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SMILES: O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2cccnc2)ccn1

InChI Key: InChIKey=ILOYVZADDSOBFT-JOCQHMNTSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 107260   
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


(Rattus norvegicus (Rat))		BDBM107260
PNG
(US8598345, Table 1-46)
Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1cc(Oc2cccnc2)ccn1 |r,wU:4.7,wD:1.0,(5.33,-5,;4,-4.23,;4,-2.69,;2.67,-1.93,;1.33,-2.69,;1.33,-4.23,;2.67,-5,;,-1.93,;-1.33,-2.69,;-1.33,-4.23,;-2.67,-1.93,;-2.67,-.38,;-4,.38,;-4,1.93,;-2.67,2.69,;-2.67,4.23,;-1.33,5,;,4.23,;,2.69,;-1.33,1.93,;-5.33,-.38,;-5.33,-1.93,;-4,-2.69,)|
Show InChI InChI=1S/C17H19N3O3/c21-13-5-3-12(4-6-13)20-17(22)16-10-14(7-9-19-16)23-15-2-1-8-18-11-15/h1-2,7-13,21H,3-6H2,(H,20,22)/t12-,13-
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Similars
US Patent
n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University

US Patent


Assay Description
mGluR5 activity was determined in a cell-based assay.

US Patent US8598345 (2013)


BindingDB Entry DOI: 10.7270/Q2RR1WX8
More data for this
Ligand-Target Pair