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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 = 'BDBM50134476'   
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))
BDBM50134476
PNG
(CHEMBL3746299)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50134476
PNG
(CHEMBL3746299)
Show SMILES Fc1ccc(cc1)N1CCn2nc(COc3ccccc3)c(Cl)c2C1=O
Show InChI InChI=1S/C19H15ClFN3O2/c20-17-16(12-26-15-4-2-1-3-5-15)22-24-11-10-23(19(25)18(17)24)14-8-6-13(21)7-9-14/h1-9H,10-12H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a<3.02E+4n/an/an/an/a



Janssen Research and Development

Curated by ChEMBL


Assay Description
Positive allosteric modulation of human mGlu5 expressed in HEK293 cells assessed as glutamate-induced calcium mobilization


Bioorg Med Chem Lett 26: 429-34 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.098
BindingDB Entry DOI: 10.7270/Q2SJ1NGS
More data for this
Ligand-Target Pair