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Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5' and Monomerid = 50156082   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156082
PNG
(CHEMBL362969 | N-(4-bromo-2-((1,3-dioxoisoindolin-...)
Show SMILES Brc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C21H14BrN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 750n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Activity at human mGluR5 expressed in CHO cells assessed as potentiation of glutamate response by FLIPR assay


Bioorg Med Chem Lett 17: 1386-91 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.081
BindingDB Entry DOI: 10.7270/Q22V2GXH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50156082
PNG
(CHEMBL362969 | N-(4-bromo-2-((1,3-dioxoisoindolin-...)
Show SMILES Brc1ccc(NC(=O)c2ccccn2)c(CN2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C21H14BrN3O3/c22-14-8-9-17(24-19(26)18-7-3-4-10-23-18)13(11-14)12-25-20(27)15-5-1-2-6-16(15)21(25)28/h1-11H,12H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a 740n/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Effective concentration against metabotropic glutamate receptor 5 of human transfected into CHO cells


J Med Chem 47: 5825-8 (2004)


Article DOI: 10.1021/jm049400d
BindingDB Entry DOI: 10.7270/Q2HQ3ZC5
More data for this
Ligand-Target Pair