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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 Ligand = 'BDBM50202127'   
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))
BDBM50202127
PNG
(CHEMBL247746 | N-(4-chloro-2-((1,3-dioxoisoindolin...)
Show SMILES Clc1ccc(NC(=O)c2cccnc2)c(CN2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C21H14ClN3O3/c22-15-7-8-18(24-19(26)13-4-3-9-23-11-13)14(10-15)12-25-20(27)16-5-1-2-6-17(16)21(25)28/h1-11H,12H2,(H,24,26)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 3.50E+4n/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


(Rattus norvegicus (Rat))
BDBM50202127
PNG
(CHEMBL247746 | N-(4-chloro-2-((1,3-dioxoisoindolin...)
Show SMILES Clc1ccc(NC(=O)c2cccnc2)c(CN2C(=O)c3ccccc3C2=O)c1
Show InChI InChI=1S/C21H14ClN3O3/c22-15-7-8-18(24-19(26)13-4-3-9-23-11-13)14(10-15)12-25-20(27)16-5-1-2-6-17(16)21(25)28/h1-11H,12H2,(H,24,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<1.00E+3n/an/an/an/a



Merck& Co.

Curated by ChEMBL


Assay Description
Activity at rat 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