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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 = 'BDBM50349542'   
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))
BDBM50349542
PNG
(CHEMBL1808866)
Show SMILES Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cccs1
Show InChI InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
89n/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))
BDBM50349542
PNG
(CHEMBL1808866)
Show SMILES Clc1cccc(c1)-c1ccc(cn1)C1CCCN1C(=O)c1cccs1
Show InChI InChI=1S/C20H17ClN2OS/c21-16-5-1-4-14(12-16)17-9-8-15(13-22-17)18-6-2-10-23(18)20(24)19-7-3-11-25-19/h1,3-5,7-9,11-13,18H,2,6,10H2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8n/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