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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 = 'BDBM50122280'   
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))
BDBM50122280
PNG
(CHEMBL3617612)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1F |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-5-3-2-4-15(16)21)19(26)17-8-14(23-25(12)17)11-27-18-7-6-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/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))
BDBM50122280
PNG
(CHEMBL3617612)
Show SMILES C[C@@H]1CN(C(=O)c2cc(COc3ccc(F)cn3)nn12)c1ccccc1F |r|
Show InChI InChI=1S/C19H16F2N4O2/c1-12-10-24(16-5-3-2-4-15(16)21)19(26)17-8-14(23-25(12)17)11-27-18-7-6-13(20)9-22-18/h2-9,12H,10-11H2,1H3/t12-/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 162n/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