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Compile Data Set for Download or QSAR

Found 75 hits with Last Name = 'honer' and Initial = 'm'   
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
Histamine receptor (H3)


(Homo sapiens (Human))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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0.575n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant histamine H3 receptor


Bioorg Med Chem 20: 2889-96 (2012)


Article DOI: 10.1016/j.bmc.2012.03.024
BindingDB Entry DOI: 10.7270/Q2JQ1258
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM21690
PNG
(1-cyclopropyl-6-fluoro-4-oxo-7-(piperazin-1-yl)-1,...)
Show SMILES OC(=O)c1cn(C2CC2)c2cc(N3CCNCC3)c(F)cc2c1=O
Show InChI InChI=1S/C17H18FN3O3/c18-13-7-11-14(8-15(13)20-5-3-19-4-6-20)21(10-1-2-10)9-12(16(11)22)17(23)24/h7-10,19H,1-6H2,(H,23,24)
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0.654n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Binding affinity to rat cerebral cortex histamine H3 receptor


Bioorg Med Chem 20: 2889-96 (2012)


Article DOI: 10.1016/j.bmc.2012.03.024
BindingDB Entry DOI: 10.7270/Q2JQ1258
More data for this
Ligand-Target Pair
Histamine H3 receptor


(Rattus norvegicus (rat))
BDBM50159110
PNG
(1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...)
Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1
Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2
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1.26n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Binding affinity to rat histamine H3 receptor


Bioorg Med Chem 20: 2889-96 (2012)


Article DOI: 10.1016/j.bmc.2012.03.024
BindingDB Entry DOI: 10.7270/Q2JQ1258
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318372
PNG
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-meth...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:7|
Show InChI InChI=1S/C14H14N2O/c1-17-16-14-7-4-5-12(11-14)8-9-13-6-2-3-10-15-13/h2-3,6,10-11H,4-5,7H2,1H3/b16-14+
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2.20n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318382
PNG
(3-[pyridine-2-yl)ethynyl]cyclohex-2-enone-O-fluoro...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-9-11-21-12-13-22-20-17-6-3-4-15(14-17)7-8-16-5-1-2-10-19-16/h1-2,5,10,14H,3-4,6,9,11-13H2/b20-17+
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3.80n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318375
PNG
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-3-fl...)
Show SMILES Fc1cccnc1O\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:14|
Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-12-21-18(17)23-22-16-7-3-5-14(13-16)9-10-15-6-1-2-11-20-15/h1-2,4,6,8,11-13H,3,5,7H2/b22-16+
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4.01n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50198702
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccc(C)n1 |c:7|
Show InChI InChI=1S/C15H16N2O/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-18-2/h3,5,7,11H,4,6,8H2,1-2H3/b17-15+
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4.40n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318381
PNG
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(3-f...)
Show SMILES FCCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:12|
Show InChI InChI=1S/C17H19FN2O2/c18-10-4-12-21-14-22-20-17-7-3-5-15(13-17)8-9-16-6-1-2-11-19-16/h1-2,6,11,13H,3-5,7,10,12,14H2/b20-17+
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5.42n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323923
PNG
((E)-3-((2-(Fluoromethyl)thiazol-4-yl)ethynyl)cyclo...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1csc(CF)n1 |c:7|
Show InChI InChI=1S/C13H13FN2OS/c1-17-16-11-4-2-3-10(7-11)5-6-12-9-18-13(8-14)15-12/h7,9H,2-4,8H2,1H3/b16-11+
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5.5n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting


Bioorg Med Chem 18: 6044-54 (2010)


Article DOI: 10.1016/j.bmc.2010.06.070
BindingDB Entry DOI: 10.7270/Q2862GMS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318380
PNG
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-(2-f...)
Show SMILES FCCOCO\N=C1/CCCC(=C1)C#Cc1ccccn1 |c:11|
Show InChI InChI=1S/C16H17FN2O2/c17-9-11-20-13-21-19-16-6-3-4-14(12-16)7-8-15-5-1-2-10-18-15/h1-2,5,10,12H,3-4,6,9,11,13H2/b19-16+
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8.41n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318374
PNG
((E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...)
Show SMILES Fc1cccc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16+
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9.15n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
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 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


(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


(Rattus norvegicus (Rat))
BDBM50323924
PNG
((E)-3-(Thiazol-2-ylethynyl)cyclohex-2-enone O-meth...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1nccs1 |c:7|
Show InChI InChI=1S/C12H12N2OS/c1-15-14-11-4-2-3-10(9-11)5-6-12-13-7-8-16-12/h7-9H,2-4H2,1H3/b14-11+
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20.3n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting


Bioorg Med Chem 18: 6044-54 (2010)


Article DOI: 10.1016/j.bmc.2010.06.070
BindingDB Entry DOI: 10.7270/Q2862GMS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50323926
PNG
((E)-3-((2-Methylthiazol-4-yl)ethynyl)cyclohex-2-en...)
Show SMILES Cc1nc(cs1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:9|
Show InChI InChI=1S/C16H19FN2O2S/c1-13-18-16(12-22-13)6-5-14-3-2-4-15(11-14)19-21-10-9-20-8-7-17/h11-12H,2-4,7-10H2,1H3/b19-15+
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21.9n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting


Bioorg Med Chem 18: 6044-54 (2010)


Article DOI: 10.1016/j.bmc.2010.06.070
BindingDB Entry DOI: 10.7270/Q2862GMS
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


(Rattus norvegicus (Rat))
BDBM50318383
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\OCCOCCF |t:10|
Show InChI InChI=1S/C18H21FN2O2/c1-15-4-2-6-17(20-15)9-8-16-5-3-7-18(14-16)21-23-13-12-22-11-10-19/h2,4,6,14H,3,5,7,10-13H2,1H3/b21-18+
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26.8n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
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 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 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))
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


(Rattus norvegicus (Rat))
BDBM50323925
PNG
((E)-3-(Thiazol-4-ylethynyl)cyclohex-2-enone O-2-(2...)
Show SMILES FCCOCCO\N=C1/CCCC(=C1)C#Cc1cscn1 |c:12|
Show InChI InChI=1S/C15H17FN2O2S/c16-6-7-19-8-9-20-18-14-3-1-2-13(10-14)4-5-15-11-21-12-17-15/h10-12H,1-3,6-9H2/b18-14+
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36n/an/an/an/an/an/an/an/a



ETH Zurich (Swiss Federal Institute of Technology)

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat cerebellum membranes after 45 mins by liquid scintillation counting


Bioorg Med Chem 18: 6044-54 (2010)


Article DOI: 10.1016/j.bmc.2010.06.070
BindingDB Entry DOI: 10.7270/Q2862GMS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318376
PNG
((Z)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fl...)
Show SMILES Fc1cccc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)n1 |c:12|
Show InChI InChI=1S/C18H14FN3O/c19-17-8-4-9-18(21-17)23-22-16-7-3-5-14(13-16)10-11-15-6-1-2-12-20-15/h1-2,4,6,8-9,12-13H,3,5,7H2/b22-16-
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44.0n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318373
PNG
((E)-3-((6-methylpyridin-2-yl)ethynyl)cyclohex-2-en...)
Show SMILES Cc1cccc(n1)C#CC1=C\C(CCC1)=N\Oc1cccc(F)n1 |t:10|
Show InChI InChI=1S/C19H16FN3O/c1-14-5-2-7-16(21-14)12-11-15-6-3-8-17(13-15)23-24-19-10-4-9-18(20)22-19/h2,4-5,7,9-10,13H,3,6,8H2,1H3/b23-17+
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46.8n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318377
PNG
((Z)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...)
Show SMILES Fc1cc(O\N=C2\CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18-
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49.8n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318371
PNG
((E)-3-(pyridin-4-ylethynyl)cyclohex-2-enone O-meth...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1ccncc1 |c:7|
Show InChI InChI=1S/C14H14N2O/c1-17-16-14-4-2-3-13(11-14)6-5-12-7-9-15-10-8-12/h7-11H,2-4H2,1H3/b16-14+
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54.8n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50318379
PNG
((E)-4-fluoro-2-(3-(pyridin-2-ylethynyl)cyclohex-2-...)
Show SMILES Fc1cc(O\N=C2/CCCC(=C2)C#Cc2ccccn2)ccc1C#N |c:10|
Show InChI InChI=1S/C20H14FN3O/c21-20-13-19(10-8-16(20)14-22)25-24-18-6-3-4-15(12-18)7-9-17-5-1-2-11-23-17/h1-2,5,8,10-13H,3-4,6H2/b24-18+
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56.1n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071324
PNG
(CHEMBL3410207)
Show SMILES C1Oc2ccccc2-n2cnc(C#Cc3ccccc3)c12
Show InChI InChI=1S/C18H12N2O/c1-2-6-14(7-3-1)10-11-15-17-12-21-18-9-5-4-8-16(18)20(17)13-19-15/h1-9,13H,12H2
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69n/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))
BDBM50071322
PNG
(CHEMBL3410209)
Show SMILES Cc1cccc(c1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-5-4-6-15(11-14)9-10-16-18-12-22-19-8-3-2-7-17(19)21(18)13-20-16/h2-8,11,13H,12H2,1H3
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72n/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))
BDBM50318378
PNG
((E)-2-fluoro-4-(3-(pyridin-2-ylethynyl)cyclohex-2-...)
Show SMILES Fc1ccc(C#N)c(O\N=C2/CCCC(=C2)C#Cc2ccccn2)c1 |c:14|
Show InChI InChI=1S/C20H14FN3O/c21-17-9-8-16(14-22)20(13-17)25-24-19-6-3-4-15(12-19)7-10-18-5-1-2-11-23-18/h1-2,5,8-9,11-13H,3-4,6H2/b24-19+
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73.4n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071335
PNG
(CHEMBL3410217)
Show SMILES Cc1nc(cn1-c1ccc(cc1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-11-16(9-10-21-14)3-6-18-13-23(15(2)22-18)19-7-4-17(12-20)5-8-19/h4-5,7-11,13H,1-2H3
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83n/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))
BDBM50071334
PNG
(CHEMBL3410216)
Show SMILES Cc1nc(cn1-c1cccc(c1)C#N)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H14N4/c1-14-10-16(8-9-21-14)6-7-18-13-23(15(2)22-18)19-5-3-4-17(11-19)12-20/h3-5,8-11,13H,1-2H3
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90n/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))
BDBM50071326
PNG
(CHEMBL3410211)
Show SMILES Cc1cccc(n1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C18H13N3O/c1-13-5-4-6-14(20-13)9-10-15-17-11-22-18-8-3-2-7-16(18)21(17)12-19-15/h2-8,12H,11H2,1H3
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213n/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))
BDBM50318370
PNG
((E)-3-(pyridin-3-ylethynyl)cyclohex-2-enone O-meth...)
Show SMILES CO\N=C1/CCCC(=C1)C#Cc1cccnc1 |c:7|
Show InChI InChI=1S/C14H14N2O/c1-17-16-14-6-2-4-12(10-14)7-8-13-5-3-9-15-11-13/h3,5,9-11H,2,4,6H2,1H3/b16-14+
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252n/an/an/an/an/an/an/an/a



ETH Zurich

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from mGluR5 in Sprague-Dawley rat brain P2 membrane after 45 mins by beta counting


J Med Chem 53: 4009-17 (2010)


Article DOI: 10.1021/jm901850k
BindingDB Entry DOI: 10.7270/Q2T72HMH
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50071367
PNG
(CHEMBL3410218)
Show SMILES Cc1nc(cn1-c1cccc(c1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-11-16(9-10-20-14)7-8-17-13-22(15(2)21-17)18-5-4-6-19(12-18)25(3,23)24/h4-6,9-13H,1-3H3
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252n/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))
BDBM50071327
PNG
(CHEMBL3410212)
Show SMILES C1Oc2ccccc2-n2cnc(C#Cc3cccnc3)c12
Show InChI InChI=1S/C17H11N3O/c1-2-6-17-15(5-1)20-12-19-14(16(20)11-21-17)8-7-13-4-3-9-18-10-13/h1-6,9-10,12H,11H2
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255n/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))
BDBM50071377
PNG
(CHEMBL3407528)
Show SMILES CN1Cc2c(ncn2-c2ccc(F)cc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C20H14FN3O/c1-23-12-19-17(9-7-14-5-3-2-4-6-14)22-13-24(19)18-10-8-15(21)11-16(18)20(23)25/h2-6,8,10-11,13H,12H2,1H3
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368n/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))
BDBM50071378
PNG
(CHEMBL3410225)
Show SMILES Fc1ccc-2c(c1)-c1ncnn1Cc1c(ncn-21)C#Cc1ccccc1
Show InChI InChI=1S/C20H12FN5/c21-15-7-9-18-16(10-15)20-22-12-24-26(20)11-19-17(23-13-25(18)19)8-6-14-4-2-1-3-5-14/h1-5,7,9-10,12-13H,11H2
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559n/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))
BDBM50071368
PNG
(CHEMBL3410219)
Show SMILES Cc1nc(cn1-c1ccc(cc1)S(C)(=O)=O)C#Cc1ccnc(C)c1
Show InChI InChI=1S/C19H17N3O2S/c1-14-12-16(10-11-20-14)4-5-17-13-22(15(2)21-17)18-6-8-19(9-7-18)25(3,23)24/h6-13H,1-3H3
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567n/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))
BDBM50071373
PNG
(CHEMBL3410222)
Show SMILES CN1Cc2c(ncn2-c2cccc(Cl)c2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C20H14ClN3O/c1-23-12-18-16(11-10-14-6-3-2-4-7-14)22-13-24(18)17-9-5-8-15(21)19(17)20(23)25/h2-9,13H,12H2,1H3
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1.44E+3n/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))
BDBM50071323
PNG
(CHEMBL3410208)
Show SMILES Cc1ccccc1C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-6-2-3-7-15(14)10-11-16-18-12-22-19-9-5-4-8-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3
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1.77E+3n/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))
BDBM50071325
PNG
(CHEMBL3410210)
Show SMILES Cc1ccc(cc1)C#Cc1ncn-2c1COc1ccccc-21
Show InChI InChI=1S/C19H14N2O/c1-14-6-8-15(9-7-14)10-11-16-18-12-22-19-5-3-2-4-17(19)21(18)13-20-16/h2-9,13H,12H2,1H3
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KEGG

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2.84E+3n/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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n/an/a 7n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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))
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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n/an/a 9n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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))
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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n/an/a 10n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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))
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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n/an/a 11n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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))
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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n/an/a 12n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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))
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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KEGG

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n/an/a 13n/an/an/an/an/an/a



Roche Pharmaceutical Research and Early Development

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 (unknown origin) expressed in HEK293 cells assessed as inhibition of L-AP4-induced calcium mobilization incub...


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
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