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BDBM50332006 1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-(pyrimidin-2-ylmethoxy)ethanone::CHEMBL1290330

SMILES: Clc1ccc(N2CCN(CC2)C(=O)COCc2ncccn2)c(Cl)c1

InChI Key: InChIKey=SKTPNSULHIIWFC-UHFFFAOYSA-N

Data: 1 EC50

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   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50332006   
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


(Homo sapiens (Human))
BDBM50332006
PNG
(1-(4-(2,4-dichlorophenyl)piperazin-1-yl)-2-(pyrimi...)
Show SMILES Clc1ccc(N2CCN(CC2)C(=O)COCc2ncccn2)c(Cl)c1
Show InChI InChI=1S/C17H18Cl2N4O2/c18-13-2-3-15(14(19)10-13)22-6-8-23(9-7-22)17(24)12-25-11-16-20-4-1-5-21-16/h1-5,10H,6-9,11-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 1.80E+4n/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGluR5 expressed in HEK293 cells assessed as Ca2+ influx by FLIPR assay


Bioorg Med Chem Lett 20: 7381-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.10.036
BindingDB Entry DOI: 10.7270/Q27S7P13
More data for this
Ligand-Target Pair