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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 = 'BDBM50071371'   
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))
BDBM50071371
PNG
(CHEMBL3410221)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
32n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071371
PNG
(CHEMBL3410221)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 97n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair