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BDBM50197041 CHEMBL3948303

SMILES: N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O

InChI Key: InChIKey=HIBMROJQICELNY-JAMMHHFISA-N

Data: 6 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 6 hits for monomerid = 50197041   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
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PC sid
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Article
PubMed
n/an/a 4.68E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
PDB

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KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 2.30E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 2


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4.70E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT2 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
PDB

Reactome pathway
KEGG

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PC sid
UniChem

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Article
PubMed
n/an/a 3.00E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 3


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 2.95E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT3 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50197041
PNG
(CHEMBL3948303)
Show SMILES N[C@@H](C(NS(=O)(=O)c1ccc(N)cc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C10H13N3O6S/c11-5-1-3-6(4-2-5)20(18,19)13-8(10(16)17)7(12)9(14)15/h1-4,7-8,13H,11-12H2,(H,14,15)(H,16,17)/t7-,8?/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.34E+3n/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Inhibition of [3H]-D-Asp uptake at human EAAT1 expressed in HEK293 cells measured after 3 mins by TopCount method


J Med Chem 59: 8771-8786 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01066
BindingDB Entry DOI: 10.7270/Q2Z03B4C
More data for this
Ligand-Target Pair