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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Cystine/glutamate transporter' and Ligand = 'BDBM50378666'   
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
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,18,19)
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6.00E+4n/an/an/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Competitive inhibition of [3H]L-glutamate uptake at amino acid transport system xc- in human SNB19 cells by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair
Cystine/glutamate transporter


(Homo sapiens (Human))
BDBM50378666
PNG
(CHEMBL601837)
Show SMILES CC(N=Nc1ccc(cc1)[N+]([O-])=O)c1c(C)onc1C(O)=O |w:2.1|
Show InChI InChI=1S/C13H12N4O5/c1-7(11-8(2)22-16-12(11)13(18)19)14-15-9-3-5-10(6-4-9)17(20)21/h3-7H,1-2H3,(H,18,19)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.27E+5n/an/an/an/an/an/a



The University of Montana

Curated by ChEMBL


Assay Description
Inhibition of amino acid transport system xc- in human SNB19 cells assessed as [3H]L-glutamate uptake by liquid scintillation counting


Bioorg Med Chem 18: 202-13 (2010)


Article DOI: 10.1016/j.bmc.2009.11.001
BindingDB Entry DOI: 10.7270/Q23J3DX8
More data for this
Ligand-Target Pair