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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 247.2
BDBM50208765

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

Found 3 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 2


(Homo sapiens (Human))
BDBM50208765
PNG
((RS)-2-amino-(5-benzyl-1-hydroxy-4-pyrazolyl)aceti...)
Show SMILES NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
Show InChI InChI=1S/C12H13N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h1-5,7,11,18H,6,13H2,(H,16,17)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.20E+5n/an/an/an/an/an/an/an/a



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as effect on intracellular cAMP level


Bioorg Med Chem 15: 3524-38 (2007)


Article DOI: 10.1016/j.bmc.2007.02.047
BindingDB Entry DOI: 10.7270/Q2XD11CV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50208765
PNG
((RS)-2-amino-(5-benzyl-1-hydroxy-4-pyrazolyl)aceti...)
Show SMILES NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
Show InChI InChI=1S/C12H13N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h1-5,7,11,18H,6,13H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at rat mGluR1a receptor expressed in CHO cells assessed as effect on intracellular calcium level


Bioorg Med Chem 15: 3524-38 (2007)


Article DOI: 10.1016/j.bmc.2007.02.047
BindingDB Entry DOI: 10.7270/Q2XD11CV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50208765
PNG
((RS)-2-amino-(5-benzyl-1-hydroxy-4-pyrazolyl)aceti...)
Show SMILES NC(C(O)=O)c1cnn(O)c1Cc1ccccc1 |w:1.0|
Show InChI InChI=1S/C12H13N3O3/c13-11(12(16)17)9-7-14-15(18)10(9)6-8-4-2-1-3-5-8/h1-5,7,11,18H,6,13H2,(H,16,17)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



The Danish University of Pharmaceutical Sciences

Curated by ChEMBL


Assay Description
Agonist activity at rat mGluR4 receptor expressed in CHO cells assessed as effect on intracellular cAMP level


Bioorg Med Chem 15: 3524-38 (2007)


Article DOI: 10.1016/j.bmc.2007.02.047
BindingDB Entry DOI: 10.7270/Q2XD11CV
More data for this
Ligand-Target Pair