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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 235.2
BDBM50407819

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 7 hits in this display   
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
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
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Article
PubMed
4.40E+4n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity towards metabotropic glutamate receptor mGluR1


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
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>2.80E+5n/an/an/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Binding affinity of the compound towards metabotropic glutamate receptor mGluR4a


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
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n/an/a 1.40E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Concentration required for the half-maximal inhibition of PI hydrolysis in BHK cells expressing mGluR1a


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
PDB

UniProtKB/SwissProt

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



Università di Perugia

Curated by ChEMBL


Assay Description
Concentration required for the half-maximal inhibition of cAMP hydrolysis in BHK cells expressing mGluR2


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
PDB

UniProtKB/SwissProt

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



Università di Perugia

Curated by ChEMBL


Assay Description
Concentration required for the half-maximal inhibition of cAMP hydrolysis in BHK cells expressing mGluR4


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
PDB

UniProtKB/SwissProt

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



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration against forskolin-stimulated cAMP formation in BHK cells expressing mGluR4 receptor


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50407819
PNG
(CHEMBL2115152)
Show SMILES N[C@H]([C@@H]1[C@@H]([C@@H]1c1ccccc1)C(O)=O)C(O)=O
Show InChI InChI=1S/C12H13NO4/c13-10(12(16)17)8-7(9(8)11(14)15)6-4-2-1-3-5-6/h1-5,7-10H,13H2,(H,14,15)(H,16,17)/t7-,8+,9-,10-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Università di Perugia

Curated by ChEMBL


Assay Description
Effective concentration forskolin-stimulated cAMP formation in BHK cells expressing mGluR2 receptor


J Med Chem 39: 2259-69 (1996)


Article DOI: 10.1021/jm960059+
BindingDB Entry DOI: 10.7270/Q2Z60N5G
More data for this
Ligand-Target Pair