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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Galectin-9' and Ligand = 'BDBM50509532'   
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))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 4.60E+3n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human C-terminal Galectin 9 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair
Galectin-9


(Homo sapiens (Human))
BDBM50509532
PNG
(CHEMBL4465115)
Show SMILES OC[C@H]1O[C@H](Sc2ccc(Cl)c(Cl)c2)[C@H](O)[C@@H](Nc2cccc(Cl)c2)[C@H]1O |r|
Show InChI InChI=1S/C18H18Cl3NO4S/c19-9-2-1-3-10(6-9)22-15-16(24)14(8-23)26-18(17(15)25)27-11-4-5-12(20)13(21)7-11/h1-7,14-18,22-25H,8H2/t14-,15+,16+,17-,18-/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 1.40E+4n/an/an/an/an/a



Lund University

Curated by ChEMBL


Assay Description
Binding affinity at recombinant human N-terminal Galectin 9 expressed in Escherichia coli BL21 incubated for 5 mins by fluorescence anisotropy assay


ACS Med Chem Lett 11: 34-39 (2020)


Article DOI: 10.1021/acsmedchemlett.9b00396
BindingDB Entry DOI: 10.7270/Q2HX1GZ9
More data for this
Ligand-Target Pair