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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 = 'BDBM50438293'   
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))		BDBM50438293
PNG
(CHEMBL2408570)
Show SMILES CC1CC(=O)c2cnc(Nc3ccc(C#N)c(F)c3)nc2C1
Show InChI InChI=1S/C16H13FN4O/c1-9-4-14-12(15(22)5-9)8-19-16(21-14)20-11-3-2-10(7-18)13(17)6-11/h2-3,6,8-9H,4-5H2,1H3,(H,19,20,21)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars
Article
PubMed
n/an/a 157n/an/an/an/an/an/a



Merz Pharmaceuticals GmbH

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in CHO cells assessed as inhibition of L-quisqualate-induced intracellular cAMP accumulation...

Bioorg Med Chem Lett 23: 4493-500 (2013)


Article DOI: 10.1016/j.bmcl.2013.06.049
BindingDB Entry DOI: 10.7270/Q2KD20B8
More data for this
Ligand-Target Pair