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PubMed code 19854049

Compile data set for download or QSAR
Found 49 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


(Rattus norvegicus (Rat))
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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4.70n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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116n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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249n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311858
PNG
(CHEMBL1076333 | N-(3-bromophenyl)-6-fluoroquinazol...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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736n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]3methoxy-5-(pyridin-2-ylethynyl)pyridine from rat mGluR5


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311858
PNG
(CHEMBL1076333 | N-(3-bromophenyl)-6-fluoroquinazol...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 96n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 124n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM4397
PNG
(4-Anilidoquinazoline deriv. 12a | 6-chloro-N-(3-ch...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C14H9Cl2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 130n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311884
PNG
(6-bromo-N-(3-bromophenyl)quinazolin-4-amine | CHEM...)
Show SMILES Brc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9Br2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 174n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311883
PNG
(6-bromo-N-m-tolylquinazolin-4-amine | CHEMBL108153...)
Show SMILES Cc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C15H12BrN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
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n/an/a 246n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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n/an/a 256n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311879
PNG
(CHEMBL1080816 | N-(3-chlorophenyl)-6-nitroquinazol...)
Show SMILES [O-][N+](=O)c1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H9ClN4O2/c15-9-2-1-3-10(6-9)18-14-12-7-11(19(20)21)4-5-13(12)16-8-17-14/h1-8H,(H,16,17,18)
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n/an/a 274n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311880
PNG
(CHEMBL1081540 | N-(3-chlorophenyl)-6-fluoroquinazo...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C14H9ClFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 311n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50311887
PNG
(6-bromo-N-(3-chlorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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n/an/a 398n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in BHK cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50311858
PNG
(CHEMBL1076333 | N-(3-bromophenyl)-6-fluoroquinazol...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrFN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 713n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in BHK cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50311876
PNG
(CHEMBL1075626 | N-(3-bromophenyl)-6-chloroquinazol...)
Show SMILES Clc1ccc2ncnc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H9BrClN3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 955n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in BHK cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311857
PNG
(6-fluoro-N-m-tolylquinazolin-4-amine | CHEMBL10795...)
Show SMILES Cc1cccc(Nc2ncnc3ccc(F)cc23)c1
Show InChI InChI=1S/C15H12FN3/c1-10-3-2-4-12(7-10)19-15-13-8-11(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
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n/an/a 1.35E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311855
PNG
(3-(6-fluoroquinazolin-4-ylamino)benzonitrile | CHE...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(c3)C#N)c2c1
Show InChI InChI=1S/C15H9FN4/c16-11-4-5-14-13(7-11)15(19-9-18-14)20-12-3-1-2-10(6-12)8-17/h1-7,9H,(H,18,19,20)
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n/an/a 1.37E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311878
PNG
(CHEMBL1080998 | N-(3-chlorophenyl)-6-methoxyquinaz...)
Show SMILES COc1ccc2ncnc(Nc3cccc(Cl)c3)c2c1
Show InChI InChI=1S/C15H12ClN3O/c1-20-12-5-6-14-13(8-12)15(18-9-17-14)19-11-4-2-3-10(16)7-11/h2-9H,1H3,(H,17,18,19)
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n/an/a 1.51E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311882
PNG
(6-bromo-N-(3-(trifluoromethyl)phenyl)quinazolin-4-...)
Show SMILES FC(F)(F)c1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C15H9BrF3N3/c16-10-4-5-13-12(7-10)14(21-8-20-13)22-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,20,21,22)
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n/an/a 1.72E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311885
PNG
(6-bromo-N-(3-fluorophenyl)quinazolin-4-amine | CHE...)
Show SMILES Fc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H9BrFN3/c15-9-4-5-13-12(6-9)14(18-8-17-13)19-11-3-1-2-10(16)7-11/h1-8H,(H,17,18,19)
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n/an/a 1.97E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Epidermal growth factor receptor


(Homo sapiens (Human))
BDBM4397
PNG
(4-Anilidoquinazoline deriv. 12a | 6-chloro-N-(3-ch...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C14H9Cl2N3/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H,(H,17,18,19)
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n/an/a 2.70E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of EGFR autophosphorylation in human A431 cells


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311852
PNG
(CHEMBL1079403 | N-(3-chloro-2-fluorophenyl)-6-fluo...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(Cl)c3F)c2c1
Show InChI InChI=1S/C14H8ClF2N3/c15-10-2-1-3-12(13(10)17)20-14-9-6-8(16)4-5-11(9)18-7-19-14/h1-7H,(H,18,19,20)
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n/an/a 3.72E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311874
PNG
(7-bromo-N-(3-bromophenyl)isoquinolin-1-amine | CHE...)
Show SMILES Brc1cccc(Nc2nccc3ccc(Br)cc23)c1
Show InChI InChI=1S/C15H10Br2N2/c16-11-2-1-3-13(8-11)19-15-14-9-12(17)5-4-10(14)6-7-18-15/h1-9H,(H,18,19)
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n/an/a 4.33E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311864
PNG
(4-(3-bromophenoxy)-6-chloroquinazoline | CHEMBL108...)
Show SMILES Clc1ccc2ncnc(Oc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H8BrClN2O/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
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n/an/a 6.57E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311853
PNG
(CHEMBL1076329 | N-(4-fluro-3-chlorophenyl)-6-fluor...)
Show SMILES Fc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1
Show InChI InChI=1S/C14H8ClF2N3/c15-11-6-9(2-3-12(11)17)20-14-10-5-8(16)1-4-13(10)18-7-19-14/h1-7H,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311856
PNG
(6-fluoro-N-(3-(trifluoromethyl)phenyl)quinazolin-4...)
Show SMILES Fc1ccc2ncnc(Nc3cccc(c3)C(F)(F)F)c2c1
Show InChI InChI=1S/C15H9F4N3/c16-10-4-5-13-12(7-10)14(21-8-20-13)22-11-3-1-2-9(6-11)15(17,18)19/h1-8H,(H,20,21,22)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311873
PNG
(6-chloro-N-phenylquinazolin-4-amine | CHEMBL108027...)
Show SMILES Clc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H10ClN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,(H,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311861
PNG
(6-bromo-4-(3-bromophenoxy)quinazoline | CHEMBL1079...)
Show SMILES Brc1cccc(Oc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H8Br2N2O/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311859
PNG
(6-fluoro-N-phenylquinazolin-4-amine | CHEMBL107631...)
Show SMILES Fc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H10FN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,(H,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311877
PNG
(4-(3-chlorophenylamino)quinazoline-6-carbonitrile ...)
Show SMILES Clc1cccc(Nc2ncnc3ccc(cc23)C#N)c1
Show InChI InChI=1S/C15H9ClN4/c16-11-2-1-3-12(7-11)20-15-13-6-10(8-17)4-5-14(13)18-9-19-15/h1-7,9H,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311881
PNG
(6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine | CH...)
Show SMILES COc1cccc(Nc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C15H12BrN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311888
PNG
(6-bromo-N-phenylquinazolin-4-amine | CHEMBL1076255)
Show SMILES Brc1ccc2ncnc(Nc3ccccc3)c2c1
Show InChI InChI=1S/C14H10BrN3/c15-10-6-7-13-12(8-10)14(17-9-16-13)18-11-4-2-1-3-5-11/h1-9H,(H,16,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311851
PNG
(CHEMBL1076349 | N-(3-chloro-5-fluorophenyl)-6-fluo...)
Show SMILES Fc1ccc2ncnc(Nc3cc(F)cc(Cl)c3)c2c1
Show InChI InChI=1S/C14H8ClF2N3/c15-8-3-10(17)5-11(4-8)20-14-12-6-9(16)1-2-13(12)18-7-19-14/h1-7H,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311868
PNG
(6-chloro-N-phenethylquinazolin-4-amine | CHEMBL108...)
Show SMILES Clc1ccc2ncnc(NCCc3ccccc3)c2c1
Show InChI InChI=1S/C16H14ClN3/c17-13-6-7-15-14(10-13)16(20-11-19-15)18-9-8-12-4-2-1-3-5-12/h1-7,10-11H,8-9H2,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311854
PNG
(6-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine | C...)
Show SMILES COc1cccc(Nc2ncnc3ccc(F)cc23)c1
Show InChI InChI=1S/C15H12FN3O/c1-20-12-4-2-3-11(8-12)19-15-13-7-10(16)5-6-14(13)17-9-18-15/h2-9H,1H3,(H,17,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311850
PNG
(CHEMBL1079404 | N-(4-chloro-2-fluorophenyl)-6-fluo...)
Show SMILES Fc1ccc2ncnc(Nc3ccc(Cl)cc3F)c2c1
Show InChI InChI=1S/C14H8ClF2N3/c15-8-1-3-13(11(17)5-8)20-14-10-6-9(16)2-4-12(10)18-7-19-14/h1-7H,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311862
PNG
(6-bromo-N-(3-bromophenyl)-N-methylquinazolin-4-ami...)
Show SMILES CN(c1cccc(Br)c1)c1ncnc2ccc(Br)cc12
Show InChI InChI=1S/C15H11Br2N3/c1-20(12-4-2-3-10(16)7-12)15-13-8-11(17)5-6-14(13)18-9-19-15/h2-9H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311860
PNG
(6-bromo-4-(3-bromophenylthio)quinazoline | CHEMBL1...)
Show SMILES Brc1cccc(Sc2ncnc3ccc(Br)cc23)c1
Show InChI InChI=1S/C14H8Br2N2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311865
PNG
(CHEMBL1076314 | N-(3-bromophenyl)-6-chloro-N-methy...)
Show SMILES CN(c1cccc(Br)c1)c1ncnc2ccc(Cl)cc12
Show InChI InChI=1S/C15H11BrClN3/c1-20(12-4-2-3-10(16)7-12)15-13-8-11(17)5-6-14(13)18-9-19-15/h2-9H,1H3
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311867
PNG
(6-chloro-N-(3-chlorophenethyl)quinazolin-4-amine |...)
Show SMILES Clc1cccc(CCNc2ncnc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C16H13Cl2N3/c17-12-3-1-2-11(8-12)6-7-19-16-14-9-13(18)4-5-15(14)20-10-21-16/h1-5,8-10H,6-7H2,(H,19,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311866
PNG
(6-chloro-N-(2-chlorophenethyl)quinazolin-4-amine |...)
Show SMILES Clc1ccc2ncnc(NCCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C16H13Cl2N3/c17-12-5-6-15-13(9-12)16(21-10-20-15)19-8-7-11-3-1-2-4-14(11)18/h1-6,9-10H,7-8H2,(H,19,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311863
PNG
(4-(3-bromophenylthio)-6-chloroquinazoline | CHEMBL...)
Show SMILES Clc1ccc2ncnc(Sc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C14H8BrClN2S/c15-9-2-1-3-11(6-9)19-14-12-7-10(16)4-5-13(12)17-8-18-14/h1-8H
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50097114
PNG
(6-chloro-N-(4-chlorophenethyl)quinazolin-4-amine |...)
Show SMILES Clc1ccc(CCNc2ncnc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C16H13Cl2N3/c17-12-3-1-11(2-4-12)7-8-19-16-14-9-13(18)5-6-15(14)20-10-21-16/h1-6,9-10H,7-8H2,(H,19,20,21)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311869
PNG
(6-chloro-N-(2-chlorobenzyl)quinazolin-4-amine | CH...)
Show SMILES Clc1ccc2ncnc(NCc3ccccc3Cl)c2c1
Show InChI InChI=1S/C15H11Cl2N3/c16-11-5-6-14-12(7-11)15(20-9-19-14)18-8-10-3-1-2-4-13(10)17/h1-7,9H,8H2,(H,18,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311871
PNG
(6-chloro-N-(4-chlorobenzyl)quinazolin-4-amine | CH...)
Show SMILES Clc1ccc(CNc2ncnc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C15H11Cl2N3/c16-11-3-1-10(2-4-11)8-18-15-13-7-12(17)5-6-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311872
PNG
(CHEMBL1080455 | N-benzyl-6-chloroquinazolin-4-amin...)
Show SMILES Clc1ccc2ncnc(NCc3ccccc3)c2c1
Show InChI InChI=1S/C15H12ClN3/c16-12-6-7-14-13(8-12)15(19-10-18-14)17-9-11-4-2-1-3-5-11/h1-8,10H,9H2,(H,17,18,19)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311870
PNG
(6-chloro-N-(3-chlorobenzyl)quinazolin-4-amine | CH...)
Show SMILES Clc1cccc(CNc2ncnc3ccc(Cl)cc23)c1
Show InChI InChI=1S/C15H11Cl2N3/c16-11-3-1-2-10(6-11)8-18-15-13-7-12(17)4-5-14(13)19-9-20-15/h1-7,9H,8H2,(H,18,19,20)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311875
PNG
(CHEMBL1080276 | N-(3-bromophenyl)-6-chloroquinolin...)
Show SMILES Clc1ccc2nccc(Nc3cccc(Br)c3)c2c1
Show InChI InChI=1S/C15H10BrClN2/c16-10-2-1-3-12(8-10)19-15-6-7-18-14-5-4-11(17)9-13(14)15/h1-9H,(H,18,19)
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n/an/a>3.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR5 expressed in HEK293 cells by calcium mobilization assay


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50311886
PNG
(CHEMBL1079950 | N-(3-ethylphenyl)-6-fluoroquinazol...)
Show SMILES CCc1cccc(Nc2ncnc3ccc(F)cc23)c1
Show InChI InChI=1S/C16H14FN3/c1-2-11-4-3-5-13(8-11)20-16-14-9-12(17)6-7-15(14)18-10-19-16/h3-10H,2H2,1H3,(H,18,19,20)
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n/an/an/an/a>1.00E+4n/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at rat mGluR5 receptor expressed in HEK293 cells assessed as potentiation of glutamate-induced response


Bioorg Med Chem Lett 19: 6623-6 (2009)


Article DOI: 10.1016/j.bmcl.2009.10.024
BindingDB Entry DOI: 10.7270/Q2TX3FHM
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%