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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 2' and Ligand = 'BDBM50467052'   
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))
BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 13n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant human Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in gl...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50467052
PNG
(CHEMBL4279401)
Show SMILES CCc1cn2C[C@@H](COc3ccc(cc3)-c3cccc(C)c3C)Oc2nc1=O |r|
Show InChI InChI=1S/C23H24N2O3/c1-4-17-12-25-13-20(28-23(25)24-22(17)26)14-27-19-10-8-18(9-11-19)21-7-5-6-15(2)16(21)3/h5-12,20H,4,13-14H2,1-3H3/t20-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 20n/an/an/an/a



Sanofi US

Curated by ChEMBL


Assay Description
Positive allosteric modulation of recombinant rat Gi-coupled mGluR2 expressed in HEK293 Flp-in-T-REx cells with Galpha16 assessed as increase in glut...


Bioorg Med Chem Lett 28: 3194-3196 (2018)


Article DOI: 10.1016/j.bmcl.2018.08.022
BindingDB Entry DOI: 10.7270/Q2Z60RRB
More data for this
Ligand-Target Pair