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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 Ligand = 'BDBM50328509'   
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))
BDBM50328509
PNG
(2-Amino-4-methyl-7-(naphthalen-1-yl)-5-oxo-5,6,7,8...)
Show SMILES CC1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1cccc2ccccc12
Show InChI InChI=1/C21H18N2O2/c1-12-17(11-22)21(23)25-19-10-14(9-18(24)20(12)19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17,23H,9-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 420n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells assessed as inhibition of 3[H]-D-Aspartate uptake after 6 mins by scintillation counting method


J Med Chem 55: 5403-12 (2012)


Article DOI: 10.1021/jm300345z
BindingDB Entry DOI: 10.7270/Q2Q81F5W
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50328509
PNG
(2-Amino-4-methyl-7-(naphthalen-1-yl)-5-oxo-5,6,7,8...)
Show SMILES CC1C(C#N)C(=N)OC2=C1C(=O)CC(C2)c1cccc2ccccc12
Show InChI InChI=1/C21H18N2O2/c1-12-17(11-22)21(23)25-19-10-14(9-18(24)20(12)19)16-8-4-6-13-5-2-3-7-15(13)16/h2-8,12,14,17,23H,9-10H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 430n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells by [3H]D-Asp uptake assay


J Med Chem 53: 7180-91 (2010)


Article DOI: 10.1021/jm1009154
BindingDB Entry DOI: 10.7270/Q2VM4CGX
More data for this
Ligand-Target Pair