19)8-11(10-5-3-2-4-6-10)7-12-15(20)17(22)16(21)13(9-18)24-12/h2-6,8,12-13,15-18,20-22H,7,9H2,1H3/b11-8+/t12-,13+,15-,16-,17+/m0/s1
PDB
MMDB

NCI pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.13E+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))
BDBM50272206
PNG
((E)-Methyl 2-phenyl-4-(beta-D-galactopyranosyl)-bu...)
Show SMILES COC(=O)\C=C(/C[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)c1ccccc1
Show InChI InChI=1S/C17H22O7/c1-23-14(19)8-11(10-5-3-2-4-6-10)7-12-15(20)17(22)16(21)13(9-18)24-12/h2-6,8,12-13,15-18,20-22H,7,9H2,1H3/b11-8+/t12-,13+,15-,16-,17+/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
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