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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'Excitatory amino acid transporter 1' and Ligand = 'BDBM50093753'   
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))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
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Article
PubMed
n/an/a 1.60E+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 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
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Article
PubMed
n/an/a 1.62E+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 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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Article
PubMed
n/an/a 2.09E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method


J Med Chem 61: 7741-7753 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00700
BindingDB Entry DOI: 10.7270/Q2G44ST4
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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Article
PubMed
n/an/a 2.10E+3n/an/an/an/an/an/a



University of Groningen

Curated by ChEMBL


Assay Description
Inhibition of human EAAT1 expressed in HEK293 cells assessed as reduction in [3H]-D-Asp uptake incubated for 4 mins by scintillation counting method


J Med Chem 61: 7741-7753 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00700
BindingDB Entry DOI: 10.7270/Q2G44ST4
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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PubMed
n/an/a 2.30E+4n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 1


Bioorg Med Chem Lett 10: 2407-10 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2CR5TVN
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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CHEMBL
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PubMed
n/an/a 6.37E+5n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 1


Bioorg Med Chem Lett 10: 2407-10 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2CR5TVN
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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CHEMBL
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PubMed
n/an/a 6.37E+5n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 1


Bioorg Med Chem Lett 10: 2407-10 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2CR5TVN
More data for this
Ligand-Target Pair
Excitatory amino acid transporter 1


(Homo sapiens (Human))
BDBM50093753
PNG
((2S,3S)-2-Amino-3-benzyloxy-succinic acid | (2S,3S...)
Show SMILES N[C@@H]([C@H](OCc1ccccc1)C(O)=O)C(O)=O |r|
Show InChI InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1
PDB

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PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Institute for Bioorganic Research

Curated by ChEMBL


Assay Description
Concentration required for blocking [14C]glutamate uptake in COS-1 cells expressing human Excitatory amino acid transporter 1


Bioorg Med Chem Lett 10: 2407-10 (2001)

Checked by Author
BindingDB Entry DOI: 10.7270/Q2CR5TVN
More data for this
Ligand-Target Pair