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Compile Data Set for Download or QSAR

Marvin 2D Structure

The following exact ligands are found in BindingDB

Wt: 376.1
BDBM50204263

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

Found 2 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 3


(Homo sapiens (Human))
BDBM50204263
PNG
(CHEMBL3979475)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cc(Cl)ccc1Cl)[C@@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-1-2-7(17)5(3-6)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 185n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu3 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50204263
PNG
(CHEMBL3979475)
Show SMILES [H][C@]12[C@H](C(O)=O)[C@@]1([H])[C@@](N)([C@H](OCc1cc(Cl)ccc1Cl)[C@@H]2O)C(O)=O |r|
Show InChI InChI=1S/C15H15Cl2NO6/c16-6-1-2-7(17)5(3-6)4-24-12-11(19)8-9(13(20)21)10(8)15(12,18)14(22)23/h1-3,8-12,19H,4,18H2,(H,20,21)(H,22,23)/t8-,9-,10-,11+,12+,15+/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 387n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant human mGlu2 receptor expressed in hamster AV12 cells co-expressing human EAAT1 assessed as reduction of DCG-4-inhi...


Bioorg Med Chem Lett 26: 5663-5668 (2016)


Article DOI: 10.1016/j.bmcl.2016.10.067
BindingDB Entry DOI: 10.7270/Q2JS9SDT
More data for this
Ligand-Target Pair