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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Monomerid = 50305047   
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 5


(Homo sapiens (Human))
BDBM50305047
PNG
(CHEMBL593848 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50305047
PNG
(CHEMBL593848 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.90E+5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration


Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair