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PubMed code 20598884

Compile data set for download or QSAR
Found 48 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))
BDBM50323286
PNG
(3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)
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100n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323308
PNG
(3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
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102n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
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157n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323289
PNG
(CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
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206n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxy-PEPy from rat mGlu5 receptor expressed in HEK293A cells after 60 mins by scintillation counting


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323289
PNG
(CHEMBL1209202 | N-(3-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
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n/an/a 45n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323308
PNG
(3-cyano-5-fluoro-N-(4-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C12H8FN3OS/c1-7-6-18-12(15-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
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n/an/a 59n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50258619
PNG
(3-Cyano-5-fluoro-N-(6-methylpyridin-2-yl)-benzamid...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-13(17-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(H,17,18,19)
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n/an/a 65n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323286
PNG
(3-cyano-5-fluoro-N-m-tolylbenzamide | CHEMBL120920...)
Show SMILES Cc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O/c1-10-3-2-4-14(5-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(H,18,19)
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n/an/a 122n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323304
PNG
(CHEMBL1209327 | N-(6-chloropyridin-2-yl)-3-cyano-5...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)n1)C#N
Show InChI InChI=1S/C13H7ClFN3O/c14-11-2-1-3-12(17-11)18-13(19)9-4-8(7-16)5-10(15)6-9/h1-6H,(H,17,18,19)
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n/an/a 250n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323279
PNG
(3-cyano-N-(3-ethynylphenyl)-5-fluorobenzamide | CH...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#C)C#N
Show InChI InChI=1S/C16H9FN2O/c1-2-11-4-3-5-15(8-11)19-16(20)13-6-12(10-18)7-14(17)9-13/h1,3-9H,(H,19,20)
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n/an/a 331n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323275
PNG
(CHEMBL1209618 | N-(3-chloro-2-fluorophenyl)-3-cyan...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(Cl)c1F)C#N
Show InChI InChI=1S/C14H7ClF2N2O/c15-11-2-1-3-12(13(11)17)19-14(20)9-4-8(7-18)5-10(16)6-9/h1-6H,(H,19,20)
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n/an/a 347n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323274
PNG
(CHEMBL1209619 | N-(3-chloro-4-fluorophenyl)-3-cyan...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(F)c(Cl)c1)C#N
Show InChI InChI=1S/C14H7ClF2N2O/c15-12-6-11(1-2-13(12)17)19-14(20)9-3-8(7-18)4-10(16)5-9/h1-6H,(H,19,20)
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n/an/a 377n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323280
PNG
(3-cyano-N-(3-cyanophenyl)-5-fluorobenzamide | CHEM...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C#N)C#N
Show InChI InChI=1S/C15H8FN3O/c16-13-5-11(9-18)4-12(7-13)15(20)19-14-3-1-2-10(6-14)8-17/h1-7H,(H,19,20)
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n/an/a 489n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323301
PNG
(3-cyano-N-(6-ethylpyridin-2-yl)-5-fluorobenzamide ...)
Show SMILES CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C15H12FN3O/c1-2-13-4-3-5-14(18-13)19-15(20)11-6-10(9-17)7-12(16)8-11/h3-8H,2H2,1H3,(H,18,19,20)
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n/an/a 505n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323281
PNG
(3-cyano-5-fluoro-N-(3-(trifluoromethyl)phenyl)benz...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(c1)C(F)(F)F)C#N
Show InChI InChI=1S/C15H8F4N2O/c16-12-5-9(8-20)4-10(6-12)14(22)21-13-3-1-2-11(7-13)15(17,18)19/h1-7H,(H,21,22)
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n/an/a 543n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323299
PNG
(3-cyano-N-(4,5-dimethylthiazol-2-yl)-5-fluorobenza...)
Show SMILES Cc1nc(NC(=O)c2cc(F)cc(c2)C#N)sc1C
Show InChI InChI=1S/C13H10FN3OS/c1-7-8(2)19-13(16-7)17-12(18)10-3-9(6-15)4-11(14)5-10/h3-5H,1-2H3,(H,16,17,18)
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n/an/a 594n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323300
PNG
(3-cyano-5-fluoro-N-(5-methylthiazol-2-yl)benzamide...)
Show SMILES Cc1cnc(NC(=O)c2cc(F)cc(c2)C#N)s1
Show InChI InChI=1S/C12H8FN3OS/c1-7-6-15-12(18-7)16-11(17)9-2-8(5-14)3-10(13)4-9/h2-4,6H,1H3,(H,15,16,17)
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n/an/a 863n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323298
PNG
(3-cyano-N-(4-cyclopropylthiazol-2-yl)-5-fluorobenz...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1nc(cs1)C1CC1)C#N
Show InChI InChI=1S/C14H10FN3OS/c15-11-4-8(6-16)3-10(5-11)13(19)18-14-17-12(7-20-14)9-1-2-9/h3-5,7,9H,1-2H2,(H,17,18,19)
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n/an/a 900n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323302
PNG
(3-cyano-5-fluoro-N-(6-methoxypyridin-2-yl)benzamid...)
Show SMILES COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C14H10FN3O2/c1-20-13-4-2-3-12(17-13)18-14(19)10-5-9(8-16)6-11(15)7-10/h2-7H,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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323315
PNG
(CHEMBL1209620 | N-(3-chloro-5-fluorophenyl)-3-cyan...)
Show SMILES Fc1cc(Cl)cc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C14H7ClF2N2O/c15-10-4-12(17)6-13(5-10)19-14(20)9-1-8(7-18)2-11(16)3-9/h1-6H,(H,19,20)
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n/an/a 1.83E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323292
PNG
(3-cyano-5-fluoro-N-(3-fluorophenyl)benzamide | CHE...)
Show SMILES Fc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C14H8F2N2O/c15-11-2-1-3-13(7-11)18-14(19)10-4-9(8-17)5-12(16)6-10/h1-7H,(H,18,19)
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n/an/a 2.16E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323314
PNG
(3-cyano-5-fluoro-N-(pyridin-2-yl)benzamide | CHEMB...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccccn1)C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-6-9(8-15)5-10(7-11)13(18)17-12-3-1-2-4-16-12/h1-7H,(H,16,17,18)
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n/an/a 3.01E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323316
PNG
(CHEMBL1209621 | N-(5-chloro-2-fluorophenyl)-3-cyan...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cc(Cl)ccc1F)C#N
Show InChI InChI=1S/C14H7ClF2N2O/c15-10-1-2-12(17)13(6-10)19-14(20)9-3-8(7-18)4-11(16)5-9/h1-6H,(H,19,20)
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n/an/a 3.78E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323278
PNG
(3-cyano-N-(3-ethylphenyl)-5-fluorobenzamide | CHEM...)
Show SMILES CCc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C16H13FN2O/c1-2-11-4-3-5-15(8-11)19-16(20)13-6-12(10-18)7-14(17)9-13/h3-9H,2H2,1H3,(H,19,20)
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n/an/a 4.94E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323294
PNG
(3-cyano-5-fluoro-N-phenylbenzamide | CHEMBL1209392)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccccc1)C#N
Show InChI InChI=1S/C14H9FN2O/c15-12-7-10(9-16)6-11(8-12)14(18)17-13-4-2-1-3-5-13/h1-8H,(H,17,18)
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n/an/a 5.44E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323310
PNG
(3-cyano-5-fluoro-N-(1-methyl-1H-pyrazol-3-yl)benza...)
Show SMILES Cn1ccc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C12H9FN4O/c1-17-3-2-11(16-17)15-12(18)9-4-8(7-14)5-10(13)6-9/h2-6H,1H3,(H,15,16,18)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323295
PNG
(CHEMBL1209391)
Show SMILES Fc1cc(cc(c1)C(=O)NC1C2CC3CC(C2)CC1C3)C#N |TLB:9:10:12:16.14.15,THB:14:13:10:16.15.17,14:15:12.13.19:10,17:15:12:19.18.10,17:18:12:16.14.15,(14.33,-18.54,;14.33,-17,;15.67,-16.23,;15.67,-14.68,;14.33,-13.91,;13,-14.68,;13,-16.23,;11.67,-13.91,;11.67,-12.37,;10.33,-14.69,;9,-13.92,;8.98,-12.43,;10.16,-11.14,;8.67,-11.58,;7.26,-11.02,;6.25,-12.31,;7.65,-11.95,;6.26,-13.84,;7.66,-14.41,;8.69,-13.17,;17,-13.9,;18.32,-13.13,)|
Show InChI InChI=1S/C18H19FN2O/c19-16-7-12(9-20)6-15(8-16)18(22)21-17-13-2-10-1-11(4-13)5-14(17)3-10/h6-8,10-11,13-14,17H,1-5H2,(H,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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323311
PNG
(3-cyano-5-fluoro-N-(thiazol-2-yl)benzamide | CHEMB...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1nccs1)C#N
Show InChI InChI=1S/C11H6FN3OS/c12-9-4-7(6-13)3-8(5-9)10(16)15-11-14-1-2-17-11/h1-5H,(H,14,15,16)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323291
PNG
(3-cyano-5-fluoro-N-(4-fluorophenyl)benzamide | CHE...)
Show SMILES Fc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
Show InChI InChI=1S/C14H8F2N2O/c15-11-1-3-13(4-2-11)18-14(19)10-5-9(8-17)6-12(16)7-10/h1-7H,(H,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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323297
PNG
(CHEMBL1209389 | N-(4-tert-butylthiazol-2-yl)-3-cya...)
Show SMILES CC(C)(C)c1csc(NC(=O)c2cc(F)cc(c2)C#N)n1
Show InChI InChI=1S/C15H14FN3OS/c1-15(2,3)12-8-21-14(18-12)19-13(20)10-4-9(7-17)5-11(16)6-10/h4-6,8H,1-3H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323303
PNG
(3-cyano-5-fluoro-N-(6-(trifluoromethyl)pyridin-2-y...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccc(n1)C(F)(F)F)C#N
Show InChI InChI=1S/C14H7F4N3O/c15-10-5-8(7-19)4-9(6-10)13(22)21-12-3-1-2-11(20-12)14(16,17)18/h1-6H,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323306
PNG
(3-cyano-5-fluoro-N-(4-methylpyridin-2-yl)benzamide...)
Show SMILES Cc1ccnc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C14H10FN3O/c1-9-2-3-17-13(4-9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323283
PNG
(3-cyano-5-fluoro-N-(3-methoxyphenyl)benzamide | CH...)
Show SMILES COc1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O2/c1-20-14-4-2-3-13(8-14)18-15(19)11-5-10(9-17)6-12(16)7-11/h2-8H,1H3,(H,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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323277
PNG
(CHEMBL1209551 | N-(3-tert-butylphenyl)-3-cyano-5-f...)
Show SMILES CC(C)(C)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C18H17FN2O/c1-18(2,3)14-5-4-6-16(10-14)21-17(22)13-7-12(11-20)8-15(19)9-13/h4-10H,1-3H3,(H,21,22)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323307
PNG
(3-cyano-5-fluoro-N-(3-methylpyridin-2-yl)benzamide...)
Show SMILES Cc1cccnc1NC(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C14H10FN3O/c1-9-3-2-4-17-13(9)18-14(19)11-5-10(8-16)6-12(15)7-11/h2-7H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323293
PNG
(3-cyano-5-fluoro-N-(2-fluorophenyl)benzamide | CHE...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccccc1F)C#N
Show InChI InChI=1S/C14H8F2N2O/c15-11-6-9(8-17)5-10(7-11)14(19)18-13-4-2-1-3-12(13)16/h1-7H,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323287
PNG
(3-cyano-5-fluoro-N-o-tolylbenzamide | CHEMBL120946...)
Show SMILES Cc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H11FN2O/c1-10-4-2-3-5-14(10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323285
PNG
(3-cyano-5-fluoro-N-p-tolylbenzamide | CHEMBL120946...)
Show SMILES Cc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
Show InChI InChI=1S/C15H11FN2O/c1-10-2-4-14(5-3-10)18-15(19)12-6-11(9-17)7-13(16)8-12/h2-8H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323309
PNG
(3-cyano-5-fluoro-N-(isoxazol-3-yl)benzamide | CHEM...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccon1)C#N
Show InChI InChI=1S/C11H6FN3O2/c12-9-4-7(6-13)3-8(5-9)11(16)14-10-1-2-17-15-10/h1-5H,(H,14,15,16)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323312
PNG
(3-cyano-5-fluoro-N-(pyridin-4-yl)benzamide | CHEMB...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccncc1)C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-6-9(8-15)5-10(7-11)13(18)17-12-1-3-16-4-2-12/h1-7H,(H,16,17,18)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323276
PNG
(3-cyano-5-fluoro-N-(3-(methylsulfonyl)phenyl)benza...)
Show SMILES CS(=O)(=O)c1cccc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H11FN2O3S/c1-22(20,21)14-4-2-3-13(8-14)18-15(19)11-5-10(9-17)6-12(16)7-11/h2-8H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323290
PNG
(CHEMBL1209465 | N-(2-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccccc1Cl)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-12-3-1-2-4-13(12)18-14(19)10-5-9(8-17)6-11(16)7-10/h1-7H,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323288
PNG
(CHEMBL1209466 | N-(4-chlorophenyl)-3-cyano-5-fluor...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1ccc(Cl)cc1)C#N
Show InChI InChI=1S/C14H8ClFN2O/c15-11-1-3-13(4-2-11)18-14(19)10-5-9(8-17)6-12(16)7-10/h1-7H,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323296
PNG
(CHEMBL1209390)
Show SMILES Fc1cc(cc(c1)C(=O)NC1CCCCC1)C#N
Show InChI InChI=1S/C14H15FN2O/c15-12-7-10(9-16)6-11(8-12)14(18)17-13-4-2-1-3-5-13/h6-8,13H,1-5H2,(H,17,18)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323284
PNG
(3-cyano-5-fluoro-N-(2-methoxyphenyl)benzamide | CH...)
Show SMILES COc1ccccc1NC(=O)c1cc(F)cc(c1)C#N
Show InChI InChI=1S/C15H11FN2O2/c1-20-14-5-3-2-4-13(14)18-15(19)11-6-10(9-17)7-12(16)8-11/h2-8H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323313
PNG
(3-cyano-5-fluoro-N-(pyridin-3-yl)benzamide | CHEMB...)
Show SMILES Fc1cc(cc(c1)C(=O)Nc1cccnc1)C#N
Show InChI InChI=1S/C13H8FN3O/c14-11-5-9(7-15)4-10(6-11)13(18)17-12-2-1-3-16-8-12/h1-6,8H,(H,17,18)
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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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323305
PNG
(3-cyano-N-(4,6-dimethylpyridin-2-yl)-5-fluorobenza...)
Show SMILES Cc1cc(C)nc(NC(=O)c2cc(F)cc(c2)C#N)c1
Show InChI InChI=1S/C15H12FN3O/c1-9-3-10(2)18-14(4-9)19-15(20)12-5-11(8-17)6-13(16)7-12/h3-7H,1-2H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50323282
PNG
(3-cyano-5-fluoro-N-(4-methoxyphenyl)benzamide | CH...)
Show SMILES COc1ccc(NC(=O)c2cc(F)cc(c2)C#N)cc1
Show InChI InChI=1S/C15H11FN2O2/c1-20-14-4-2-13(3-5-14)18-15(19)11-6-10(9-17)7-12(16)8-11/h2-8H,1H3,(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 mGlu5 receptor expressed in HEK293A cells assessed as inhibition of glutamate-induced calcium mobilization


Bioorg Med Chem Lett 20: 4390-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.06.064
BindingDB Entry DOI: 10.7270/Q2V9888D
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%