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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 = 'BDBM50349568'   
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))
BDBM50349568
PNG
(CHEMBL1808876)
Show SMILES Cc1cc(ncc1C1CCCN1C(=O)c1ccncn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClN4O/c1-14-10-19(15-4-2-5-16(22)11-15)24-12-17(14)20-6-3-9-26(20)21(27)18-7-8-23-13-25-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
180n/an/an/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from human mGluR5 expressed in CHO cells after 60 mins


Bioorg Med Chem Lett 21: 4891-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.014
BindingDB Entry DOI: 10.7270/Q2CN748G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50349568
PNG
(CHEMBL1808876)
Show SMILES Cc1cc(ncc1C1CCCN1C(=O)c1ccncn1)-c1cccc(Cl)c1
Show InChI InChI=1S/C21H19ClN4O/c1-14-10-19(15-4-2-5-16(22)11-15)24-12-17(14)20-6-3-9-26(20)21(27)18-7-8-23-13-25-18/h2,4-5,7-8,10-13,20H,3,6,9H2,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 84n/an/an/an/an/an/a



Lundbeck Research USA, Inc.

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu5 receptor expressed in HEK293 cells assessed as inhibition of glutamate-induced calcium mobilization aft...


Bioorg Med Chem Lett 21: 4891-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.06.014
BindingDB Entry DOI: 10.7270/Q2CN748G
More data for this
Ligand-Target Pair