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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Excitatory amino acid transporter 3' and Ligand = 'BDBM50197054'   
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
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197054
PNG
(CHEMBL3937517)
Show SMILES N[C@@H]([C@H](NS(=O)(=O)c1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12N2O6S/c11-7(9(13)14)8(10(15)16)12-19(17,18)6-4-2-1-3-5-6/h1-5,7-8,12H,11H2,(H,13,14)(H,15,16)/t7-,8-/m0/s1
PDB

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KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197054
PNG
(CHEMBL3937517)
Show SMILES N[C@@H]([C@H](NS(=O)(=O)c1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H12N2O6S/c11-7(9(13)14)8(10(15)16)12-19(17,18)6-4-2-1-3-5-6/h1-5,7-8,12H,11H2,(H,13,14)(H,15,16)/t7-,8-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair