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SMILES: CC(C)CC(=O)c1ccc(OCc2ccc(Sc3ccncc3)cc2)c(C)c1O

InChI Key: InChIKey=DKKGNLLQEOAOHC-UHFFFAOYSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50155711   
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))		BDBM50155711
PNG
(1-{2-Hydroxy-3-methyl-4-[4-(pyridin-4-ylsulfanyl)-...)
Show SMILES CC(C)CC(=O)c1ccc(OCc2ccc(Sc3ccncc3)cc2)c(C)c1O
Show InChI InChI=1S/C24H25NO3S/c1-16(2)14-22(26)21-8-9-23(17(3)24(21)27)28-15-18-4-6-19(7-5-18)29-20-10-12-25-13-11-20/h4-13,16,27H,14-15H2,1-3H3
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Article
PubMed
n/an/an/an/a 1.06E+3n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity towards human metabotropic glutamate receptor 2 determined by [35S]-GTP gama S binding assay

Bioorg Med Chem Lett 14: 5867-72 (2004)


Article DOI: 10.1016/j.bmcl.2004.09.028
BindingDB Entry DOI: 10.7270/Q2XW4J94
More data for this
Ligand-Target Pair