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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor' and Ligand = 'BDBM50105829'   
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


(Rattus norvegicus (Rat))
BDBM50105829
PNG
(CHEMBL3597603)
Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+
PDB
MMDB

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UniProtKB/SwissProt

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem
PubMed
111n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 receptor in Sprague-Dawley rat forebrain membrane after 60 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50105829
PNG
(CHEMBL3597603)
Show SMILES Cc1cnc(N2CCC\C(C2)=C/C#Cc2cccc(C)n2)c(c1)[N+]([O-])=O
Show InChI InChI=1S/C20H20N4O2/c1-15-12-19(24(25)26)20(21-13-15)23-11-5-8-17(14-23)7-4-10-18-9-3-6-16(2)22-18/h3,6-7,9,12-13H,5,8,11,14H2,1-2H3/b17-7+
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
>1.00E+3n/an/an/an/an/an/an/an/a



University of Modena and Reggio Emilia

Curated by ChEMBL


Assay Description
Displacement of [3H]R214127 from rat cloned mGluR1 receptor expressed in CHO-T-Rex cells after 30 mins by liquid scintillation spectrometry


Bioorg Med Chem 23: 3040-58 (2015)


BindingDB Entry DOI: 10.7270/Q2PK0HX0
More data for this
Ligand-Target Pair