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5 similar compounds to monomer 50181779

Compile data set for download or QSAR
Wt: 199.2
BDBM50122759
Wt: 213.2
BDBM50149802
Wt: 213.2
BDBM50149803
Wt: 217.2
BDBM50181765
Wt: 258.7
BDBM50345552

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50122759,50149802,50149803,50181765,50345552   
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))
BDBM50345552
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-chlorobenzon...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C13H7ClN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
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0.127n/an/an/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPY from rat mGluR5 expressed in human HEK-293 cells by liquid scintillation counting


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122759
PNG
(2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042)
Show SMILES Cc1nc(cs1)C#Cc1ccccc1
Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
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6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested for displacement of [3H]3-methoxy-5-(pyridin-2-ylethynyl) pyridine from Metabotropic glutamate receptor 5 in rat cortical membrane


J Med Chem 46: 204-6 (2003)


Article DOI: 10.1021/jm025570j
BindingDB Entry DOI: 10.7270/Q28P5ZT7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50122759
PNG
(2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042)
Show SMILES Cc1nc(cs1)C#Cc1ccccc1
Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
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9n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149802
PNG
(2-Methyl-4-m-tolylethynyl-thiazole | 2-methyl-4-(m...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3
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10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50149803
PNG
(2-Methyl-4-p-tolylethynyl-thiazole | CHEMBL185813)
Show SMILES Cc1nc(cs1)C#Cc1ccc(C)cc1
Show InChI InChI=1S/C13H11NS/c1-10-3-5-12(6-4-10)7-8-13-9-15-11(2)14-13/h3-6,9H,1-2H3
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638n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement by compound of [3H]-3-methoxy-5-(pyridin-2-ylethynyl)pyridine from rat cortical membranes


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149802
PNG
(2-Methyl-4-m-tolylethynyl-thiazole | 2-methyl-4-(m...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3
PDB
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122759
PNG
(2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042)
Show SMILES Cc1nc(cs1)C#Cc1ccccc1
Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
PDB
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PubMed
n/an/a 4n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122759
PNG
(2-Methyl-4-phenylethynyl-thiazole | CHEMBL63042)
Show SMILES Cc1nc(cs1)C#Cc1ccccc1
Show InChI InChI=1S/C12H9NS/c1-10-13-12(9-14-10)8-7-11-5-3-2-4-6-11/h2-6,9H,1H3
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n/an/a 6n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Tested in vitro against human recombinant Metabotropic glutamate receptor 5 stably expressed in LtK cells by [Ca2+] flux assay using glutamate as ant...


J Med Chem 46: 204-6 (2003)


Article DOI: 10.1021/jm025570j
BindingDB Entry DOI: 10.7270/Q28P5ZT7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149802
PNG
(2-Methyl-4-m-tolylethynyl-thiazole | 2-methyl-4-(m...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3
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n/an/a 82.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181765
PNG
(4-(2-(4-fluorophenyl)ethynyl)-2-methylthiazole | C...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C12H8FNS/c1-9-14-12(8-15-9)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50345552
PNG
(3-(2-(2-methylthiazol-4-yl)ethynyl)-5-chlorobenzon...)
Show SMILES Cc1nc(cs1)C#Cc1cc(Cl)cc(c1)C#N
Show InChI InChI=1S/C13H7ClN2S/c1-9-16-13(8-17-9)3-2-10-4-11(7-15)6-12(14)5-10/h4-6,8H,1H3
PDB
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n/an/a 1.61n/an/an/an/an/an/a



Institute for Neurodegenerative Disorders

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in human HEK-293 cells assessed as inhibition of glutamate-induced intracellular calcium mobilization


Bioorg Med Chem Lett 21: 3243-7 (2011)


Article DOI: 10.1016/j.bmcl.2011.04.047
BindingDB Entry DOI: 10.7270/Q290244M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149803
PNG
(2-Methyl-4-p-tolylethynyl-thiazole | CHEMBL185813)
Show SMILES Cc1nc(cs1)C#Cc1ccc(C)cc1
Show InChI InChI=1S/C13H11NS/c1-10-3-5-12(6-4-10)7-8-13-9-15-11(2)14-13/h3-6,9H,1-2H3
PDB
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n/an/a 845n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
In vitro potency against human recombinant mGlu5 receptor was determined by [Ca2+] flux assay using glutamate as agonist


Bioorg Med Chem Lett 14: 3993-6 (2004)


Article DOI: 10.1016/j.bmcl.2004.05.037
BindingDB Entry DOI: 10.7270/Q2T43SKQ
More data for this
Ligand-Target Pair