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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 = 'BDBM50332973'   
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))
BDBM50332973
PNG
(7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(tr...)
Show SMILES Cc1cc(on1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
Show InChI InChI=1S/C21H16F3N3O2/c1-11-6-17-18(9-15(11)21(22,23)24)26-20(28)10-16(25-17)13-4-3-5-14(8-13)19-7-12(2)27-29-19/h3-9H,10H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 5n/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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332973
PNG
(7-methyl-4-(3-(3-methylisoxazol-5-yl)phenyl)-8-(tr...)
Show SMILES Cc1cc(on1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:14|
Show InChI InChI=1S/C21H16F3N3O2/c1-11-6-17-18(9-15(11)21(22,23)24)26-20(28)10-16(25-17)13-4-3-5-14(8-13)19-7-12(2)27-29-19/h3-9H,10H2,1-2H3,(H,26,28)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/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