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PubMed code 21126874

Compile data set for download or QSAR
Found 38 hits of Enzyme Inhibition Constant Data   
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


(Rattus norvegicus (Rat))
BDBM50334105
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyr...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1
Show InChI InChI=1S/C26H25N3O2/c1-20-8-13-25(27-19-20)28-14-16-29(17-15-28)26(30)23-11-12-24(31-2)22(18-23)10-9-21-6-4-3-5-7-21/h3-8,11-13,18-19H,14-17H2,1-2H3
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3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334106
PNG
((3-((3-chlorophenyl)ethynyl)-4-methoxyphenyl)(4-(p...)
Show SMILES COc1ccc(cc1C#Cc1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C24H21ClN4O2/c1-31-22-8-7-20(16-19(22)6-5-18-3-2-4-21(25)15-18)24(30)29-13-11-28(12-14-29)23-9-10-26-17-27-23/h2-4,7-10,15-17H,11-14H2,1H3
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5n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334108
PNG
((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-met...)
Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccc(C)cn1
Show InChI InChI=1S/C25H24N4O2/c1-19-6-11-24(27-18-19)28-13-15-29(16-14-28)25(30)21-8-10-23(31-2)20(17-21)7-9-22-5-3-4-12-26-22/h3-6,8,10-12,17-18H,13-16H2,1-2H3
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334107
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyridin-2-y...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-13-12-22(19-21(23)11-10-20-7-3-2-4-8-20)25(29)28-17-15-27(16-18-28)24-9-5-6-14-26-24/h2-9,12-14,19H,15-18H2,1H3
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19n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334109
PNG
((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrid...)
Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3
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21n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334110
PNG
((4-methoxy-3-(thiazol-2-ylethynyl)phenyl)(4-(pyrid...)
Show SMILES COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H20N4O2S/c1-28-19-7-5-18(16-17(19)6-8-21-24-10-15-29-21)22(27)26-13-11-25(12-14-26)20-4-2-3-9-23-20/h2-5,7,9-10,15-16H,11-14H2,1H3
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24n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334111
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyrazin-2-y...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C24H22N4O2/c1-30-22-10-9-21(17-20(22)8-7-19-5-3-2-4-6-19)24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-6,9-12,17-18H,13-16H2,1H3
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27n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334112
PNG
((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrim...)
Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C23H21N5O2/c1-30-21-8-6-19(16-18(21)5-7-20-4-2-3-10-25-20)23(29)28-14-12-27(13-15-28)22-9-11-24-17-26-22/h2-4,6,8-11,16-17H,12-15H2,1H3
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30n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334113
PNG
((4-methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl...)
Show SMILES COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H24N4O2/c1-19-6-5-7-22(27-19)11-9-20-18-21(10-12-23(20)31-2)25(30)29-16-14-28(15-17-29)24-8-3-4-13-26-24/h3-8,10,12-13,18H,14-17H2,1-2H3
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35n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334114
PNG
((4-methyl-3-(phenylethynyl)phenyl)(4-(pyridin-2-yl...)
Show SMILES Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O/c1-20-10-12-23(19-22(20)13-11-21-7-3-2-4-8-21)25(29)28-17-15-27(16-18-28)24-9-5-6-14-26-24/h2-10,12,14,19H,15-18H2,1H3
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59n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334115
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyrimidin-4...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C24H22N4O2/c1-30-22-10-9-21(17-20(22)8-7-19-5-3-2-4-6-19)24(29)28-15-13-27(14-16-28)23-11-12-25-18-26-23/h2-6,9-12,17-18H,13-16H2,1H3
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62n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334116
PNG
((4-(5-methylpyridin-2-yl)piperazin-1-yl)(3-(phenyl...)
Show SMILES Cc1ccc(nc1)N1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C25H23N3O/c1-20-10-13-24(26-19-20)27-14-16-28(17-15-27)25(29)23-9-5-8-22(18-23)12-11-21-6-3-2-4-7-21/h2-10,13,18-19H,14-17H2,1H3
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65n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334117
PNG
((4-(pyridin-2-yl)piperazin-1-yl)(3-(pyridin-2-ylet...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C23H20N4O/c28-23(27-16-14-26(15-17-27)22-9-2-4-13-25-22)20-7-5-6-19(18-20)10-11-21-8-1-3-12-24-21/h1-9,12-13,18H,14-17H2
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96n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334118
PNG
((3-(phenylethynyl)phenyl)(4-(pyridin-2-yl)piperazi...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H21N3O/c28-24(27-17-15-26(16-18-27)23-11-4-5-14-25-23)22-10-6-9-21(19-22)13-12-20-7-2-1-3-8-20/h1-11,14,19H,15-18H2
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139n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334119
PNG
((3-(3-phenylprop-1-ynyl)phenyl)(4-(pyridin-2-yl)pi...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1
Show InChI InChI=1S/C25H23N3O/c29-25(28-18-16-27(17-19-28)24-14-4-5-15-26-24)23-13-7-12-22(20-23)11-6-10-21-8-2-1-3-9-21/h1-5,7-9,12-15,20H,10,16-19H2
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139n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334120
PNG
((4-methyl-3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl...)
Show SMILES Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C24H22N4O/c1-19-7-9-22(17-21(19)10-8-20-5-3-2-4-6-20)24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-7,9,11-12,17-18H,13-16H2,1H3
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145n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334121
PNG
((3-((3-methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-...)
Show SMILES COc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-9-5-7-21(19-23)12-11-20-6-4-8-22(18-20)25(29)28-16-14-27(15-17-28)24-10-2-3-13-26-24/h2-10,13,18-19H,14-17H2,1H3
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212n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334122
PNG
((3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl)piperazi...)
Show SMILES O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C23H20N4O/c28-23(27-15-13-26(14-16-27)22-18-24-11-12-25-22)21-8-4-7-20(17-21)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18H,13-16H2
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401n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334123
PNG
((3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl...)
Show SMILES Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H22N4O/c25-22-8-4-6-20(18-22)11-10-19-5-3-7-21(17-19)24(29)28-15-13-27(14-16-28)23-9-1-2-12-26-23/h1-9,12,17-18H,13-16,25H2
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430n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334124
PNG
((3-(phenylethynyl)phenyl)(4-(pyrimidin-4-yl)pipera...)
Show SMILES O=C(N1CCN(CC1)c1ccncn1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C23H20N4O/c28-23(27-15-13-26(14-16-27)22-11-12-24-18-25-22)21-8-4-7-20(17-21)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18H,13-16H2
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451n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334125
PNG
((4-(pyridin-2-yl)piperazin-1-yl)(3-(p-tolylethynyl...)
Show SMILES Cc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O/c1-20-8-10-21(11-9-20)12-13-22-5-4-6-23(19-22)25(29)28-17-15-27(16-18-28)24-7-2-3-14-26-24/h2-11,14,19H,15-18H2,1H3
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1.91E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334126
PNG
((3-((4-methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-...)
Show SMILES COc1ccc(cc1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-12-10-20(11-13-23)8-9-21-5-4-6-22(19-21)25(29)28-17-15-27(16-18-28)24-7-2-3-14-26-24/h2-7,10-14,19H,15-18H2,1H3
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2.36E+3n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [3H]-MPEP from rat mGluR5 expressed in HEK293 cells


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334110
PNG
((4-methoxy-3-(thiazol-2-ylethynyl)phenyl)(4-(pyrid...)
Show SMILES COc1ccc(cc1C#Cc1nccs1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C22H20N4O2S/c1-28-19-7-5-18(16-17(19)6-8-21-24-10-15-29-21)22(27)26-13-11-25(12-14-26)20-4-2-3-9-23-20/h2-5,7,9-10,15-16H,11-14H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334109
PNG
((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(pyrid...)
Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H22N4O2/c1-30-22-11-9-20(18-19(22)8-10-21-6-2-4-12-25-21)24(29)28-16-14-27(15-17-28)23-7-3-5-13-26-23/h2-7,9,11-13,18H,14-17H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334113
PNG
((4-methoxy-3-((6-methylpyridin-2-yl)ethynyl)phenyl...)
Show SMILES COc1ccc(cc1C#Cc1cccc(C)n1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H24N4O2/c1-19-6-5-7-22(27-19)11-9-20-18-21(10-12-23(20)31-2)25(30)29-16-14-28(15-17-29)24-8-3-4-13-26-24/h3-8,10,12-13,18H,14-17H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334108
PNG
((4-methoxy-3-(pyridin-2-ylethynyl)phenyl)(4-(5-met...)
Show SMILES COc1ccc(cc1C#Cc1ccccn1)C(=O)N1CCN(CC1)c1ccc(C)cn1
Show InChI InChI=1S/C25H24N4O2/c1-19-6-11-24(27-18-19)28-13-15-29(16-14-28)25(30)21-8-10-23(31-2)20(17-21)7-9-22-5-3-4-12-26-22/h3-6,8,10-12,17-18H,13-16H2,1-2H3
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n/an/a 31n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334105
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(5-methylpyr...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccc(C)cn1
Show InChI InChI=1S/C26H25N3O2/c1-20-8-13-25(27-19-20)28-14-16-29(17-15-28)26(30)23-11-12-24(31-2)22(18-23)10-9-21-6-4-3-5-7-21/h3-8,11-13,18-19H,14-17H2,1-2H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334107
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyridin-2-y...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-13-12-22(19-21(23)11-10-20-7-3-2-4-8-20)25(29)28-17-15-27(16-18-28)24-9-5-6-14-26-24/h2-9,12-14,19H,15-18H2,1H3
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n/an/a 40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334115
PNG
((4-methoxy-3-(phenylethynyl)phenyl)(4-(pyrimidin-4...)
Show SMILES COc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C24H22N4O2/c1-30-22-10-9-21(17-20(22)8-7-19-5-3-2-4-6-19)24(29)28-15-13-27(14-16-28)23-11-12-25-18-26-23/h2-6,9-12,17-18H,13-16H2,1H3
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n/an/a 46n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334106
PNG
((3-((3-chlorophenyl)ethynyl)-4-methoxyphenyl)(4-(p...)
Show SMILES COc1ccc(cc1C#Cc1cccc(Cl)c1)C(=O)N1CCN(CC1)c1ccncn1
Show InChI InChI=1S/C24H21ClN4O2/c1-31-22-8-7-20(16-19(22)6-5-18-3-2-4-21(25)15-18)24(30)29-13-11-28(12-14-29)23-9-10-26-17-27-23/h2-4,7-10,15-17H,11-14H2,1H3
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n/an/a 66n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334119
PNG
((3-(3-phenylprop-1-ynyl)phenyl)(4-(pyridin-2-yl)pi...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#CCc1ccccc1
Show InChI InChI=1S/C25H23N3O/c29-25(28-18-16-27(17-19-28)24-14-4-5-15-26-24)23-13-7-12-22(20-23)11-6-10-21-8-2-1-3-9-21/h1-5,7-9,12-15,20H,10,16-19H2
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n/an/a 163n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334117
PNG
((4-(pyridin-2-yl)piperazin-1-yl)(3-(pyridin-2-ylet...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccn1
Show InChI InChI=1S/C23H20N4O/c28-23(27-16-14-26(15-17-27)22-9-2-4-13-25-22)20-7-5-6-19(18-20)10-11-21-8-1-3-12-24-21/h1-9,12-13,18H,14-17H2
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n/an/a 172n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334116
PNG
((4-(5-methylpyridin-2-yl)piperazin-1-yl)(3-(phenyl...)
Show SMILES Cc1ccc(nc1)N1CCN(CC1)C(=O)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C25H23N3O/c1-20-10-13-24(26-19-20)27-14-16-28(17-15-27)25(29)23-9-5-8-22(18-23)12-11-21-6-3-2-4-7-21/h2-10,13,18-19H,14-17H2,1H3
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n/an/a 181n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334120
PNG
((4-methyl-3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl...)
Show SMILES Cc1ccc(cc1C#Cc1ccccc1)C(=O)N1CCN(CC1)c1cnccn1
Show InChI InChI=1S/C24H22N4O/c1-19-7-9-22(17-21(19)10-8-20-5-3-2-4-6-20)24(29)28-15-13-27(14-16-28)23-18-25-11-12-26-23/h2-7,9,11-12,17-18H,13-16H2,1H3
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n/an/a 192n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334118
PNG
((3-(phenylethynyl)phenyl)(4-(pyridin-2-yl)piperazi...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C24H21N3O/c28-24(27-17-15-26(16-18-27)23-11-4-5-14-25-23)22-10-6-9-21(19-22)13-12-20-7-2-1-3-8-20/h1-11,14,19H,15-18H2
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n/an/a 926n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334122
PNG
((3-(phenylethynyl)phenyl)(4-(pyrazin-2-yl)piperazi...)
Show SMILES O=C(N1CCN(CC1)c1cnccn1)c1cccc(c1)C#Cc1ccccc1
Show InChI InChI=1S/C23H20N4O/c28-23(27-15-13-26(14-16-27)22-18-24-11-12-25-22)21-8-4-7-20(17-21)10-9-19-5-2-1-3-6-19/h1-8,11-12,17-18H,13-16H2
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n/an/a 1.38E+3n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334123
PNG
((3-((3-aminophenyl)ethynyl)phenyl)(4-(pyridin-2-yl...)
Show SMILES Nc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C24H22N4O/c25-22-8-4-6-20(18-22)11-10-19-5-3-7-21(17-19)24(29)28-15-13-27(14-16-28)23-9-1-2-12-26-23/h1-9,12,17-18H,13-16,25H2
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50334121
PNG
((3-((3-methoxyphenyl)ethynyl)phenyl)(4-(pyridin-2-...)
Show SMILES COc1cccc(c1)C#Cc1cccc(c1)C(=O)N1CCN(CC1)c1ccccn1
Show InChI InChI=1S/C25H23N3O2/c1-30-23-9-5-7-21(19-23)12-11-20-6-4-8-22(18-20)25(29)28-16-14-27(15-17-28)24-10-2-3-13-26-24/h2-10,13,18-19H,14-17H2,1H3
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n/an/a 1.00E+4n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells assessed as inhibition of L-glutamate-induced calcium mobilization by FLIPR assay


Bioorg Med Chem Lett 21: 195-9 (2010)


Article DOI: 10.1016/j.bmcl.2010.11.038
BindingDB Entry DOI: 10.7270/Q2GQ6Z02
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%