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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Galectin-3' and Ligand = 'BDBM50326582'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Galectin-3


(Homo sapiens (Human))
BDBM50326582
PNG
(CHEMBL1254845 | Methyl-3-deoxy-3-(5-p-tolylsulfony...)
Show SMILES CS[C@@H]1O[C@H](CO)[C@H](O)[C@@H]([C@H]1O)n1nncc1S(=O)(=O)c1ccc(C)cc1 |r|
Show InChI InChI=1S/C16H21N3O6S2/c1-9-3-5-10(6-4-9)27(23,24)12-7-17-18-19(12)13-14(21)11(8-20)25-16(26-2)15(13)22/h3-7,11,13-16,20-22H,8H2,1-2H3/t11-,13+,14+,15-,16+/m1/s1
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Similars

Article
PubMed
n/an/an/a>5.00E+6n/an/an/an/an/a



The Hashemite University

Curated by ChEMBL


Assay Description
Binding affinity to human galectin 3 at 20 degC by competitive fluorescence polarization assay


Bioorg Med Chem 18: 5367-78 (2010)


Article DOI: 10.1016/j.bmc.2010.05.040
BindingDB Entry DOI: 10.7270/Q2FQ9XMJ
More data for this
Ligand-Target Pair