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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor' and Ligand = 'BDBM50252048'   
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


(RAT)
BDBM50252048
PNG
((2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedi...)
Show SMILES COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu1 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50252048
PNG
((2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedi...)
Show SMILES COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Activity at rat mGluR5 expressed in HEK293 cells assessed as calcium mobilization by FLIPR


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50252048
PNG
((2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedi...)
Show SMILES COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+5n/an/an/an/a



Universite Blaise Pascal

Curated by ChEMBL


Assay Description
Activity at rat mGluR1 expressed in HEK293 cells assessed as calcium mobilization by FLIPR


J Med Chem 51: 4093-103 (2008)


Article DOI: 10.1021/jm800092x
BindingDB Entry DOI: 10.7270/Q20V8DP6
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50252048
PNG
((2S,4R)-2-amino-4-(3-methoxy-3-oxopropyl)pentanedi...)
Show SMILES COC(=O)CC[C@H](C[C@H](N)C(O)=O)C(O)=O
Show InChI InChI=1S/C9H15NO6/c1-16-7(11)3-2-5(8(12)13)4-6(10)9(14)15/h5-6H,2-4,10H2,1H3,(H,12,13)(H,14,15)/t5-,6+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
PDB
UniChem

Similars

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



University of Copenhagen

Curated by ChEMBL


Assay Description
Agonist activity at rat mGlu5 receptor expressed in HEK293 cells by intracellular Ca2+ mobilization assay


J Med Chem 59: 914-24 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01333
BindingDB Entry DOI: 10.7270/Q2000408
More data for this
Ligand-Target Pair