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BDBM50272207 (2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)-3-((2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)-tetrahydro-2H-pyran-2-yl)prop-1-enyl)cinnamyl)-6-(hydroxymethyl)-tetrahydro-2H-pyran-3,4,5-triol::CHEMBL501196

SMILES: OC[C@H]1O[C@@H](C\C=C\c2cccc(\C=C\C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@H]1O

InChI Key: InChIKey=CHNDDPNIVGMWFO-OUWFUIGOSA-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 = 50272207   
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))
BDBM50272207
PNG
((2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2cccc(\C=C\C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/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))
BDBM50272207
PNG
((2S,3R,4R,5R,6R)-2-((12S,14R,15R,16R,17R,E)-3-((E)...)
Show SMILES OC[C@H]1O[C@@H](C\C=C\c2cccc(\C=C\C[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)c2)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C24H34O10/c25-11-17-21(29)23(31)19(27)15(33-17)8-2-6-13-4-1-5-14(10-13)7-3-9-16-20(28)24(32)22(30)18(12-26)34-16/h1-7,10,15-32H,8-9,11-12H2/b6-2+,7-3+/t15-,16-,17+,18+,19-,20-,21-,22-,23+,24+/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