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SMILES: CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1

InChI Key: InChIKey=NCNPWLYEFJWJGR-QGZVFWFLSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50107424   
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))		BDBM50107424
PNG
(CHEMBL3600421)
Show SMILES CCC[C@@H](NC(=O)c1nc(C)cs1)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C20H22ClN5OS/c1-4-5-17(26-19(27)20-24-13(3)11-28-20)14-8-16(21)18(23-9-14)25-15-7-6-12(2)22-10-15/h6-11,17H,4-5H2,1-3H3,(H,23,25)(H,26,27)/t17-/m1/s1
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Similars
PubMed
n/an/a 10n/an/an/an/an/an/a



Toray Industries, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulator activity against human mGluR5 expressed in HEK293 cells assessed as inhibition of glutamate-induced inositol phosphate ...

Bioorg Med Chem Lett 25: 3135-41 (2015)


BindingDB Entry DOI: 10.7270/Q2DZ0B3G
More data for this
Ligand-Target Pair