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SMILES: CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O

InChI Key: InChIKey=XNOOGVVHDONCJW-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50153744   
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 2


(Homo sapiens (Human))		BDBM50153744
PNG
(4-(4-Acetyl-3-hydroxy-2-propyl-phenoxy)-butyric ac...)
Show SMILES CCCc1c(OCCCC(=O)Oc2ccc(cc2)-c2nnn[nH]2)ccc(C(C)=O)c1O
Show InChI InChI=1S/C22H24N4O5/c1-3-5-18-19(12-11-17(14(2)27)21(18)29)30-13-4-6-20(28)31-16-9-7-15(8-10-16)22-23-25-26-24-22/h7-12,29H,3-6,13H2,1-2H3,(H,23,24,25,26)
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Article
PubMed
n/an/an/an/a 7.52E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration for binding to human metabotropic glutamate receptor 2 as determined by GTPgammaS assay

Bioorg Med Chem Lett 14: 5329-32 (2004)


Article DOI: 10.1016/j.bmcl.2004.08.020
BindingDB Entry DOI: 10.7270/Q21Z43W0
More data for this
Ligand-Target Pair