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PubMed code 19931453

Compile data set for download or QSAR
Found 59 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))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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 30n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGluR5 in rat brain cortex

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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 38n/an/an/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human recombinant mGluR5 expressed in CHO cells

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305054
PNG
(CHEMBL594767 | rac-(2-butylpiperidin-1-yl)(5-chlor...)
Show SMILES CCCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H27ClN4O/c1-3-4-7-18-8-5-6-11-26(18)21(27)16-12-19(22)20(24-13-16)25-17-10-9-15(2)23-14-17/h9-10,12-14,18H,3-8,11H2,1-2H3,(H,24,25)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305053
PNG
(CHEMBL595703 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)
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n/an/a 16n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 32n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305049
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m0/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305048
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 40n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305046
PNG
(CHEMBL611050 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)
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n/an/a 48n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305046
PNG
(CHEMBL611050 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)
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n/an/a 65n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305048
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m1/s1
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n/an/a 69n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305044
PNG
((5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-y...)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)C(=O)N2CCCCC2)cn1
Show InChI InChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
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n/an/a 87n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305053
PNG
(CHEMBL595703 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-6-17-7-4-5-10-25(17)20(26)15-11-18(21)19(23-12-15)24-16-9-8-14(2)22-13-16/h8-9,11-13,17H,3-7,10H2,1-2H3,(H,23,24)
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305052
PNG
(CHEMBL594297 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)
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n/an/a 90n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305038
PNG
((5-chloro-6-(4-chlorophenylamino)pyridin-3-yl)(3-m...)
Show SMILES CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)c(Cl)c1
Show InChI InChI=1S/C18H19Cl2N3O/c1-12-3-2-8-23(11-12)18(24)13-9-16(20)17(21-10-13)22-15-6-4-14(19)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,21,22)
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n/an/a 95n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305045
PNG
(CHEMBL594295 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
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n/an/a 105n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305052
PNG
(CHEMBL594297 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305049
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-14-5-4-8-24(12-14)19(25)15-9-17(20)18(22-10-15)23-16-7-6-13(2)21-11-16/h6-7,9-11,14H,3-5,8,12H2,1-2H3,(H,22,23)/t14-/m0/s1
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n/an/a 110n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305054
PNG
(CHEMBL594767 | rac-(2-butylpiperidin-1-yl)(5-chlor...)
Show SMILES CCCCC1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C21H27ClN4O/c1-3-4-7-18-8-5-6-11-26(18)21(27)16-12-19(22)20(24-13-16)25-17-10-9-15(2)23-14-17/h9-10,12-14,18H,3-8,11H2,1-2H3,(H,24,25)
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n/an/a 136n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305047
PNG
(CHEMBL593848 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
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n/an/a 140n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305047
PNG
(CHEMBL593848 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CCCC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C20H25ClN4O/c1-3-5-15-6-4-9-25(13-15)20(26)16-10-18(21)19(23-11-16)24-17-8-7-14(2)22-12-17/h7-8,10-12,15H,3-6,9,13H2,1-2H3,(H,23,24)
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n/an/a 190n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305051
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES C[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305019
PNG
(CHEMBL594992 | azepan-1-yl(6-(4-chlorophenylamino)...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCC2)cc1
Show InChI InChI=1S/C18H20ClN3O/c19-15-6-8-16(9-7-15)21-17-10-5-14(13-20-17)18(23)22-11-3-1-2-4-12-22/h5-10,13H,1-4,11-12H2,(H,20,21)
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n/an/a 250n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305044
PNG
((5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-y...)
Show SMILES Cc1ccc(Nc2ncc(cc2Cl)C(=O)N2CCCCC2)cn1
Show InChI InChI=1S/C17H19ClN4O/c1-12-5-6-14(11-19-12)21-16-15(18)9-13(10-20-16)17(23)22-7-3-2-4-8-22/h5-6,9-11H,2-4,7-8H2,1H3,(H,20,21)
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n/an/a 258n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305017
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C17H18ClN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
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n/an/a 310n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305045
PNG
(CHEMBL594295 | rac-(5-chloro-6-(6-methylpyridin-3-...)
Show SMILES CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1
Show InChI InChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)18(24)14-8-16(19)17(21-9-14)22-15-6-5-13(2)20-10-15/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,21,22)
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n/an/a 310n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305055
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305055
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m0/s1
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n/an/a 360n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305036
PNG
((6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(piperi...)
Show SMILES Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cn1
Show InChI InChI=1S/C17H20N4O/c1-13-5-7-15(12-18-13)20-16-8-6-14(11-19-16)17(22)21-9-3-2-4-10-21/h5-8,11-12H,2-4,9-10H2,1H3,(H,19,20)
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n/an/a 420n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305022
PNG
(CHEMBL594081 | rac-(6-(4-chlorophenylamino)pyridin...)
Show SMILES CC1CCCCN1C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H20ClN3O/c1-13-4-2-3-11-22(13)18(23)14-5-10-17(20-12-14)21-16-8-6-15(19)7-9-16/h5-10,12-13H,2-4,11H2,1H3,(H,20,21)
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305051
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES C[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m1/s1
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n/an/a 430n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of quisqualate-induced intracellular inositol phosphate accumulation

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305021
PNG
(6-(4-chlorophenylamino)-N,N-diethylnicotinamide | ...)
Show SMILES CCN(CC)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C16H18ClN3O/c1-3-20(4-2)16(21)12-5-10-15(18-11-12)19-14-8-6-13(17)7-9-14/h5-11H,3-4H2,1-2H3,(H,18,19)
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n/an/a 460n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305023
PNG
(CHEMBL593141 | rac-(6-(4-chlorophenylamino)pyridin...)
Show SMILES CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H20ClN3O/c1-13-3-2-10-22(12-13)18(23)14-4-9-17(20-11-14)21-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3,(H,20,21)
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n/an/a 530n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305040
PNG
((6-(4-chlorophenylamino)pyridazin-3-yl)(3-methylpi...)
Show SMILES CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nn1
Show InChI InChI=1S/C17H19ClN4O/c1-12-3-2-10-22(11-12)17(23)15-8-9-16(21-20-15)19-14-6-4-13(18)5-7-14/h4-9,12H,2-3,10-11H2,1H3,(H,19,21)
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n/an/a 720n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305041
PNG
((2-(4-chlorophenylamino)pyrimidin-5-yl)(3-methylpi...)
Show SMILES CC1CCCN(C1)C(=O)c1cnc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C17H19ClN4O/c1-12-3-2-8-22(11-12)16(23)13-9-19-17(20-10-13)21-15-6-4-14(18)5-7-15/h4-7,9-10,12H,2-3,8,11H2,1H3,(H,19,20,21)
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n/an/a 980n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305050
PNG
((S)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES C[C@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C18H21ClN4O/c1-12-6-7-15(11-20-12)22-17-16(19)9-14(10-21-17)18(24)23-8-4-3-5-13(23)2/h6-7,9-11,13H,3-5,8H2,1-2H3,(H,21,22)/t13-/m0/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305037
PNG
((4-(4-chlorophenylamino)phenyl)(3-methylpiperidin-...)
Show SMILES CC1CCCN(C1)C(=O)c1ccc(Nc2ccc(Cl)cc2)cc1
Show InChI InChI=1S/C19H21ClN2O/c1-14-3-2-12-22(13-14)19(23)15-4-8-17(9-5-15)21-18-10-6-16(20)7-11-18/h4-11,14,21H,2-3,12-13H2,1H3
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n/an/a 1.60E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305032
PNG
((6-(4-methoxyphenylamino)pyridin-3-yl)(piperidin-1...)
Show SMILES COc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H21N3O2/c1-23-16-8-6-15(7-9-16)20-17-10-5-14(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305039
PNG
((6-(4-chlorophenylamino)-5-methoxypyridin-3-yl)(pi...)
Show SMILES COc1cc(cnc1Nc1ccc(Cl)cc1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H20ClN3O2/c1-24-16-11-13(18(23)22-9-3-2-4-10-22)12-20-17(16)21-15-7-5-14(19)6-8-15/h5-8,11-12H,2-4,9-10H2,1H3,(H,20,21)
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n/an/a 2.10E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305031
PNG
(CHEMBL607841 | piperidin-1-yl(6-(p-tolylamino)pyri...)
Show SMILES Cc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C18H21N3O/c1-14-5-8-16(9-6-14)20-17-10-7-15(13-19-17)18(22)21-11-3-2-4-12-21/h5-10,13H,2-4,11-12H2,1H3,(H,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305024
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(3-methylpipe...)
Show SMILES CC1CCN(CC1)C(=O)c1ccc(Nc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H20ClN3O/c1-13-8-10-22(11-9-13)18(23)14-2-7-17(20-12-14)21-16-5-3-15(19)4-6-16/h2-7,12-13H,8-11H2,1H3,(H,20,21)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305030
PNG
((6-(4-fluorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Fc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C17H18FN3O/c18-14-5-7-15(8-6-14)20-16-9-4-13(12-19-16)17(22)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305020
PNG
(CHEMBL596587 | azocan-1-yl(6-(4-chlorophenylamino)...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCCCC2)cc1
Show InChI InChI=1S/C19H22ClN3O/c20-16-7-9-17(10-8-16)22-18-11-6-15(14-21-18)19(24)23-12-4-2-1-3-5-13-23/h6-11,14H,1-5,12-13H2,(H,21,22)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305018
PNG
((6-(4-chlorophenylamino)pyridin-3-yl)(pyrrolidin-1...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCC2)cc1
Show InChI InChI=1S/C16H16ClN3O/c17-13-4-6-14(7-5-13)19-15-8-3-12(11-18-15)16(21)20-9-1-2-10-20/h3-8,11H,1-2,9-10H2,(H,18,19)
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n/an/a 5.40E+3n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305029
PNG
((6-(3-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)c1
Show InChI InChI=1S/C17H18ClN3O/c18-14-5-4-6-15(11-14)20-16-8-7-13(12-19-16)17(22)21-9-2-1-3-10-21/h4-8,11-12H,1-3,9-10H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 7


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human mGluR7

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human mGluR1

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305034
PNG
((6-(5-chloropyridin-2-ylamino)pyridin-3-yl)(piperi...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)nc1
Show InChI InChI=1S/C16H17ClN4O/c17-13-5-7-15(19-11-13)20-14-6-4-12(10-18-14)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,18,19,20)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305025
PNG
(6-(4-chlorophenylamino)-N-cyclohexylnicotinamide |...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)NC2CCCCC2)cc1
Show InChI InChI=1S/C18H20ClN3O/c19-14-7-9-16(10-8-14)21-17-11-6-13(12-20-17)18(23)22-15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,20,21)(H,22,23)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305027
PNG
((6-(cyclohexylamino)pyridin-3-yl)(piperidin-1-yl)m...)
Show SMILES O=C(N1CCCCC1)c1ccc(NC2CCCCC2)nc1
Show InChI InChI=1S/C17H25N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h9-10,13,15H,1-8,11-12H2,(H,18,19)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305035
PNG
((6-(6-methylpyridin-2-ylamino)pyridin-3-yl)(piperi...)
Show SMILES Cc1cccc(Nc2ccc(cn2)C(=O)N2CCCCC2)n1
Show InChI InChI=1S/C17H20N4O/c1-13-6-5-7-16(19-13)20-15-9-8-14(12-18-15)17(22)21-10-3-2-4-11-21/h5-9,12H,2-4,10-11H2,1H3,(H,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM50305056
PNG
((R)-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin...)
Show SMILES CC[C@@H]1CCCCN1C(=O)c1cnc(Nc2ccc(C)nc2)c(Cl)c1 |r|
Show InChI InChI=1S/C19H23ClN4O/c1-3-16-6-4-5-9-24(16)19(25)14-10-17(20)18(22-11-14)23-15-8-7-13(2)21-12-15/h7-8,10-12,16H,3-6,9H2,1-2H3,(H,22,23)/t16-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of human mGluR2

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305028
PNG
((6-(2-chlorophenylamino)pyridin-3-yl)(piperidin-1-...)
Show SMILES Clc1ccccc1Nc1ccc(cn1)C(=O)N1CCCCC1
Show InChI InChI=1S/C17H18ClN3O/c18-14-6-2-3-7-15(14)20-16-9-8-13(12-19-16)17(22)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305026
PNG
((6-(phenylamino)pyridin-3-yl)(piperidin-1-yl)metha...)
Show SMILES O=C(N1CCCCC1)c1ccc(Nc2ccccc2)nc1
Show InChI InChI=1S/C17H19N3O/c21-17(20-11-5-2-6-12-20)14-9-10-16(18-13-14)19-15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12H2,(H,18,19)
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n/an/a 1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305058
PNG
((6-(4-chlorophenoxy)pyridin-3-yl)(3-methylpiperidi...)
Show SMILES CC1CCCN(C1)C(=O)c1ccc(Oc2ccc(Cl)cc2)nc1
Show InChI InChI=1S/C18H19ClN2O2/c1-13-3-2-10-21(12-13)18(22)14-4-9-17(20-11-14)23-16-7-5-15(19)6-8-16/h4-9,11,13H,2-3,10,12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305033
PNG
((6-(3,4-dichlorophenylamino)pyridin-3-yl)(piperidi...)
Show SMILES Clc1ccc(Nc2ccc(cn2)C(=O)N2CCCCC2)cc1Cl
Show InChI InChI=1S/C17H17Cl2N3O/c18-14-6-5-13(10-15(14)19)21-16-7-4-12(11-20-16)17(23)22-8-2-1-3-9-22/h4-7,10-11H,1-3,8-9H2,(H,20,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305057
PNG
((6-((4-chlorophenyl)(methyl)amino)pyridin-3-yl)(pi...)
Show SMILES CN(c1ccc(Cl)cc1)c1ccc(cn1)C(=O)N1CCCCC1
Show InChI InChI=1S/C18H20ClN3O/c1-21(16-8-6-15(19)7-9-16)17-10-5-14(13-20-17)18(23)22-11-3-2-4-12-22/h5-10,13H,2-4,11-12H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305043
PNG
((3-(4-chlorophenylamino)-1H-pyrazol-5-yl)(3-methyl...)
Show SMILES CC1CCCN(C1)C(=O)c1cc(Nc2ccc(Cl)cc2)[nH]n1
Show InChI InChI=1S/C16H19ClN4O/c1-11-3-2-8-21(10-11)16(22)14-9-15(20-19-14)18-13-6-4-12(17)5-7-13/h4-7,9,11H,2-3,8,10H2,1H3,(H2,18,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))		BDBM50305042
PNG
((5-(4-chlorophenylamino)pyrazin-2-yl)(piperidin-1-...)
Show SMILES Clc1ccc(Nc2cnc(cn2)C(=O)N2CCCCC2)cc1
Show InChI InChI=1S/C16H17ClN4O/c17-12-4-6-13(7-5-12)20-15-11-18-14(10-19-15)16(22)21-8-2-1-3-9-21/h4-7,10-11H,1-3,8-9H2,(H,19,20)
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Institutes for Biomedical Research

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR5 assessed as inhibition of glutamate-induced elevation of intracellular calcium concentration

Bioorg Med Chem Lett 20: 184-8 (2010)


Article DOI: 10.1016/j.bmcl.2009.11.001
BindingDB Entry DOI: 10.7270/Q2QN66VN
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%