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SMILES: Cc1csc(NC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1

InChI Key: InChIKey=CQNWIUPMNQDIPY-LLVKDONJSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50503571   
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))		BDBM50503571
PNG
(CHEMBL4563956)
Show SMILES Cc1csc(NC(=O)c2cc(O[C@@H]3CCOC3)cc(C)n2)n1 |r|
Show InChI InChI=1S/C15H17N3O3S/c1-9-5-12(21-11-3-4-20-7-11)6-13(16-9)14(19)18-15-17-10(2)8-22-15/h5-6,8,11H,3-4,7H2,1-2H3,(H,17,18,19)/t11-/m1/s1
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n/an/a 28n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor assessed as inhibition of glutamate induced-calcium mobilization

Bioorg Med Chem Lett 29: 47-50 (2019)


Article DOI: 10.1016/j.bmcl.2018.11.017
More data for this
Ligand-Target Pair