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2 similar compounds to monomer 192770

Compile data set for download or QSAR
Wt: 210.2
BDBM21541
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Wt: 234.2
BDBM50272382

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 21541,50272382   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3


(Homo sapiens (Human))
BDBM21541
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(methylsulfan...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
Show InChI InChI=1S/C7H14O5S/c1-13-7-6(11)5(10)4(9)3(2-8)12-7/h3-11H,2H2,1H3/t3-,4+,5+,6-,7+/m1/s1
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Article
PubMed
n/an/an/a 5.90E+6n/an/an/a7.224



Lund University



Assay Description
In fluorescence polarization measurements, a fluorescent probe was excited with plane-polarized light and the degree of polarization remaining in the...


J Med Chem 51: 2297-301 (2008)


Article DOI: 10.1021/jm701266y
BindingDB Entry DOI: 10.7270/Q26H4FQZ
More data for this
Ligand-Target Pair
Galectin-1


(Homo sapiens (Human))
BDBM50272382
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-ynylt...)
Show SMILES OC[C@H]1O[C@@H](SCC#C)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C9H14O5S/c1-2-3-15-9-8(13)7(12)6(11)5(4-10)14-9/h1,5-13H,3-4H2/t5-,6+,7+,8-,9+/m1/s1
PDB
MMDB

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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
3D
3D Structure (docked)
Galectin-3


(Homo sapiens (Human))
BDBM50272382
PNG
((2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-(prop-2-ynylt...)
Show SMILES OC[C@H]1O[C@@H](SCC#C)[C@H](O)[C@@H](O)[C@H]1O
Show InChI InChI=1S/C9H14O5S/c1-2-3-15-9-8(13)7(12)6(11)5(4-10)14-9/h1,5-13H,3-4H2/t5-,6+,7+,8-,9+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem

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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