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BDBM50162579 2-Cyclopentyl-6,7-dimethyl-5-[3-(pyridin-4-ylsulfanylmethyl)-benzyloxy]-indan-1-one::CHEMBL359909

SMILES: Cc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1C)C1CCCC1

InChI Key: InChIKey=ZCBYLQDGEAYSSU-UHFFFAOYSA-N

Data: 1 EC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162579   
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))
BDBM50162579
PNG
(2-Cyclopentyl-6,7-dimethyl-5-[3-(pyridin-4-ylsulfa...)
Show SMILES Cc1c2C(=O)C(Cc2cc(OCc2cccc(CSc3ccncc3)c2)c1C)C1CCCC1
Show InChI InChI=1S/C29H31NO2S/c1-19-20(2)28-24(15-26(29(28)31)23-8-3-4-9-23)16-27(19)32-17-21-6-5-7-22(14-21)18-33-25-10-12-30-13-11-25/h5-7,10-14,16,23,26H,3-4,8-9,15,17-18H2,1-2H3
PDB

UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 596n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity against metabotropic glutamate receptor 2


Bioorg Med Chem Lett 15: 1565-71 (2005)


Article DOI: 10.1016/j.bmcl.2005.01.077
BindingDB Entry DOI: 10.7270/Q2XW4JBK
More data for this
Ligand-Target Pair