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SMILES: CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1

InChI Key: InChIKey=INBCSHHGWOUOTC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50161030   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50161030
PNG
(3-Amino-6-chloro-5-isopropylamino-pyrazine-2-carbo...)
Show SMILES CC(C)Nc1nc(N)c(nc1Cl)C(=O)Nc1ccccn1
Show InChI InChI=1S/C13H15ClN6O/c1-7(2)17-12-10(14)19-9(11(15)20-12)13(21)18-8-5-3-4-6-16-8/h3-7H,1-2H3,(H3,15,17,20)(H,16,18,21)
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Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibitory concentration against human recombinant metabotropic glutamate receptor 5 (mGlu5) in Ltk cells determined using fluorescence detection met...

Bioorg Med Chem Lett 15: 1197-200 (2005)


Article DOI: 10.1016/j.bmcl.2004.11.078
BindingDB Entry DOI: 10.7270/Q28G8K6P
More data for this
Ligand-Target Pair