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Compile Data Set for Download or QSAR

Found 687 hits with Last Name = 'vieira' and Initial = 'e'   
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))
BDBM50181073
PNG
(2-(3-chloro-benzyloxy)-6-methyl-isonicotinonitrile...)
Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N
Show InChI InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3
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1n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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3.10n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
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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3.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181066
PNG
(2-(3-(3-chlorobenzyloxy)-5-methylphenyl)isoindolin...)
Show SMILES Cc1cc(OCc2cccc(Cl)c2)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C22H16ClNO3/c1-14-9-17(24-21(25)19-7-2-3-8-20(19)22(24)26)12-18(10-14)27-13-15-5-4-6-16(23)11-15/h2-12H,13H2,1H3
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4.70n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181075
PNG
(2-(3-chlorobenzyloxy)-6-chloroisonicotinonitrile |...)
Show SMILES Clc1cccc(COc2cc(cc(Cl)n2)C#N)c1
Show InChI InChI=1S/C13H8Cl2N2O/c14-11-3-1-2-9(4-11)8-18-13-6-10(7-16)5-12(15)17-13/h1-6H,8H2
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5n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
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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5.30n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
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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5.40n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181076
PNG
(3-((3-(1,3-dioxoisoindolin-2-yl)-5-methylphenoxy)m...)
Show SMILES Cc1cc(OCc2cccc(c2)C#N)cc(c1)N1C(=O)c2ccccc2C1=O
Show InChI InChI=1S/C23H16N2O3/c1-15-9-18(25-22(26)20-7-2-3-8-21(20)23(25)27)12-19(10-15)28-14-17-6-4-5-16(11-17)13-24/h2-12H,14H2,1H3
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6n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
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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6.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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8.70n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181067
PNG
(2-chloro-6-((2-methylpyridin-4-yl)methoxy)isonicot...)
Show SMILES Cc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Show InChI InChI=1S/C13H10ClN3O/c1-9-4-10(2-3-16-9)8-18-13-6-11(7-15)5-12(14)17-13/h2-6H,8H2,1H3
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10n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181079
PNG
(CHEMBL207097 | N-(2-(3-chlorobenzyloxy)-6-methylpy...)
Show SMILES CN(c1cncnc1)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H17ClN4O/c1-13-6-16(23(2)17-9-20-12-21-10-17)8-18(22-13)24-11-14-4-3-5-15(19)7-14/h3-10,12H,11H2,1-2H3
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11n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
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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14.1n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224627
PNG
(US9328070, 2)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C19H19ClN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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15n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143695
PNG
(US9682959, 3 | US9751856, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C19H16ClN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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16n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143695
PNG
(US9682959, 3 | US9751856, 3)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(Cl)c1 |c:7|
Show InChI InChI=1S/C19H16ClN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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16n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181065
PNG
(2-chloro-6-((2-chloropyridin-4-yl)methoxy)isonicot...)
Show SMILES Clc1cc(COc2cc(cc(Cl)n2)C#N)ccn1
Show InChI InChI=1S/C12H7Cl2N3O/c13-10-3-8(1-2-16-10)7-18-12-5-9(6-15)4-11(14)17-12/h1-5H,7H2
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17n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071369
PNG
(CHEMBL3410220)
Show SMILES Cc1nc(cn1-c1cccc(F)c1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-10-15(8-9-20-13)6-7-17-12-22(14(2)21-17)18-5-3-4-16(19)11-18/h3-5,8-12H,1-2H3
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17n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
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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17.8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071328
PNG
(CHEMBL3410213)
Show SMILES Cc1cc(ccn1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-10-14(8-9-19-13)6-7-15-17-11-22-18-5-3-2-4-16(18)21(17)12-20-15/h2-5,8-10,12H,11H2,1H3
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18n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143693
PNG
(US9682959, 1 | US9751856, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C19H16FN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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18n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143693
PNG
(US9682959, 1 | US9751856, 1)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1cccc(F)c1 |c:7|
Show InChI InChI=1S/C19H16FN3O/c1-19(2)18(24)23(3)17(22-19)16-10-9-14(12-21-16)8-7-13-5-4-6-15(20)11-13/h4-6,9-12H,1-3H3
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18n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181077
PNG
(CHEMBL204062 | N-(2-(3-chlorobenzyloxy)-6-methylpy...)
Show SMILES CN(C(=O)C(F)(F)F)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C16H14ClF3N2O2/c1-10-6-13(22(2)15(23)16(18,19)20)8-14(21-10)24-9-11-4-3-5-12(17)7-11/h3-8H,9H2,1-2H3
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18n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199988
PNG
(US9227959, 2)
Show SMILES Clc1cccc(c1)C#Cc1ccc(nc1)C(=O)N1CCOCC1
Show InChI InChI=1S/C18H15ClN2O2/c19-16-3-1-2-14(12-16)4-5-15-6-7-17(20-13-15)18(22)21-8-10-23-11-9-21/h1-3,6-7,12-13H,8-11H2
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19n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071375
PNG
(CHEMBL3410223)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C19H13ClF3N3O/c1-12-17(8-3-14-9-10-24-18(20)11-14)25-13(2)26(12)15-4-6-16(7-5-15)27-19(21,22)23/h4-7,9-11H,1-2H3
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20n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071372
PNG
(CHEMBL1946770)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H14FN3/c1-13-11-15(9-10-20-13)3-6-17-12-22(14(2)21-17)18-7-4-16(19)5-8-18/h4-5,7-12H,1-2H3
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22n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199989
PNG
(US9227959, 3)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C20H19ClN2O2/c1-20(2)14-25-11-10-23(20)19(24)18-9-8-16(13-22-18)7-6-15-4-3-5-17(21)12-15/h3-5,8-9,12-13H,10-11,14H2,1-2H3
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23n/an/an/an/an/an/a7.4n/a



Hoffman-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger ...


US Patent US9227959 (2016)


BindingDB Entry DOI: 10.7270/Q25D8QNJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234211
PNG
(US9359301, 2)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C20H21ClN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
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24n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181070
PNG
(1-(3-(3-chlorobenzyloxy)-5-methylphenyl)-2-methyl-...)
Show SMILES Cc1nccn1-c1cc(C)cc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C18H17ClN2O/c1-13-8-17(21-7-6-20-14(21)2)11-18(9-13)22-12-15-4-3-5-16(19)10-15/h3-11H,12H2,1-2H3
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27n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181084
PNG
(2-(3-chlorobenzyloxy)-N,6-dimethyl-N-(pyridin-3-yl...)
Show SMILES CN(Cc1cccnc1)C(=O)c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H20ClN3O2/c1-15-9-18(21(26)25(2)13-17-6-4-8-23-12-17)11-20(24-15)27-14-16-5-3-7-19(22)10-16/h3-12H,13-14H2,1-2H3
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27n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
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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28n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224626
PNG
(US9328070, 1)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)15-8-7-14(12-21-15)6-5-13-9-10-20-16(19)11-13/h7-12H,1-4H3
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28n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181083
PNG
((5-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)oxa...)
Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)-c1ocnc1CO
Show InChI InChI=1S/C17H15ClN2O3/c1-11-5-13(17-15(8-21)19-10-23-17)7-16(20-11)22-9-12-3-2-4-14(18)6-12/h2-7,10,21H,8-9H2,1H3
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28n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071333
PNG
(CHEMBL3410215)
Show SMILES Cc1nc(cn1-c1ccccc1)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H15N3/c1-14-12-16(10-11-19-14)8-9-17-13-21(15(2)20-17)18-6-4-3-5-7-18/h3-7,10-13H,1-2H3
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28n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224623
PNG
(US9328070, Reference compound 1 | US9359301, Refer...)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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29n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071332
PNG
(CHEMBL3410214)
Show SMILES Cc1nc(C#Cc2ccccc2)c2COc3ccccc3-n12
Show InChI InChI=1S/C19H14N2O/c1-14-20-16(12-11-15-7-3-2-4-8-15)18-13-22-19-10-6-5-9-17(19)21(14)18/h2-10H,13H2,1H3
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29n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224623
PNG
(US9328070, Reference compound 1 | US9359301, Refer...)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H19FN2O/c1-19(2,3)22(4)18(23)17-11-10-15(13-21-17)9-8-14-6-5-7-16(20)12-14/h5-7,10-13H,1-4H3
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29n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071371
PNG
(CHEMBL3410221)
Show SMILES Cc1nc(cn1-c1ccc(F)cc1F)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
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32n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181078
PNG
(CHEMBL206998 | pentyl 3-(3-chlorobenzyloxy)-5-meth...)
Show SMILES CCCCCOC(=O)N(C)c1cc(C)cc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C21H26ClNO3/c1-4-5-6-10-25-21(24)23(3)19-11-16(2)12-20(14-19)26-15-17-8-7-9-18(22)13-17/h7-9,11-14H,4-6,10,15H2,1-3H3
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33n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071376
PNG
(CHEMBL3410224)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1F |(1.89,3.88,;2.81,3.06,;4.31,3.38,;5.09,2.05,;6.62,1.89,;8.15,1.73,;9.68,1.58,;10.31,.17,;11.84,.01,;12.74,1.26,;12.12,2.66,;12.84,3.66,;10.58,2.82,;4.06,.91,;4.31,-.3,;2.67,1.54,;1.33,.77,;,1.54,;-1.33,.77,;-1.33,-.77,;-2.4,-1.39,;,-1.54,;1.33,-.77,;2.4,-1.39,)|
Show InChI InChI=1S/C18H12ClF2N3/c1-11-16(5-3-13-7-8-22-18(19)9-13)23-12(2)24(11)17-6-4-14(20)10-15(17)21/h4,6-10H,1-2H3
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33n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071374
PNG
(BASIMGLURANT | Basimglurant | RG-7090 | RO-4917523)
Show SMILES Cc1nc(C#Cc2ccnc(Cl)c2)c(C)n1-c1ccc(F)cc1
Show InChI InChI=1S/C18H13ClFN3/c1-12-17(8-3-14-9-10-21-18(19)11-14)22-13(2)23(12)16-6-4-15(20)5-7-16/h4-7,9-11H,1-2H3
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36n/an/an/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from mGlu5 receptor (unknown origin) expressed in HEK293 cells by competition binding assay


J Med Chem 58: 1358-71 (2015)


Article DOI: 10.1021/jm501642c
BindingDB Entry DOI: 10.7270/Q2J96825
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C19H17N3O/c1-19(2)18(23)22(3)17(21-19)16-12-11-15(13-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-13H,1-3H3
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38n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent




US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1 |c:7|
Show InChI InChI=1S/C19H17N3O/c1-19(2)18(23)22(3)17(21-19)16-12-11-15(13-20-16)10-9-14-7-5-4-6-8-14/h4-8,11-13H,1-3H3
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38n/an/an/an/an/an/an/an/a



HOFFMANN-LA ROCHE INC.

US Patent


Assay Description
cDNA encoding rat mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by E.-J. Schlaeger and K. Christensen (Cyt...


US Patent US9682959 (2017)


BindingDB Entry DOI: 10.7270/Q2TQ5ZPR
More data for this
Ligand-Target Pair
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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40.8n/an/an/an/an/an/an/an/a



F. Hoffmann-La Roche

Curated by PDSP Ki Database




J Pharmacol Exp Ther 315: 711-21 (2005)


Article DOI: 10.1124/jpet.105.089839
BindingDB Entry DOI: 10.7270/Q2BC3X4M
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234210
PNG
(US9359301, 1)
Show SMILES CCN(C(=O)c1ccc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C20H21FN2O/c1-5-23(20(2,3)4)19(24)18-12-11-16(14-22-18)10-9-15-7-6-8-17(21)13-15/h6-8,11-14H,5H2,1-4H3
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42n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM224624
PNG
(US9328070, Reference compound 2)
Show SMILES CN(C(=O)c1ccc(cn1)C#Cc1cncc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C18H18ClN3O/c1-18(2,3)22(4)17(23)16-8-7-13(11-21-16)5-6-14-9-15(19)12-20-10-14/h7-12H,1-4H3
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US Patent
42n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9328070 (2016)


BindingDB Entry DOI: 10.7270/Q27943JT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181081
PNG
(1-(2-(3-chlorobenzyloxy)-6-methylpyridin-4-yl)-2-m...)
Show SMILES Cc1nc(cn1-c1cc(C)nc(OCc2cccc(Cl)c2)c1)C(N)=O
Show InChI InChI=1S/C18H17ClN4O2/c1-11-6-15(23-9-16(18(20)24)22-12(23)2)8-17(21-11)25-10-13-4-3-5-14(19)7-13/h3-9H,10H2,1-2H3,(H2,20,24)
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44n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181069
PNG
(2-(3-chlorobenzyloxy)-4-(2,5-dimethyl-1H-pyrrol-1-...)
Show SMILES Cc1ccc(C)n1-c1cc(C)nc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C19H19ClN2O/c1-13-9-18(22-14(2)7-8-15(22)3)11-19(21-13)23-12-16-5-4-6-17(20)10-16/h4-11H,12H2,1-3H3
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45n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234213
PNG
(US9359301, 4)
Show SMILES CCN(C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1)C(C)(C)C
Show InChI InChI=1S/C19H20ClN3O/c1-5-23(19(2,3)4)18(24)17-21-12-15(13-22-17)10-9-14-7-6-8-16(20)11-14/h6-8,11-13H,5H2,1-4H3
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US Patent
46n/an/an/an/an/an/a7.4n/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
For binding experiments, cDNA encoding human mGlu 5a receptor was transiently transfected into EBNA cells using a procedure described by Schlaeger an...


US Patent US9359301 (2016)


BindingDB Entry DOI: 10.7270/Q2KK99ND
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50181087
PNG
(CHEMBL206427 | N-(3-(3-chlorobenzyloxy)-5-methylph...)
Show SMILES CN(C(=O)Cc1c(F)cccc1F)c1cc(C)cc(OCc2cccc(Cl)c2)c1
Show InChI InChI=1S/C23H20ClF2NO2/c1-15-9-18(12-19(10-15)29-14-16-5-3-6-17(24)11-16)27(2)23(28)13-20-21(25)7-4-8-22(20)26/h3-12H,13-14H2,1-2H3
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48n/an/an/an/an/an/an/an/a



F. Hoffman-La Roche Ltd

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from recombinant human mGlu5 receptor


Bioorg Med Chem Lett 16: 1892-7 (2006)


Article DOI: 10.1016/j.bmcl.2005.12.088
BindingDB Entry DOI: 10.7270/Q2ZG6RT8
More data for this
Ligand-Target Pair
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