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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 = 'BDBM50262623'   
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


(Rattus norvegicus (Rat))
BDBM50262623
PNG
(CHEMBL4092008)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1
Show InChI InChI=1S/C17H9F3N6O2/c18-9-1-2-14(22-4-9)25-17(27)11-3-10(7-26-16(11)23-8-24-26)28-13-6-21-5-12(19)15(13)20/h1-8H,(H,22,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50262623
PNG
(CHEMBL4092008)
Show SMILES Fc1ccc(NC(=O)c2cc(Oc3cncc(F)c3F)cn3ncnc23)nc1
Show InChI InChI=1S/C17H9F3N6O2/c18-9-1-2-14(22-4-9)25-17(27)11-3-10(7-26-16(11)23-8-24-26)28-13-6-21-5-12(19)15(13)20/h1-8H,(H,22,25,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 41n/an/an/an/an/an/a



Vanderbilt Center for Neuroscience Drug Discovery, Vanderbilt University, Nashville, TN 37232, USA; Department of Pharmacology, Vanderbilt University, Nashville, TN 37232, USA.

Curated by ChEMBL


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


Bioorg Med Chem Lett 27: 4858-4866 (2017)


Article DOI: 10.1016/j.bmcl.2017.09.042
BindingDB Entry DOI: 10.7270/Q2V1278Z
More data for this
Ligand-Target Pair