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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 = 'BDBM50292988'   
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))
BDBM50292988
PNG
(2-amino-4-(benzo[d][1,3]dioxol-5-yl)-7-methyl-5-ox...)
Show SMILES CC1CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc2OCOc2c1 |c:5|
Show InChI InChI=1S/C18H16N2O4/c1-9-4-12(21)17-15(5-9)24-18(20)11(7-19)16(17)10-2-3-13-14(6-10)23-8-22-13/h2-3,6,9,11,16,20H,4-5,8H2,1H3
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.00E+5n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [3H]D-Asp from human EAAT1 receptor expressed in HEK293 cells


J Med Chem 52: 912-5 (2009)


Article DOI: 10.1021/jm8013458
BindingDB Entry DOI: 10.7270/Q2PV6KCP
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50292988
PNG
(2-amino-4-(benzo[d][1,3]dioxol-5-yl)-7-methyl-5-ox...)
Show SMILES CC1CC(=O)C2=C(C1)OC(=N)C(C#N)C2c1ccc2OCOc2c1 |c:5|
Show InChI InChI=1S/C18H16N2O4/c1-9-4-12(21)17-15(5-9)24-18(20)11(7-19)16(17)10-2-3-13-14(6-10)23-8-22-13/h2-3,6,9,11,16,20H,4-5,8H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>3.16E+5n/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