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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Excitatory amino acid transporter 1' and Monomerid = 50251893   
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 1


(Homo sapiens (Human))
BDBM50251893
PNG
((2S,4R)-2-amino-4-(3-(benzylamino)-3-oxopropyl)pen...)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1/C15H20N2O5/c16-12(15(21)22)8-11(14(19)20)6-7-13(18)17-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,18)(H,19,20)(H,21,22)/t11-,12+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
1.00E+6n/an/an/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of [3H]D-Asp uptake at EAAT1 in HEK293 cells


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50251893
PNG
((2S,4R)-2-amino-4-(3-(benzylamino)-3-oxopropyl)pen...)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCc1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1/C15H20N2O5/c16-12(15(21)22)8-11(14(19)20)6-7-13(18)17-9-10-4-2-1-3-5-10/h1-5,11-12H,6-9,16H2,(H,17,18)(H,19,20)(H,21,22)/t11-,12+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.00E+6n/an/an/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Inhibition of glutamate-induced depolarization in human EAAT1 expressed in HEK293 cells by FMP assay


J Med Chem 51: 4085-92 (2008)

Checked by Author
Article DOI: 10.1021/jm800091e
BindingDB Entry DOI: 10.7270/Q24M95FC
More data for this
Ligand-Target Pair