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PubMed code 17196387

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 5


(Homo sapiens (Human))
BDBM50201672
PNG
(2-(2-(3-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3
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n/an/a 3n/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 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 4n/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 5


(Homo sapiens (Human))
BDBM50201661
PNG
(2-(2-(2-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1Cl
Show InChI InChI=1S/C14H10ClN/c1-11-5-4-7-13(16-11)10-9-12-6-2-3-8-14(12)15/h2-8H,1H3
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n/an/a 5n/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 5


(Homo sapiens (Human))
BDBM50201672
PNG
(2-(2-(3-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C14H10ClN/c1-11-4-2-7-14(16-11)9-8-12-5-3-6-13(15)10-12/h2-7,10H,1H3
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n/an/a 7n/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))
BDBM50201660
PNG
(2-methyl-6-(2-(pyridin-3-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1cccnc1
Show InChI InChI=1S/C13H10N2/c1-11-4-2-6-13(15-11)8-7-12-5-3-9-14-10-12/h2-6,9-10H,1H3
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n/an/a 10n/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 5


(Homo sapiens (Human))
BDBM50201661
PNG
(2-(2-(2-chlorophenyl)ethynyl)-6-methylpyridine | C...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1Cl
Show InChI InChI=1S/C14H10ClN/c1-11-5-4-7-13(16-11)10-9-12-6-2-3-8-14(12)15/h2-8H,1H3
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n/an/a 15n/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))
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
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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
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 29n/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))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 38n/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))
BDBM50201666
PNG
(2-methyl-6-(2-(pyridin-2-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccccn1
Show InChI InChI=1S/C13H10N2/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-7,10H,1H3
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n/an/a 39n/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 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 61n/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 5


(Homo sapiens (Human))
BDBM50201660
PNG
(2-methyl-6-(2-(pyridin-3-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1cccnc1
Show InChI InChI=1S/C13H10N2/c1-11-4-2-6-13(15-11)8-7-12-5-3-9-14-10-12/h2-6,9-10H,1H3
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n/an/a 66n/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))
BDBM50201658
PNG
((E)-1-(4-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimi...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1csc(Cl)c1
Show InChI InChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2-4,15H,1H3,(H2,11,12,13,16)
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n/an/a 78n/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 5


(Homo sapiens (Human))
BDBM50201664
PNG
((E)-1-(6-chloropyridin-2-yl)-3-(1-methyl-4-oxoimid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ncccc1Cl
Show InChI InChI=1S/C10H10ClN5O2/c1-16-5-7(17)13-9(16)15-10(18)14-8-6(11)3-2-4-12-8/h2-5,17H,1H3,(H2,12,13,14,15,18)
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n/an/a 166n/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 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
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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
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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 5


(Homo sapiens (Human))
BDBM50179657
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(6-...)
Show SMILES Cc1cccnc1NC(=O)Nc1nc(O)cn1C
Show InChI InChI=1S/C11H13N5O2/c1-7-4-3-5-12-9(7)14-11(18)15-10-13-8(17)6-16(10)2/h3-6,17H,1-2H3,(H2,12,13,14,15,18)
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n/an/a 320n/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 5


(Homo sapiens (Human))
BDBM50201666
PNG
(2-methyl-6-(2-(pyridin-2-yl)ethynyl)pyridine | CHE...)
Show SMILES Cc1cccc(n1)C#Cc1ccccn1
Show InChI InChI=1S/C13H10N2/c1-11-5-4-7-13(15-11)9-8-12-6-2-3-10-14-12/h2-7,10H,1H3
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n/an/a 400n/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))
BDBM50201658
PNG
((E)-1-(4-chlorothiophen-3-yl)-3-(1-methyl-4-oxoimi...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1csc(Cl)c1
Show InChI InChI=1S/C9H9ClN4O2S/c1-14-3-7(15)12-8(14)13-9(16)11-5-2-6(10)17-4-5/h2-4,15H,1H3,(H2,11,12,13,16)
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n/an/a 434n/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))
BDBM50201665
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccn1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-4-2-3-5-11-7/h2-6,16H,1H3,(H2,11,12,13,14,17)
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n/an/a 587n/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 5


(Homo sapiens (Human))
BDBM50201674
PNG
((E)-1-(2-chloropyridin-4-yl)-3-(1-methyl-4-oxoimid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccncc1Cl
Show InChI InChI=1S/C10H10ClN5O2/c1-16-5-8(17)14-9(16)15-10(18)13-7-2-3-12-4-6(7)11/h2-5,17H,1H3,(H2,12,13,14,15,18)
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n/an/a 663n/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 5


(Homo sapiens (Human))
BDBM50179657
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(6-...)
Show SMILES Cc1cccnc1NC(=O)Nc1nc(O)cn1C
Show InChI InChI=1S/C11H13N5O2/c1-7-4-3-5-12-9(7)14-11(18)15-10-13-8(17)6-16(10)2/h3-6,17H,1-2H3,(H2,12,13,14,15,18)
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n/an/a 681n/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))
BDBM50201671
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(th...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccsc1
Show InChI InChI=1S/C9H10N4O2S/c1-13-4-7(14)11-8(13)12-9(15)10-6-2-3-16-5-6/h2-5,14H,1H3,(H2,10,11,12,15)
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n/an/a 700n/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 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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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 5


(Homo sapiens (Human))
BDBM50201665
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccn1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-4-2-3-5-11-7/h2-6,16H,1H3,(H2,11,12,13,14,17)
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n/an/a 1.10E+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 5


(Homo sapiens (Human))
BDBM50201663
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccncc1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-2-4-11-5-3-7/h2-6,16H,1H3,(H2,11,12,13,14,17)
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n/an/a 1.12E+3n/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 5


(Homo sapiens (Human))
BDBM50201659
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phe...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-7,16H,1H3,(H2,12,13,14,17)
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n/an/a 1.36E+3n/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 5


(Homo sapiens (Human))
BDBM50201676
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(2-...)
Show SMILES Cc1cnccc1NC(=O)Nc1nc(O)cn1C
Show InChI InChI=1S/C11H13N5O2/c1-7-5-12-4-3-8(7)13-11(18)15-10-14-9(17)6-16(10)2/h3-6,17H,1-2H3,(H2,12,13,14,15,18)
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n/an/a 1.60E+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 5


(Homo sapiens (Human))
BDBM50201662
PNG
((E)-1-(2-chlorophenyl)-3-(1-methyl-4-oxoimidazolid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-5-3-2-4-7(8)12/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 2.52E+3n/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 5


(Homo sapiens (Human))
BDBM50201676
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(2-...)
Show SMILES Cc1cnccc1NC(=O)Nc1nc(O)cn1C
Show InChI InChI=1S/C11H13N5O2/c1-7-5-12-4-3-8(7)13-11(18)15-10-14-9(17)6-16(10)2/h3-6,17H,1-2H3,(H2,12,13,14,15,18)
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n/an/a 2.67E+3n/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 5


(Homo sapiens (Human))
BDBM50201659
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-phe...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccc1
Show InChI InChI=1S/C11H12N4O2/c1-15-7-9(16)13-10(15)14-11(17)12-8-5-3-2-4-6-8/h2-7,16H,1H3,(H2,12,13,14,17)
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n/an/a 3.30E+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 5


(Homo sapiens (Human))
BDBM50201671
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(th...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccsc1
Show InChI InChI=1S/C9H10N4O2S/c1-13-4-7(14)11-8(13)12-9(15)10-6-2-3-16-5-6/h2-5,14H,1H3,(H2,10,11,12,15)
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n/an/a 4.02E+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 5


(Homo sapiens (Human))
BDBM50201675
PNG
((E)-1-(4-chlorophenyl)-3-(1-methyl-4-oxoimidazolid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-7(12)3-5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a>5.00E+3n/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 5


(Homo sapiens (Human))
BDBM50201667
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccnc1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-3-2-4-11-5-7/h2-6,16H,1H3,(H2,12,13,14,17)
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n/an/a>5.00E+3n/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 5


(Homo sapiens (Human))
BDBM50201667
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccnc1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-3-2-4-11-5-7/h2-6,16H,1H3,(H2,12,13,14,17)
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n/an/a>5.00E+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 5


(Homo sapiens (Human))
BDBM50201675
PNG
((E)-1-(4-chlorophenyl)-3-(1-methyl-4-oxoimidazolid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccc(Cl)cc1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-7(12)3-5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a>5.00E+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 5


(Homo sapiens (Human))
BDBM50201663
PNG
((E)-1-(1-methyl-4-oxoimidazolidin-2-ylidene)-3-(py...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccncc1
Show InChI InChI=1S/C10H11N5O2/c1-15-6-8(16)13-9(15)14-10(17)12-7-2-4-11-5-3-7/h2-6,16H,1H3,(H2,11,12,13,14,17)
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n/an/a>5.00E+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 5


(Homo sapiens (Human))
BDBM50201662
PNG
((E)-1-(2-chlorophenyl)-3-(1-methyl-4-oxoimidazolid...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-5-3-2-4-7(8)12/h2-6,17H,1H3,(H2,13,14,15,18)
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n/an/a 6.80E+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
* indicates data uncertainty>20%