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BDBM50162557 (+/-)-4-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yloxymethyl)-benzoic acid::4-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo-indan-5-yloxymethyl)-benzoic acid::CHEMBL154542

SMILES: CC1(Cc2cc(OCc3ccc(cc3)C(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1

InChI Key: InChIKey=YPHXROJGPSUIEQ-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50162557   
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))
BDBM50162557
PNG
((+/-)-4-(6,7-Dichloro-2-cyclopentyl-2-methyl-1-oxo...)
Show SMILES CC1(Cc2cc(OCc3ccc(cc3)C(O)=O)c(Cl)c(Cl)c2C1=O)C1CCCC1
Show InChI InChI=1S/C23H22Cl2O4/c1-23(16-4-2-3-5-16)11-15-10-17(19(24)20(25)18(15)21(23)26)29-12-13-6-8-14(9-7-13)22(27)28/h6-10,16H,2-5,11-12H2,1H3,(H,27,28)
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 892n/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