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SMILES: Fc1ccc(CN2CC(CC2=O)c2nc(no2)-c2cccc(Cl)c2)cc1

InChI Key: InChIKey=ZWBNOSOSWCVZAA-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50390067   
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))		BDBM50390067
PNG
(CHEMBL2069387)
Show SMILES Fc1ccc(CN2CC(CC2=O)c2nc(no2)-c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C19H15ClFN3O2/c20-15-3-1-2-13(8-15)18-22-19(26-23-18)14-9-17(25)24(11-14)10-12-4-6-16(21)7-5-12/h1-8,14H,9-11H2
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Article
PubMed
n/an/a 3.60E+3n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGluR5 expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium flux by FLIPR method

Bioorg Med Chem Lett 22: 5658-62 (2012)


Article DOI: 10.1016/j.bmcl.2012.06.094
BindingDB Entry DOI: 10.7270/Q2348MF7
More data for this
Ligand-Target Pair