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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 = 50201488   
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))
BDBM50201488
PNG
(CHEMBL239608 | N-(3-bromophenyl)-2-oxo-2,3-dihydro...)
Show SMILES Brc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Show InChI InChI=1S/C14H9BrN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
56n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Binding affinity to mGluR5


Bioorg Med Chem Lett 17: 1302-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.006
BindingDB Entry DOI: 10.7270/Q2H41R3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201488
PNG
(CHEMBL239608 | N-(3-bromophenyl)-2-oxo-2,3-dihydro...)
Show SMILES Brc1cccc(NC(=O)c2cccc3oc(=O)[nH]c23)c1
Show InChI InChI=1S/C14H9BrN2O3/c15-8-3-1-4-9(7-8)16-13(18)10-5-2-6-11-12(10)17-14(19)20-11/h1-7H,(H,16,18)(H,17,19)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 94n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 assessed as inhibition of Ca2+ efflux by FLIPR


Bioorg Med Chem Lett 17: 1302-6 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.006
BindingDB Entry DOI: 10.7270/Q2H41R3G
More data for this
Ligand-Target Pair