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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 Ligand = 'BDBM50463987'   
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))		BDBM50463987
PNG
(CHEMBL4241180)
Show SMILES COc1ccccc1N1CCN(Cc2ccc(OCc3cn(CCCCCCCCN(C)CCCCCNC(=O)COc4cccc(c4)C#Cc4csc(C)n4)nn3)c(OC)c2)CC1
Show InChI InChI=1S/C50H66N8O5S/c1-40-52-43(39-64-40)23-21-41-17-16-18-45(33-41)62-38-50(59)51-25-12-9-14-27-55(2)26-13-7-5-6-8-15-28-58-36-44(53-54-58)37-63-48-24-22-42(34-49(48)61-4)35-56-29-31-57(32-30-56)46-19-10-11-20-47(46)60-3/h10-11,16-20,22,24,33-34,36,39H,5-9,12-15,25-32,35,37-38H2,1-4H3,(H,51,59)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 240n/an/an/an/an/an/a



Ghent University

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 (unknown origin) expressed in HEK293T cells assessed as inhibition of L-Glu-induced MAPK phosphorylation preincubated f...

J Med Chem 61: 8212-8225 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00671
BindingDB Entry DOI: 10.7270/Q2X92DZC
More data for this
Ligand-Target Pair