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Compile Data Set for Download or QSAR

Found 63 hits Enz. Inhib. hit(s) with all data for entry = 50017398   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50181745
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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0.25n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181745
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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0.370n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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0.710n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGluR5 in rat brain membranes


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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1.00n/an/an/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from cloned human mGluR5 transfected in HEK293-T cells


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181745
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzonitrile | CH...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C#N
Show InChI InChI=1S/C13H8N2S/c1-10-15-13(9-16-10)6-5-11-3-2-4-12(7-11)8-14/h2-4,7,9H,1H3
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n/an/a 0.940n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181753
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]-5-vinylpyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(C=C)c1
Show InChI InChI=1S/C13H10N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h3,6-9H,1H2,2H3
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n/an/a 2.01n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181778
PNG
(2-(4-fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethyny...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-16(11-21-12)8-2-13-3-9-17(19-10-13)14-4-6-15(18)7-5-14/h3-7,9-11H,1H3
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n/an/a 10.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181785
PNG
(3-ethynyl-5-[(2-methyl-4-thiazolyl)ethynyl]pyridin...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)C#C
Show InChI InChI=1S/C13H8N2S/c1-3-11-6-12(8-14-7-11)4-5-13-9-16-10(2)15-13/h1,6-9H,2H3
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n/an/a 19.2n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181748
PNG
(4-(2-(3-fluorophenyl)ethynyl)-2-methylthiazole | C...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C12H8FNS/c1-9-14-12(8-15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3
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n/an/a 23n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181759
PNG
(4-(3,5-difluorophenylethynyl)-2-methylthiazole | C...)
Show SMILES Cc1nc(cs1)C#Cc1cc(F)cc(F)c1
Show InChI InChI=1S/C12H7F2NS/c1-8-15-12(7-16-8)3-2-9-4-10(13)6-11(14)5-9/h4-7H,1H3
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n/an/a 25.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181749
PNG
(4-(2-methoxyphenylethynyl)-2-methylthiazole | CHEM...)
Show SMILES COc1ccccc1C#Cc1csc(C)n1
Show InChI InChI=1S/C13H11NOS/c1-10-14-12(9-16-10)8-7-11-5-3-4-6-13(11)15-2/h3-6,9H,1-2H3
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n/an/a 36.3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 39n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181742
PNG
(2-chloro-3-[(2-methyl-4-thiazolyl)ethynyl]pyridine...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1Cl
Show InChI InChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)5-4-9-3-2-6-13-11(9)12/h2-3,6-7H,1H3
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n/an/a 45.5n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181739
PNG
(4-(3-methoxyphenylethynyl)-2-methylthiazole | CHEM...)
Show SMILES COc1cccc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C13H11NOS/c1-10-14-12(9-16-10)7-6-11-4-3-5-13(8-11)15-2/h3-5,8-9H,1-2H3
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n/an/a 49n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181777
PNG
(3-bromo-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine ...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(Br)c1
Show InChI InChI=1S/C11H7BrN2S/c1-8-14-11(7-15-8)3-2-9-4-10(12)6-13-5-9/h4-7H,1H3
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n/an/a 60n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181746
PNG
(3-[5-[(2-methyl-4-thiazolyl)ethynyl]-3-pyridyl]-2-...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)C#CCO
Show InChI InChI=1S/C14H10N2OS/c1-11-16-14(10-18-11)5-4-13-7-12(3-2-6-17)8-15-9-13/h7-10,17H,6H2,1H3
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n/an/a 68.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181770
PNG
(4-(3-fluorophenylethynyl)-2-thiazolylamine | CHEMB...)
Show SMILES Nc1nc(cs1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C11H7FN2S/c12-9-3-1-2-8(6-9)4-5-10-7-15-11(13)14-10/h1-3,6-7H,(H2,13,14)
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n/an/a 78.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50149802
PNG
(2-Methyl-4-m-tolylethynyl-thiazole | 2-methyl-4-(m...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(C)c1
Show InChI InChI=1S/C13H11NS/c1-10-4-3-5-12(8-10)6-7-13-9-15-11(2)14-13/h3-5,8-9H,1-2H3
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n/an/a 82.6n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181779
PNG
(4-(3-chlorophenylethynyl)-2-methylthiazole | CHEMB...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C12H8ClNS/c1-9-14-12(8-15-9)6-5-10-3-2-4-11(13)7-10/h2-4,7-8H,1H3
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n/an/a 129n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181780
PNG
(4-(2-fluorophenylethynyl)-2-methylthiazole | CHEMB...)
Show SMILES Cc1nc(cs1)C#Cc1ccccc1F
Show InChI InChI=1S/C12H8FNS/c1-9-14-11(8-15-9)7-6-10-4-2-3-5-12(10)13/h2-5,8H,1H3
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n/an/a 140n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181789
PNG
(3-(4-fluorophenyl)-5-[(2-methyl-4-thiazolyl)ethyny...)
Show SMILES Cc1nc(cs1)C#Cc1cncc(c1)-c1ccc(F)cc1
Show InChI InChI=1S/C17H11FN2S/c1-12-20-17(11-21-12)7-2-13-8-15(10-19-9-13)14-3-5-16(18)6-4-14/h3-6,8-11H,1H3
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n/an/a 162n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181760
PNG
(2-ethynyl-3-[(2-methyl-4-thiazolyl)ethynyl]pyridin...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1C#C
Show InChI InChI=1S/C13H8N2S/c1-3-13-11(5-4-8-14-13)6-7-12-9-16-10(2)15-12/h1,4-5,8-9H,2H3
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n/an/a 192n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181738
PNG
(3-(4-methoxyphenyl)-5-[(2-methyl-4-thiazolyl)ethyn...)
Show SMILES COc1ccc(cc1)-c1cncc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C18H14N2OS/c1-13-20-17(12-22-13)6-3-14-9-16(11-19-10-14)15-4-7-18(21-2)8-5-15/h4-5,7-12H,1-2H3
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n/an/a 225n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181740
PNG
(2-methoxy-3-[(2-methyl-4-thiazolyl)ethynyl]pyridin...)
Show SMILES COc1ncccc1C#Cc1csc(C)n1
Show InChI InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)6-5-10-4-3-7-13-12(10)15-2/h3-4,7-8H,1-2H3
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n/an/a 228n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181771
PNG
(2-methyl-4-[[3-(trifluoromethoxy)phenyl]ethynyl]th...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(OC(F)(F)F)c1
Show InChI InChI=1S/C13H8F3NOS/c1-9-17-11(8-19-9)6-5-10-3-2-4-12(7-10)18-13(14,15)16/h2-4,7-8H,1H3
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n/an/a 266n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181788
PNG
(2-methyl-4-(3-thienylethynyl)thiazole | CHEMBL2026...)
Show SMILES Cc1nc(cs1)C#Cc1ccsc1
Show InChI InChI=1S/C10H7NS2/c1-8-11-10(7-13-8)3-2-9-4-5-12-6-9/h4-7H,1H3
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n/an/a 337n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181754
PNG
(2-methyl-4-[[3-(trifluoromethyl)phenyl]ethynyl]thi...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C13H8F3NS/c1-9-17-12(8-18-9)6-5-10-3-2-4-11(7-10)13(14,15)16/h2-4,7-8H,1H3
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n/an/a 413n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181755
PNG
(2-methoxy-5-(2-(2-methylthiazol-4-yl)ethynyl)pyrid...)
Show SMILES COc1ccc(cn1)C#Cc1csc(C)n1
Show InChI InChI=1S/C12H10N2OS/c1-9-14-11(8-16-9)5-3-10-4-6-12(15-2)13-7-10/h4,6-8H,1-2H3
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n/an/a 426n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50122758
PNG
(2-methyl-4-(pyridin-3-ylethynyl)thiazole | 3-(2-(2...)
Show SMILES Cc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C11H8N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-3,6-8H,1H3
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n/an/a 462n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181768
PNG
(2-methyl-4-(2-thienylethynyl)thiazole | CHEMBL2023...)
Show SMILES Cc1nc(cs1)C#Cc1cccs1
Show InChI InChI=1S/C10H7NS2/c1-8-11-9(7-13-8)4-5-10-3-2-6-12-10/h2-3,6-7H,1H3
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n/an/a 475n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181781
PNG
(2-bromo-4-(3-fluorophenylethynyl)thiazole | CHEMBL...)
Show SMILES Fc1cccc(c1)C#Cc1csc(Br)n1
Show InChI InChI=1S/C11H5BrFNS/c12-11-14-10(7-15-11)5-4-8-2-1-3-9(13)6-8/h1-3,6-7H
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n/an/a 526n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181784
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]phenol | CHEMBL20...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(O)c1
Show InChI InChI=1S/C12H9NOS/c1-9-13-11(8-15-9)6-5-10-3-2-4-12(14)7-10/h2-4,7-8,14H,1H3
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n/an/a 654n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181787
PNG
(3-[(2,5-dimethyl-4-thiazolyl)ethynyl]pyridine | CH...)
Show SMILES Cc1nc(C#Cc2cccnc2)c(C)s1
Show InChI InChI=1S/C12H10N2S/c1-9-12(14-10(2)15-9)6-5-11-4-3-7-13-8-11/h3-4,7-8H,1-2H3
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n/an/a 698n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181757
PNG
(4-(3-pyridylethynyl)-2-thiazolylamine | CHEMBL3810...)
Show SMILES Nc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C10H7N3S/c11-10-13-9(7-14-10)4-3-8-2-1-5-12-6-8/h1-2,5-7H,(H2,11,13)
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n/an/a 789n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181750
PNG
(2-fluoro-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(F)nc1
Show InChI InChI=1S/C11H7FN2S/c1-8-14-10(7-15-8)4-2-9-3-5-11(12)13-6-9/h3,5-7H,1H3
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n/an/a 833n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181772
PNG
(5-[(2-methyl-4-thiazolyl)ethynyl]pyrimidine | CHEM...)
Show SMILES Cc1nc(cs1)C#Cc1cncnc1
Show InChI InChI=1S/C10H7N3S/c1-8-13-10(6-14-8)3-2-9-4-11-7-12-5-9/h4-7H,1H3
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n/an/a 946n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181774
PNG
(3-[(2-methyl-4-thiazolyl)ethynyl]benzamide | CHEMB...)
Show SMILES Cc1nc(cs1)C#Cc1cccc(c1)C(N)=O
Show InChI InChI=1S/C13H10N2OS/c1-9-15-12(8-17-9)6-5-10-3-2-4-11(7-10)13(14)16/h2-4,7-8H,1H3,(H2,14,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181769
PNG
(5-fluoro-2-[(2-methyl-4-thiazolyl)ethynyl]pyridine...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(F)cn1
Show InChI InChI=1S/C11H7FN2S/c1-8-14-11(7-15-8)5-4-10-3-2-9(12)6-13-10/h2-3,6-7H,1H3
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n/an/a 1.09E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181786
PNG
(3-[(5-ethyl-2-methyl-4-thiazolyl)ethynyl]pyridine ...)
Show SMILES CCc1sc(C)nc1C#Cc1cccnc1
Show InChI InChI=1S/C13H12N2S/c1-3-13-12(15-10(2)16-13)7-6-11-5-4-8-14-9-11/h4-5,8-9H,3H2,1-2H3
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n/an/a 1.24E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181736
PNG
(2-[(2-methyl-4-thiazolyl)ethynyl]pyrazine | CHEMBL...)
Show SMILES Cc1nc(cs1)C#Cc1cnccn1
Show InChI InChI=1S/C10H7N3S/c1-8-13-10(7-14-8)3-2-9-6-11-4-5-12-9/h4-7H,1H3
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n/an/a 1.83E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181776
PNG
(CHEMBL381482 | N-[4-(3-pyridylethynyl)-2-thiazolyl...)
Show SMILES CC(=O)Nc1nc(cs1)C#Cc1cccnc1
Show InChI InChI=1S/C12H9N3OS/c1-9(16)14-12-15-11(8-17-12)5-4-10-3-2-6-13-7-10/h2-3,6-8H,1H3,(H,14,15,16)
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n/an/a 1.92E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181767
PNG
(CHEMBL202051 | N-[3-[(2-methyl-4-thiazolyl)ethynyl...)
Show SMILES CC(=O)Nc1cccc(c1)C#Cc1csc(C)n1
Show InChI InChI=1S/C14H12N2OS/c1-10(17)15-13-5-3-4-12(8-13)6-7-14-9-18-11(2)16-14/h3-5,8-9H,1-2H3,(H,15,17)
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n/an/a 2.02E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181741
PNG
(CHEMBL201774 | methanesulfonic acid 5-[(2-methyl-4...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(OS(C)(=O)=O)nc1
Show InChI InChI=1S/C12H10N2O3S2/c1-9-14-11(8-18-9)5-3-10-4-6-12(13-7-10)17-19(2,15)16/h4,6-8H,1-2H3
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n/an/a 2.34E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181773
PNG
(2-ethynyl-4-(3-fluorophenylethynyl)thiazole | CHEM...)
Show SMILES Fc1cccc(c1)C#Cc1csc(n1)C#C
Show InChI InChI=1S/C13H6FNS/c1-2-13-15-12(9-16-13)7-6-10-4-3-5-11(14)8-10/h1,3-5,8-9H
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n/an/a 2.92E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181766
PNG
(3-ethynyl-5-[(2-methyl-4-thiazolyl)ethynyl]pyridin...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(nc1)C#C
Show InChI InChI=1S/C13H8N2S/c1-3-12-6-4-11(8-14-12)5-7-13-9-16-10(2)15-13/h1,4,6,8-9H,2H3
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n/an/a 2.95E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181765
PNG
(4-(2-(4-fluorophenyl)ethynyl)-2-methylthiazole | C...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(F)cc1
Show InChI InChI=1S/C12H8FNS/c1-9-14-12(8-15-9)7-4-10-2-5-11(13)6-3-10/h2-3,5-6,8H,1H3
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n/an/a 2.97E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181762
PNG
((E)-3-[2-(2-methyl-4-thiazolyl)vinyl]pyridine | CH...)
Show SMILES Cc1nc(\C=C\c2cccnc2)cs1
Show InChI InChI=1S/C11H10N2S/c1-9-13-11(8-14-9)5-4-10-3-2-6-12-7-10/h2-8H,1H3/b5-4+
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Article
PubMed
n/an/a 3.09E+3n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181737
PNG
(CHEMBL202041 | N-[4-(3-pyridylethynyl)-2-thiazolyl...)
Show SMILES C(Nc1nc(cs1)C#Cc1cccnc1)c1ccccc1
Show InChI InChI=1S/C17H13N3S/c1-2-5-14(6-3-1)12-19-17-20-16(13-21-17)9-8-15-7-4-10-18-11-15/h1-7,10-11,13H,12H2,(H,19,20)
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181763
PNG
(2-chloro-5-[(2-methyl-4-thiazolyl)ethynyl]pyridine...)
Show SMILES Cc1nc(cs1)C#Cc1ccc(Cl)nc1
Show InChI InChI=1S/C11H7ClN2S/c1-8-14-10(7-15-8)4-2-9-3-5-11(12)13-6-9/h3,5-7H,1H3
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Article
PubMed
n/an/a>1.00E+4n/an/an/an/an/an/a



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181761
PNG
(6-[(2-methyl-4-thiazolyl)ethynyl]quinoxaline | CHE...)
Show SMILES Cc1nc(cs1)C#Cc1ccc2nccnc2c1
Show InChI InChI=1S/C14H9N3S/c1-10-17-12(9-18-10)4-2-11-3-5-13-14(8-11)16-7-6-15-13/h3,5-9H,1H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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



University of Illinois at Chicago

Curated by ChEMBL


Assay Description
Activity in agonist-induced phosphoinositide hydrolysis in CHO cells expressing mGluR5a


J Med Chem 49: 1080-100 (2006)


Article DOI: 10.1021/jm050570f
BindingDB Entry DOI: 10.7270/Q27S7NC5
More data for this
Ligand-Target Pair
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