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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' and Ligand = 'BDBM50529992'   
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 1


(RAT)
BDBM50529992
PNG
(CHEMBL4548820)
Show SMILES [#6]-[#6](-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O/c1-19-9-7-13-23(25-19)14-8-10-21-15-17-27(18-16-21)24(28)26(3)20(2)22-11-5-4-6-12-22/h4-7,9-13,20H,15-18H2,1-3H3
PDB

UniProtKB/SwissProt

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



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50529992
PNG
(CHEMBL4548820)
Show SMILES [#6]-[#6](-[#7](-[#6])-[#6](=O)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/C#Cc1cccc(-[#6])n1)-c1ccccc1
Show InChI InChI=1S/C24H27N3O/c1-19-9-7-13-23(25-19)14-8-10-21-15-17-27(18-16-21)24(28)26(3)20(2)22-11-5-4-6-12-22/h4-7,9-13,20H,15-18H2,1-3H3
PDB

UniProtKB/SwissProt

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



Recordati S.p.A.

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGlu1 receptor expressed in CHO-TREx cell membranes after 30 mins by liquid scintillation spectrometric analysis


J Med Chem 62: 1246-1273 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01226
BindingDB Entry DOI: 10.7270/Q24171JF
More data for this
Ligand-Target Pair