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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 = 'BDBM50401542'   
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))
BDBM50401542
PNG
(CHEMBL2207075)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(cc3)C3C(C#N)C(=N)OC4=C3C(=O)CC(C4)c3ccccc3)c(=O)oc2c1 |c:26|
Show InChI InChI=1S/C36H33N3O4/c1-4-39(5-2)26-15-16-27-21(3)32(36(41)43-30(27)19-26)23-11-13-24(14-12-23)33-28(20-37)35(38)42-31-18-25(17-29(40)34(31)33)22-9-7-6-8-10-22/h6-16,19,25,28,33,38H,4-5,17-18H2,1-3H3
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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
Inhibition of [3H]-D-aspartate uptake at human EAAT1 expressed in HEK293 cells after 6 mins by scintillation counting


Bioorg Med Chem 20: 6831-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.049
BindingDB Entry DOI: 10.7270/Q25B03PT
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50401542
PNG
(CHEMBL2207075)
Show SMILES CCN(CC)c1ccc2c(C)c(-c3ccc(cc3)C3C(C#N)C(=N)OC4=C3C(=O)CC(C4)c3ccccc3)c(=O)oc2c1 |c:26|
Show InChI InChI=1S/C36H33N3O4/c1-4-39(5-2)26-15-16-27-21(3)32(36(41)43-30(27)19-26)23-11-13-24(14-12-23)33-28(20-37)35(38)42-31-18-25(17-29(40)34(31)33)22-9-7-6-8-10-22/h6-16,19,25,28,33,38H,4-5,17-18H2,1-3H3
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 [3H]-D-aspartate uptake at human EAAT1 expressed in HEK293 cells after 6 mins by scintillation counting


Bioorg Med Chem 20: 6831-9 (2012)


Article DOI: 10.1016/j.bmc.2012.09.049
BindingDB Entry DOI: 10.7270/Q25B03PT
More data for this
Ligand-Target Pair