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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 = 'BDBM50503464'   
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


(Rattus norvegicus)
BDBM50503464
PNG
(CHEMBL4550517)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(C)c3)nn12)C(N)=O
Show InChI InChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil...


J Med Chem 62: 378-384 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Rattus norvegicus)
BDBM50503464
PNG
(CHEMBL4550517)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(COc3ccnc(C)c3)nn12)C(N)=O
Show InChI InChI=1S/C21H18FN5O3/c1-12-7-15(5-6-24-12)30-11-13-8-20-25-18(21(23)28)10-19(27(20)26-13)16-4-3-14(29-2)9-17(16)22/h3-10H,11H2,1-2H3,(H2,23,28)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 288n/an/an/an/an/an/a



Vanderbilt University School of Medicine

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu2R expressed in HEK293 cells co-expressing Galpha15 assessed as decrease in glutamate-induced calcium mobil...


J Med Chem 62: 378-384 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01266
BindingDB Entry DOI: 10.7270/Q2125WWX
More data for this
Ligand-Target Pair