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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 = 50251894   
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))
BDBM50251894
PNG
((2S,4R)-4-(2,2-Diphenylethylamino-3-oxopropyl)glut...)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1/C22H26N2O5/c23-19(22(28)29)13-17(21(26)27)11-12-20(25)24-14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14,23H2,(H,24,25)(H,26,27)(H,28,29)/t17-,19+/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))
BDBM50251894
PNG
((2S,4R)-4-(2,2-Diphenylethylamino-3-oxopropyl)glut...)
Show SMILES N[C@@H](C[C@@H](CCC(=O)NCC(c1ccccc1)c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1/C22H26N2O5/c23-19(22(28)29)13-17(21(26)27)11-12-20(25)24-14-18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-19H,11-14,23H2,(H,24,25)(H,26,27)(H,28,29)/t17-,19+/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