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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 = 'BDBM50332981'   
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))
BDBM50332981
PNG
(4-(3-(2-cyclopropylpyridin-4-yl)phenyl)-7-methyl-8...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CC1 |c:4|
Show InChI InChI=1S/C25H20F3N3O/c1-14-9-22-23(12-19(14)25(26,27)28)31-24(32)13-21(30-22)18-4-2-3-16(10-18)17-7-8-29-20(11-17)15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332981
PNG
(4-(3-(2-cyclopropylpyridin-4-yl)phenyl)-7-methyl-8...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)C1CC1 |c:4|
Show InChI InChI=1S/C25H20F3N3O/c1-14-9-22-23(12-19(14)25(26,27)28)31-24(32)13-21(30-22)18-4-2-3-16(10-18)17-7-8-29-20(11-17)15-5-6-15/h2-4,7-12,15H,5-6,13H2,1H3,(H,31,32)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 10n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair