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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Galectin-9' and Ligand = 'BDBM50273581'   
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-9


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O |r|
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 730n/an/an/an/an/a



Institute of Science Education and Research-Kolkata (IISER) Kolkata

Curated by ChEMBL


Assay Description
Competitive binding affinity to recombinant human galectin-9 N-terminal after 5 mins in presence of fluorescent probe 2-(fluorescein-5-yl-carbonylami...


J Med Chem 59: 8141-7 (2016)


Article DOI: 10.1021/acs.jmedchem.6b00957
BindingDB Entry DOI: 10.7270/Q2X63RF4
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50273581
PNG
(CHEMBL444662 | N-[(2S,3R,4S,5R,6R)-2-{[(2S,3R,4S,5...)
Show SMILES OC[C@H]1O[C@@H](S[C@@H]2O[C@H](CO)[C@H](O)[C@H](NC(=O)c3ccc4ccccc4c3)[C@H]2O)[C@H](O)[C@@H](NC(=O)c2ccc3ccccc3c2)[C@H]1O |r|
Show InChI InChI=1S/C34H36N2O10S/c37-15-23-27(39)25(35-31(43)21-11-9-17-5-1-3-7-19(17)13-21)29(41)33(45-23)47-34-30(42)26(28(40)24(16-38)46-34)36-32(44)22-12-10-18-6-2-4-8-20(18)14-22/h1-14,23-30,33-34,37-42H,15-16H2,(H,35,43)(H,36,44)/t23-,24-,25+,26+,27+,28+,29-,30-,33+,34+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 730n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity to galectin 9N terminal domain at 0 degC by fluorescence polarization assay


J Med Chem 51: 8109-14 (2008)


Article DOI: 10.1021/jm801077j
BindingDB Entry DOI: 10.7270/Q29W0GDJ
More data for this
Ligand-Target Pair