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4 similar compounds to monomer 50084137

Wt: 218.2
BDBM50160632
Wt: 208.2
BDBM50160648
Wt: 227.6
BDBM50201669
Wt: 194.2
BDBM50201673

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50160632,50160648,50201669,50201673   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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PubMed
1.04n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in Sprague-Dawley rat brain membrane after 60 mins by liquid scintillation counting


ACS Med Chem Lett 3: 544-549 (2012)


Article DOI: 10.1021/ml3000726
BindingDB Entry DOI: 10.7270/Q21C1Z4G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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1.30n/an/an/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat brain recombinant mGluR5 expressed in HEK293T cells by scintillation counting


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160648
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-phenylamine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(N)c1
Show InChI InChI=1S/C14H12N2/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,15H2,1H3
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n/an/a 188n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Concentration required for 50% growth inhibition of rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201669
PNG
(2-(2-(4-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN/c1-11-3-2-4-14(16-11)10-7-12-5-8-13(15)9-6-12/h2-6,8-9H,1H3
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Article
PubMed
n/an/a 1.02E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 by FLIPR


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
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n/an/a 13n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inverse agonist activity at rat mGluR5 expressed in HEK293A cells coexpressing Gqalpha assessed as inhibition of quisqualic-induced D-myo-inositol 1 ...


ACS Med Chem Lett 3: 544-549 (2012)


Article DOI: 10.1021/ml3000726
BindingDB Entry DOI: 10.7270/Q21C1Z4G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201673
PNG
(2-methyl-6-(2-(pyridin-4-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccncc1
Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-13(15-11)6-5-12-7-9-14-10-8-12/h2-4,7-10H,1H3
PDB
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Article
PubMed
n/an/a 213n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 by FLIPR


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201669
PNG
(2-(2-(4-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccc(Cl)cc1
Show InChI InChI=1S/C14H10ClN/c1-11-3-2-4-14(16-11)10-7-12-5-8-13(15)9-6-12/h2-6,8-9H,1H3
PDB
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PC sid
UniChem

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Article
PubMed
n/an/a 286n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
PDB
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n/an/a 5n/an/an/an/an/an/a



Yale University

Curated by ChEMBL


Assay Description
Concentration required for 50% growth inhibition of rat metabotropic glutamate receptor 5 was determined using inositol phosphate hydrolysis assay


Bioorg Med Chem Lett 15: 945-9 (2005)


Article DOI: 10.1016/j.bmcl.2004.12.047
BindingDB Entry DOI: 10.7270/Q2QN6681
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50160632
PNG
(3-(6-Methyl-pyridin-2-ylethynyl)-benzonitrile | 3-...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C15H10N2/c1-12-4-2-7-15(17-12)9-8-13-5-3-6-14(10-13)11-16/h2-7,10H,1H3
PDB
MMDB

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PubMed
n/an/a 0.420n/an/an/an/an/an/a



National Institute on Drug Abuse-Intramural Research Program

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293A cells assessed as glutamate-induced calcium flux preincubated for 140 sec before glutamate cha...


J Med Chem 52: 3563-75 (2009)


Article DOI: 10.1021/jm900172f
BindingDB Entry DOI: 10.7270/Q2K937FV
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50201673
PNG
(2-methyl-6-(2-(pyridin-4-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccncc1
Show InChI InChI=1S/C13H10N2/c1-11-3-2-4-13(15-11)6-5-12-7-9-14-10-8-12/h2-4,7-10H,1H3
PDB
MMDB

KEGG

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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor


Bioorg Med Chem Lett 17: 1307-11 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.033
BindingDB Entry DOI: 10.7270/Q2V987R8
More data for this
Ligand-Target Pair