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Compile Data Set for Download or QSAR

Found 41 hits Enz. Inhib. hit(s) with all data for entry = 50041816   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM86716
PNG
(CAS_63540-28-3 | CHEMBL239800 | Fenobam | NSC_2162...)
Show SMILES Cn1cc(O)nc1NC(=O)Nc1cccc(Cl)c1
Show InChI InChI=1S/C11H11ClN4O2/c1-16-6-9(17)14-10(16)15-11(18)13-8-4-2-3-7(12)5-8/h2-6,17H,1H3,(H2,13,14,15,18)
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6.76n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
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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36.3n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416269
PNG
(CHEMBL1082329)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H15BrClN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2
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49.0n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416264
PNG
(CHEMBL1082987)
Show SMILES Clc1cccc(c1)-n1nnc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C17H20ClN5O/c18-13-7-4-8-14(11-13)23-20-16(19-21-23)15-9-1-2-10-22(15)17(24)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m1/s1
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57.5n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416276
PNG
(CHEMBL1082975)
Show SMILES Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCC1
Show InChI InChI=1S/C18H23N5O/c1-13-6-4-9-15(12-13)23-20-17(19-21-23)16-10-2-3-11-22(16)18(24)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
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72.4n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416263
PNG
(CHEMBL1086591)
Show SMILES Clc1cccc(c1)-n1nnc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C17H20ClN5O/c18-13-7-4-8-14(11-13)23-20-16(19-21-23)15-9-1-2-10-22(15)17(24)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
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77.6n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416265
PNG
(CHEMBL1083340)
Show SMILES Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2S2/c1-10-5-6-14(25-10)17(22)21-9-24-8-13(21)16-19-15(20-23-16)11-3-2-4-12(18)7-11/h2-7,13H,8-9H2,1H3
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83.2n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416270
PNG
(CHEMBL1082976)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
Show InChI InChI=1S/C18H22ClN5O/c19-14-8-5-9-15(12-14)24-21-17(20-22-24)16-10-3-4-11-23(16)18(25)13-6-1-2-7-13/h5,8-9,12-13,16H,1-4,6-7,10-11H2
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87.1n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416260
PNG
(CHEMBL1083598)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN5OS/c1-11-7-8-15(25-11)17(24)22-9-3-6-14(22)16-19-21-23(20-16)13-5-2-4-12(18)10-13/h2,4-5,7-8,10,14H,3,6,9H2,1H3
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89.1n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416271
PNG
(CHEMBL1084474)
Show SMILES Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
Show InChI InChI=1S/C19H25N5O/c1-14-7-6-10-16(13-14)24-21-18(20-22-24)17-11-4-5-12-23(17)19(25)15-8-2-3-9-15/h6-7,10,13,15,17H,2-5,8-9,11-12H2,1H3
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102n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416272
PNG
(CHEMBL1084475)
Show SMILES Cc1ccc(o1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN5O2/c1-11-7-8-15(25-11)17(24)22-9-3-6-14(22)16-19-21-23(20-16)13-5-2-4-12(18)10-13/h2,4-5,7-8,10,14H,3,6,9H2,1H3
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105n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416275
PNG
(CHEMBL1083341)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O2S/c1-11-7-8-15(25-11)18(23)22-9-3-6-14(22)17-20-16(21-24-17)12-4-2-5-13(19)10-12/h2,4-5,7-8,10,14H,3,6,9H2,1H3
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123n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416279
PNG
(CHEMBL1084476)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccco1
Show InChI InChI=1S/C17H16ClN5O2/c18-12-5-3-6-13(11-12)23-20-16(19-21-23)14-7-1-2-9-22(14)17(24)15-8-4-10-25-15/h3-6,8,10-11,14H,1-2,7,9H2
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126n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50342430
PNG
((R)-cyclobutyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3/t16-/m1/s1
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126n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416273
PNG
(CHEMBL1084477)
Show SMILES CC(C)C(=O)N1CCCCC1c1nnn(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C16H20ClN5O/c1-11(2)16(23)21-9-4-3-8-14(21)15-18-20-22(19-15)13-7-5-6-12(17)10-13/h5-7,10-11,14H,3-4,8-9H2,1-2H3
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138n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416266
PNG
(CHEMBL1082722)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O2S/c1-12-5-3-6-14(11-12)17-20-18(24-21-17)15-7-4-10-22(15)19(23)16-9-8-13(2)25-16/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3
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145n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50342460
PNG
((S)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3/t16-/m0/s1
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182n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416277
PNG
(CHEMBL1082635)
Show SMILES COCC(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C16H19N3O3/c1-11-5-3-6-12(9-11)15-17-16(22-18-15)13-7-4-8-19(13)14(20)10-21-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
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186n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416268
PNG
(CHEMBL1082637)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
Show InChI InChI=1S/C17H14ClN3O2S/c18-12-5-1-4-11(10-12)15-19-16(23-20-15)13-6-2-8-21(13)17(22)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2
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195n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416267
PNG
(CHEMBL1082636)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
Show InChI InChI=1S/C16H12ClN3O3S/c17-11-4-1-3-10(7-11)14-18-15(23-19-14)12-8-24-9-20(12)16(21)13-5-2-6-22-13/h1-7,12H,8-9H2
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195n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416278
PNG
(CHEMBL1082328)
Show SMILES O=C(N1CCCCC1c1nc(no1)-c1cccc(c1)C#N)c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c20-12-13-5-3-6-14(11-13)17-21-18(25-22-17)15-7-1-2-9-23(15)19(24)16-8-4-10-26-16/h3-6,8,10-11,15H,1-2,7,9H2
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200n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50342457
PNG
((S)-(2-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pi...)
Show SMILES Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
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204n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Binding affinity to human mGluR5


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416274
PNG
(CHEMBL1082666)
Show SMILES O=C(C1CCC1)N1CCCCC1c1nnn(n1)-c1cccc(c1)C#N
Show InChI InChI=1S/C18H20N6O/c19-12-13-5-3-8-15(11-13)24-21-17(20-22-24)16-9-1-2-10-23(16)18(25)14-6-4-7-14/h3,5,8,11,14,16H,1-2,4,6-7,9-10H2
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229n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416261
PNG
(CHEMBL1082667)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCN(C1)C(=O)c1cccs1
Show InChI InChI=1S/C17H16ClN5OS/c18-13-5-1-6-14(10-13)23-20-16(19-21-23)12-4-2-8-22(11-12)17(24)15-7-3-9-25-15/h1,3,5-7,9-10,12H,2,4,8,11H2
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316n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416262
PNG
(CHEMBL1082668)
Show SMILES Fc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H15BrFN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2
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457n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416263
PNG
(CHEMBL1086591)
Show SMILES Clc1cccc(c1)-n1nnc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C17H20ClN5O/c18-13-7-4-8-14(11-13)23-20-16(19-21-23)15-9-1-2-10-22(15)17(24)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
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741n/an/an/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Displacement of [3H]-M-MPEP from mGluR5 in rat cerebrocortical membranes


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416269
PNG
(CHEMBL1082329)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C17H15BrClN5O2/c18-15-8-7-14(26-15)17(25)23-9-2-1-6-13(23)16-20-22-24(21-16)12-5-3-4-11(19)10-12/h3-5,7-8,10,13H,1-2,6,9H2
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n/an/a 214n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416276
PNG
(CHEMBL1082975)
Show SMILES Cc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCC1
Show InChI InChI=1S/C18H23N5O/c1-13-6-4-9-15(12-13)23-20-17(19-21-23)16-10-2-3-11-22(16)18(24)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3
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n/an/a 224n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416260
PNG
(CHEMBL1083598)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nnn(n1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H16ClN5OS/c1-11-7-8-15(25-11)17(24)22-9-3-6-14(22)16-19-21-23(20-16)13-5-2-4-12(18)10-13/h2,4-5,7-8,10,14H,3,6,9H2,1H3
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n/an/a 251n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416270
PNG
(CHEMBL1082976)
Show SMILES Clc1cccc(c1)-n1nnc(n1)C1CCCCN1C(=O)C1CCCC1
Show InChI InChI=1S/C18H22ClN5O/c19-14-8-5-9-15(12-14)24-21-17(20-22-24)16-10-3-4-11-23(16)18(25)13-6-1-2-7-13/h5,8-9,12-13,16H,1-4,6-7,10-11H2
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n/an/a 295n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416263
PNG
(CHEMBL1086591)
Show SMILES Clc1cccc(c1)-n1nnc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C17H20ClN5O/c18-13-7-4-8-14(11-13)23-20-16(19-21-23)15-9-1-2-10-22(15)17(24)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
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n/an/a 339n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50342430
PNG
((R)-cyclobutyl(2-(3-m-tolyl-1,2,4-oxadiazol-5-yl)p...)
Show SMILES Cc1cccc(c1)-c1noc(n1)[C@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C19H23N3O2/c1-13-6-4-9-15(12-13)17-20-18(24-21-17)16-10-2-3-11-22(16)19(23)14-7-5-8-14/h4,6,9,12,14,16H,2-3,5,7-8,10-11H2,1H3/t16-/m1/s1
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n/an/a 490n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50342460
PNG
((S)-cyclobutyl(2-(3-(3-methoxyphenyl)-1,2,4-oxadia...)
Show SMILES COc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C19H23N3O3/c1-24-15-9-5-8-14(12-15)17-20-18(25-21-17)16-10-2-3-11-22(16)19(23)13-6-4-7-13/h5,8-9,12-13,16H,2-4,6-7,10-11H2,1H3/t16-/m0/s1
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n/an/a 501n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416265
PNG
(CHEMBL1083340)
Show SMILES Cc1ccc(s1)C(=O)N1CSCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C17H14ClN3O2S2/c1-10-5-6-14(25-10)17(22)21-9-24-8-13(21)16-19-15(20-23-16)11-3-2-4-12(18)7-11/h2-7,13H,8-9H2,1H3
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n/an/a 759n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416266
PNG
(CHEMBL1082722)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C19H19N3O2S/c1-12-5-3-6-14(11-12)17-20-18(24-21-17)15-7-4-10-22(15)19(23)16-9-8-13(2)25-16/h3,5-6,8-9,11,15H,4,7,10H2,1-2H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416267
PNG
(CHEMBL1082636)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CSCN1C(=O)c1ccco1
Show InChI InChI=1S/C16H12ClN3O3S/c17-11-4-1-3-10(7-11)14-18-15(23-19-14)12-8-24-9-20(12)16(21)13-5-2-6-22-13/h1-7,12H,8-9H2
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n/an/a 1.05E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50342457
PNG
((S)-(2-(3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl)pi...)
Show SMILES Clc1cccc(c1)-c1noc(n1)[C@@H]1CCCCN1C(=O)C1CCC1 |r|
Show InChI InChI=1S/C18H20ClN3O2/c19-14-8-4-7-13(11-14)16-20-17(24-21-16)15-9-1-2-10-22(15)18(23)12-5-3-6-12/h4,7-8,11-12,15H,1-3,5-6,9-10H2/t15-/m0/s1
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n/an/a 1.17E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416278
PNG
(CHEMBL1082328)
Show SMILES O=C(N1CCCCC1c1nc(no1)-c1cccc(c1)C#N)c1cccs1
Show InChI InChI=1S/C19H16N4O2S/c20-12-13-5-3-6-14(11-13)17-21-18(25-22-17)15-7-1-2-9-23(15)19(24)16-8-4-10-26-16/h3-6,8,10-11,15H,1-2,7,9H2
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n/an/a 1.74E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416275
PNG
(CHEMBL1083341)
Show SMILES Cc1ccc(s1)C(=O)N1CCCC1c1nc(no1)-c1cccc(Cl)c1
Show InChI InChI=1S/C18H16ClN3O2S/c1-11-7-8-15(25-11)18(23)22-9-3-6-14(22)17-20-16(21-24-17)12-4-2-5-13(19)10-12/h2,4-5,7-8,10,14H,3,6,9H2,1H3
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n/an/a 6.61E+3n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416277
PNG
(CHEMBL1082635)
Show SMILES COCC(=O)N1CCCC1c1nc(no1)-c1cccc(C)c1
Show InChI InChI=1S/C16H19N3O3/c1-11-5-3-6-12(9-11)15-17-16(22-18-15)13-7-4-8-19(13)14(20)10-21-2/h3,5-6,9,13H,4,7-8,10H2,1-2H3
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n/an/a 3.02E+4n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50416268
PNG
(CHEMBL1082637)
Show SMILES Clc1cccc(c1)-c1noc(n1)C1CCCN1C(=O)c1cccs1
Show InChI InChI=1S/C17H14ClN3O2S/c18-12-5-1-4-11(10-12)15-19-16(23-20-15)13-6-2-8-21(13)17(22)14-7-3-9-24-14/h1,3-5,7,9-10,13H,2,6,8H2
PDB
MMDB

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KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.02E+4n/an/an/an/an/an/a



Gedeon Richter Plc

Curated by ChEMBL


Assay Description
Allosteric modulation of mGluR5 in E17 rat neuronal cultures assessed as inhibition of (S)-3,5-dihydroxyphenylglycine-induced calcium level


Bioorg Med Chem Lett 20: 3737-41 (2010)


Article DOI: 10.1016/j.bmcl.2010.04.075
BindingDB Entry DOI: 10.7270/Q2FX7BPQ
More data for this
Ligand-Target Pair