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Compile Data Set for Download or QSAR

Found 435 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 5'   
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 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
PDB

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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
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
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
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
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
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
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 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 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 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 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


(Rattus norvegicus (Rat))
BDBM143694
PNG
(US9682959, 2 | US9751856, 2)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ccc(cn1)C#Cc1ccccc1
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
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
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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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 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))
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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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 5a (mGluR5)


(Homo sapiens (Human))
BDBM234209
PNG
(US9359301, Reference compound 2)
Show SMILES CN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C18H18FN3O/c1-18(2,3)22(4)17(23)16-20-11-14(12-21-16)9-8-13-6-5-7-15(19)10-13/h5-7,10-12H,1-4H3
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51n/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))
BDBM224625
PNG
(US9328070, Reference compound 3)
Show SMILES CC(C)(NC(=O)c1ccc(cn1)C#Cc1ccnc(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C17H13ClF3N3O/c1-16(2,17(19,20)21)24-15(25)13-6-5-12(10-23-13)4-3-11-7-8-22-14(18)9-11/h5-10H,1-2H3,(H,24,25)
PDB

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58n/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 5a (mGluR5)


(Homo sapiens (Human))
BDBM199990
PNG
(US9227959, 4)
Show SMILES CC1(C)COCCN1C(=O)c1ncc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C19H18ClN3O2/c1-19(2)13-25-9-8-23(19)18(24)17-21-11-15(12-22-17)7-6-14-4-3-5-16(20)10-14/h3-5,10-12H,8-9,13H2,1-2H3
PDB

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67n/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))
BDBM199987
PNG
(US9227959, 1)
Show SMILES CC1(C)COCCN1C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/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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72n/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


(Rattus norvegicus (Rat))
BDBM143697
PNG
(US9682959, 4 | US9751856, 4)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(Cl)c1
Show InChI InChI=1S/C18H15ClN4O/c1-18(2)17(24)23(3)16(22-18)15-20-10-13(11-21-15)8-7-12-5-4-6-14(19)9-12/h4-6,9-11H,1-3H3
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80n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM234212
PNG
(US9359301, 3)
Show SMILES CCN(C(=O)c1ncc(cn1)C#Cc1cccc(F)c1)C(C)(C)C
Show InChI InChI=1S/C19H20FN3O/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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94n/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))
BDBM199985
PNG
(US9227959, Reference Compound 1, Ex. 35)
Show SMILES CC1(C)CN(CCO1)C(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C20H19FN2O2/c1-20(2)14-23(10-11-25-20)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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201n/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


(Rattus norvegicus (Rat))
BDBM143699
PNG
(US9682959, 6 | US9751856, 6)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C18H15FN4O/c1-18(2)17(24)23(3)16(22-18)15-20-10-13(11-21-15)8-7-12-5-4-6-14(19)9-12/h4-6,9-11H,1-3H3
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280n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


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


(Rattus norvegicus (Rat))
BDBM143698
PNG
(US9682959, 5 | US9751856, 5)
Show SMILES CN1C(=O)C(C)(C)N=C1c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C18H16N4O/c1-18(2)17(23)22(3)16(21-18)15-19-11-14(12-20-15)10-9-13-7-5-4-6-8-13/h4-8,11-12H,1-3H3
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281n/an/an/an/an/an/an/an/a



Hoffmann-La Roche Inc

US Patent


Assay Description
The pharmacological activity of the compounds was tested using the following method: cDNA encoding rat mGlu 5a receptor was transiently transfected i...


US Patent US9751856 (2017)


BindingDB Entry DOI: 10.7270/Q2G162ZZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5a (mGluR5)


(Homo sapiens (Human))
BDBM199986
PNG
(US9227959, Reference Compound 2, Ex. 46)
Show SMILES CC1(C)CCCN(C1)C(=O)c1ncc(cn1)C#Cc1ccccc1
Show InChI InChI=1S/C20H21N3O/c1-20(2)11-6-12-23(15-20)19(24)18-21-13-17(14-22-18)10-9-16-7-4-3-5-8-16/h3-5,7-8,13-14H,6,11-12,15H2,1-2H3
PDB

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315n/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


(Mus musculus)
BDBM50483145
PNG
(CHEMBL1630080)
Show SMILES C[C@@H](OC(=O)Nc1cccc(F)c1)c1sc2nncn2c1C
Show InChI InChI=1S/C14H13FN4O2S/c1-8-12(22-13-18-16-7-19(8)13)9(2)21-14(20)17-11-5-3-4-10(15)6-11/h3-7,9H,1-2H3,(H,17,20)/t9-/m1/s1
PDB

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UniProtKB/TrEMBL

B.MOAD
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n/an/a 32n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay


Bioorg Med Chem Lett 20: 7521-4 (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50483144
PNG
(CHEMBL1630057 | GSK2210875)
Show SMILES C[C@@H](OC(=O)Nc1ccccc1)c1sc2ncnn2c1C
Show InChI InChI=1S/C14H14N4O2S/c1-9-12(21-13-15-8-16-18(9)13)10(2)20-14(19)17-11-6-4-3-5-7-11/h3-8,10H,1-2H3,(H,17,19)/t10-/m1/s1
PDB

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n/an/a 32n/an/an/an/an/an/a



Medicines Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR5 in mouse astrocytes assessed as inhibition of L-quisqualate induced calcium release by FLIPR assay


Bioorg Med Chem Lett 20: 7521-4 (2010)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067181
PNG
(CHEMBL3401726)
Show SMILES Clc1cc(Cl)cc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H9Cl2N3O/c15-9-5-8(6-10(16)7-9)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
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n/an/a 6.40E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067180
PNG
(CHEMBL3401725)
Show SMILES Clc1ccc(cc1Cl)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H9Cl2N3O/c15-9-6-5-8(7-10(9)16)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
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n/an/a 9.80E+3n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067173
PNG
(CHEMBL3401720)
Show SMILES FC(F)(F)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)10-5-3-4-9(8-10)13(22)21-14-19-11-6-1-2-7-12(11)20-14/h1-8H,(H2,19,20,21,22)
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n/an/a 1.20E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067178
PNG
(CHEMBL3401723)
Show SMILES Clc1ccc(Cl)c(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H9Cl2N3O/c15-8-5-6-10(16)9(7-8)13(20)19-14-17-11-3-1-2-4-12(11)18-14/h1-7H,(H2,17,18,19,20)
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University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067185
PNG
(CHEMBL1578123)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)C1CCC1
Show InChI InChI=1S/C12H13N3O/c16-11(8-4-3-5-8)15-12-13-9-6-1-2-7-10(9)14-12/h1-2,6-8H,3-5H2,(H2,13,14,15,16)
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n/an/a 1.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM39107
PNG
(MLS000092864 | N-(1H-benzimidazol-2-yl)-4-fluorany...)
Show SMILES Fc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10FN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)
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University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067177
PNG
(CHEMBL1402439)
Show SMILES CN(C)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C16H16N4O/c1-20(2)12-7-5-6-11(10-12)15(21)19-16-17-13-8-3-4-9-14(13)18-16/h3-10H,1-2H3,(H2,17,18,19,21)
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n/an/a 2.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083317
PNG
(CHEMBL3423096)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1
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n/an/a 2.10E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067183
PNG
(CHEMBL3401728)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)\C=C\c1ccncc1
Show InChI InChI=1S/C15H12N4O/c20-14(6-5-11-7-9-16-10-8-11)19-15-17-12-3-1-2-4-13(12)18-15/h1-10H,(H2,17,18,19,20)/b6-5+
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n/an/a 2.20E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50275235
PNG
(CHEMBL486569 | N-(1H-benzo[d]imidazol-2-yl)-4-chlo...)
Show SMILES Clc1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10ClN3O/c15-10-7-5-9(6-8-10)13(19)18-14-16-11-3-1-2-4-12(11)17-14/h1-8H,(H2,16,17,18,19)
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n/an/a 2.50E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50184701
PNG
(CHEMBL210658 | N-(1H-benzo[d]imidazol-2-yl)-3-nitr...)
Show SMILES [O-][N+](=O)c1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10N4O3/c19-13(9-4-3-5-10(8-9)18(20)21)17-14-15-11-6-1-2-7-12(11)16-14/h1-8H,(H2,15,16,17,19)
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n/an/a 2.90E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM53441
PNG
(MLS001000876 | N-(1H-benzimidazol-2-yl)-3-chlorany...)
Show SMILES Clc1cccc(c1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10ClN3O/c15-10-5-3-4-9(8-10)13(19)18-14-16-11-6-1-2-7-12(11)17-14/h1-8H,(H2,16,17,18,19)
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University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083267
PNG
(CHEMBL3423270)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1NC(=O)c1cccc(F)c1
Show InChI InChI=1S/C16H13F2NO/c17-12-5-1-3-10(7-12)14-9-15(14)19-16(20)11-4-2-6-13(18)8-11/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 3.00E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM95957
PNG
(MLS000680654 | N-(1H-benzimidazol-2-yl)-4-nitro-be...)
Show SMILES [O-][N+](=O)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10N4O3/c19-13(9-5-7-10(8-6-9)18(20)21)17-14-15-11-3-1-2-4-12(11)16-14/h1-8H,(H2,15,16,17,19)
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n/an/a 3.30E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067179
PNG
(CHEMBL3401724)
Show SMILES FC(F)(F)c1ccc(c(c1)C(=O)Nc1nc2ccccc2[nH]1)C(F)(F)F
Show InChI InChI=1S/C16H9F6N3O/c17-15(18,19)8-5-6-10(16(20,21)22)9(7-8)13(26)25-14-23-11-3-1-2-4-12(11)24-14/h1-7H,(H2,23,24,25,26)
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n/an/a 3.40E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM38984
PNG
(MLS000092863 | N-(1H-benzimidazol-2-yl)-2-fluorany...)
Show SMILES Fc1ccccc1C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C14H10FN3O/c15-10-6-2-1-5-9(10)13(19)18-14-16-11-7-3-4-8-12(11)17-14/h1-8H,(H2,16,17,18,19)
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n/an/a 3.60E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067184
PNG
(CHEMBL3401729)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)C1CCCCC1
Show InChI InChI=1S/C14H17N3O/c18-13(10-6-2-1-3-7-10)17-14-15-11-8-4-5-9-12(11)16-14/h4-5,8-10H,1-3,6-7H2,(H2,15,16,17,18)
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n/an/a 4.20E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083334
PNG
(CHEMBL3423094)
Show SMILES COc1cc(Br)ccc1NC(=O)[C@H]1C[C@@H]1c1cccc(F)c1
Show InChI InChI=1S/C17H15BrFNO2/c1-22-16-8-11(18)5-6-15(16)20-17(21)14-9-13(14)10-3-2-4-12(19)7-10/h2-8,13-14H,9H2,1H3,(H,20,21)/t13-,14+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083318
PNG
(CHEMBL3423095)
Show SMILES Fc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2s1
Show InChI InChI=1S/C17H13FN2OS/c18-11-5-3-4-10(8-11)12-9-13(12)16(21)20-17-19-14-6-1-2-7-15(14)22-17/h1-8,12-13H,9H2,(H,19,20,21)/t12-,13+/m1/s1
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n/an/a 4.60E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067176
PNG
(CHEMBL3401722)
Show SMILES O=C(Nc1nc2ccccc2[nH]1)c1ccncc1
Show InChI InChI=1S/C13H10N4O/c18-12(9-5-7-14-8-6-9)17-13-15-10-3-1-2-4-11(10)16-13/h1-8H,(H2,15,16,17,18)
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n/an/a 4.90E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083316
PNG
(CHEMBL3423097)
Show SMILES Fc1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1
Show InChI InChI=1S/C16H13ClFNO/c17-11-3-1-2-10(8-11)14-9-15(14)16(20)19-13-6-4-12(18)5-7-13/h1-8,14-15H,9H2,(H,19,20)/t14-,15+/m1/s1
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n/an/a 5.80E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067174
PNG
(CHEMBL3401721)
Show SMILES FC(F)(F)c1ccc(cc1)C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)10-7-5-9(6-8-10)13(22)21-14-19-11-3-1-2-4-12(11)20-14/h1-8H,(H2,19,20,21,22)
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PubMed
n/an/a 5.90E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083313
PNG
(CHEMBL3423100)
Show SMILES Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2[nH]1
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n/an/a 6.70E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50083315
PNG
(CHEMBL3423098)
Show SMILES Clc1cccc(c1)[C@H]1C[C@@H]1C(=O)Nc1ccccc1Cl
Show InChI InChI=1S/C16H13Cl2NO/c17-11-5-3-4-10(8-11)12-9-13(12)16(20)19-15-7-2-1-6-14(15)18/h1-8,12-13H,9H2,(H,19,20)/t12-,13+/m1/s1
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n/an/a 7.10E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulation at mGluR5 in mouse BV2 cells assessed as inhibition of LPS-induced NO production incubated for 1 hr prior to LPS chall...


Bioorg Med Chem Lett 25: 2275-9 (2015)


Article DOI: 10.1016/j.bmcl.2015.04.042
BindingDB Entry DOI: 10.7270/Q2708359
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Mus musculus)
BDBM50067170
PNG
(CHEMBL3401716)
Show SMILES FC(F)(F)c1ccccc1C(=O)Nc1nc2ccccc2[nH]1
Show InChI InChI=1S/C15H10F3N3O/c16-15(17,18)10-6-2-1-5-9(10)13(22)21-14-19-11-7-3-4-8-12(11)20-14/h1-8H,(H2,19,20,21,22)
PDB

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CHEMBL
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Article
PubMed
n/an/a 8.80E+4n/an/an/an/an/an/a



University of Maryland

Curated by ChEMBL


Assay Description
Positive allosteric modulator activity at mGluR5 in mouse BV2 cells assessed as inhibition of nitric oxide production pre-treated 1 hr before lipopol...


Bioorg Med Chem 23: 2211-20 (2015)


Article DOI: 10.1016/j.bmc.2015.02.054
BindingDB Entry DOI: 10.7270/Q2D2209T
More data for this
Ligand-Target Pair
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