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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 3' and Ligand = 'BDBM50122272'   
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


(Rattus norvegicus (Rat))
BDBM50122272
PNG
(CHEMBL3617620)
Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 339n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50122272
PNG
(CHEMBL3617620)
Show SMILES COc1ccccc1N1C[C@@H](C)n2nc(COc3ccc(F)cn3)cc2C1=O |r|
Show InChI InChI=1S/C20H19FN4O3/c1-13-11-24(16-5-3-4-6-18(16)27-2)20(26)17-9-15(23-25(13)17)12-28-19-8-7-14(21)10-22-19/h3-10,13H,11-12H2,1-2H3/t13-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 339n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 receptor assessed as calcium mobilization by cell based fluorescence assay


J Med Chem 58: 7485-500 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01005
BindingDB Entry DOI: 10.7270/Q2H9970P
More data for this
Ligand-Target Pair