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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Monomerid = 50177093   
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))
BDBM50177093
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-2-methyl-3H-pyr...)
Show SMILES CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H20N4OS/c1-5-13-6-8-14(9-7-13)24-12(2)22-17-16-15(23(3)4)10-11-21-19(16)26-18(17)20(24)25/h6-11H,5H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 344n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair