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Compile Data Set for Download or QSAR

Found 111 hits with Last Name = 'gasparini' and Initial = 'f'   
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))
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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1.70n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(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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1.80n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
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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3.5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50123005
PNG
(2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...)
Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3
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10n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50123005
PNG
(2-(3-Methoxy-phenylethynyl)-6-methyl-pyridine | 2-...)
Show SMILES COc1cccc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C15H13NO/c1-12-5-3-7-14(16-12)10-9-13-6-4-8-15(11-13)17-2/h3-8,11H,1-2H3
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11n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(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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19n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
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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20n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107108
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-[2-(9H-xanth...)
Show SMILES NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19?/m1/s1
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85n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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160n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50007548
PNG
((S)-2-Amino-4-phosphono-butyric acid | (S)-2-amino...)
Show SMILES N[C@@H](CCP(O)(O)=O)C(O)=O |r|
Show InChI InChI=1S/C4H10NO5P/c5-3(4(6)7)1-2-11(8,9)10/h3H,1-2,5H2,(H,6,7)(H2,8,9,10)/t3-/m0/s1
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1.90E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107109
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-(9H-xanthen-...)
Show SMILES NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)/t13-,16+,17+,18?/m1/s1
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2.70E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM17657
PNG
((2S)-2-aminopentanedioic acid | (S)-Glu | D-Glutam...)
Show SMILES N[C@@H](CCC(O)=O)C(O)=O
Show InChI InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1
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3.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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7.40E+3n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Rattus norvegicus (Rat))
BDBM50094186
PNG
((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...)
Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3/t9?,11?,13-/m0/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from mGluR5 in rat brain membrane


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207811
PNG
((2S,1'R,2'S,3'R)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m0/s1
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2.40E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50207814
PNG
((2S,1'R,2'S)-2-(2'-phosphonocyclopropyl)glycine | ...)
Show SMILES NC([C@H]1C[C@@H]1P(O)(O)=O)C(O)=O
Show InChI InChI=1S/C5H10NO5P/c6-4(5(7)8)2-1-3(2)12(9,10)11/h2-4H,1,6H2,(H,7,8)(H2,9,10,11)/t2-,3-,4?/m0/s1
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6.30E+4n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50094186
PNG
((-)1aS,7aS -2-Hydroxyimino-1a,2-dihydro-1H-7-oxa-c...)
Show SMILES CCOC(=O)[C@]12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3/t9?,11?,13-/m0/s1
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>1.00E+5n/an/an/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]ABP688 from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50207811
PNG
((2S,1'R,2'S,3'R)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@H]1[C@@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m0/s1
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1.30E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 8


(Rattus norvegicus (Rat))
BDBM50207812
PNG
((2S,1'R,2'S,3'S)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8-,9?,10+/m1/s1
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1.90E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]LY341495 from rat recombinant mGluR8 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207812
PNG
((2S,1'R,2'S,3'S)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@H]1[C@H]([C@@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8-,9?,10+/m1/s1
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6.30E+5n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207813
PNG
((2S,1'S,2'R,3'S)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@@H]1[C@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8+,9?,10-/m1/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Rattus norvegicus (Rat))
BDBM50207810
PNG
((2S,1'S,2'R,3'R)-2-(2'-phosphono-3'-phenylcyclopro...)
Show SMILES NC([C@@H]1[C@@H]([C@H]1P(O)(O)=O)c1ccccc1)C(O)=O
Show InChI InChI=1S/C11H14NO5P/c12-9(11(13)14)8-7(10(8)18(15,16)17)6-4-2-1-3-5-6/h1-5,7-10H,12H2,(H,13,14)(H2,15,16,17)/t7-,8-,9?,10+/m0/s1
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>1.00E+6n/an/an/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Displacement of [3H]L-AP4 from rat recombinant mGluR4 expressed in BHK cells by SPA assay


Bioorg Med Chem 15: 3161-70 (2007)


Article DOI: 10.1016/j.bmc.2007.02.040
BindingDB Entry DOI: 10.7270/Q2CN74RR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
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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n/an/a 2.30n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of glutamate-induced calcium release


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
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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n/an/a 2.40n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Activity at human recombinant mGluR5 expressed in L(tk-) cells assessed as inhibition of quisqualate-induced phosphoinositol accumulation


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50404013
PNG
(CHEMBL2112677)
Show SMILES COCc1cccc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H15NO/c1-13-5-3-8-16(17-13)10-9-14-6-4-7-15(11-14)12-18-2/h3-8,11H,12H2,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro binding affinity for displacement of [3H]-M-MPEP from membrane of L(-tk) cells expressing the Metabotropic glutamate receptor 5, acti...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
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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n/an/a 7n/an/an/an/an/an/a



Novartis Institutes for BioMedical Research

Curated by ChEMBL


Assay Description
Displacement of [3H]M-MPEP from human mGluR5 receptor expressed in L (tk-) cells


Bioorg Med Chem 15: 903-14 (2006)


Article DOI: 10.1016/j.bmc.2006.10.038
BindingDB Entry DOI: 10.7270/Q25D8SNC
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50404013
PNG
(CHEMBL2112677)
Show SMILES COCc1cccc(c1)C#Cc1cccc(C)n1
Show InChI InChI=1S/C16H15NO/c1-13-5-3-8-16(17-13)10-9-14-6-4-7-15(11-14)12-18-2/h3-8,11H,12H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro binding affinity for displacement of [3H]-M-MPEP from membrane of L(-tk) cells expressing the Metabotropic glutamate receptor 5, acti...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]glutamate against rat recombinant mGluR3 receptors expressed in HEK293 cells


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 20n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity of compound against recombinant Metabotropic glutamate receptor 5 evaluated as inhibition of quisqualate-stimulated ...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084137
PNG
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)
Show SMILES Cc1cccc(n1)C#Cc1ccccc1
Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3
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n/an/a 36n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity of compound against recombinant Metabotropic glutamate receptor 5 evaluated as inhibition of quisqualate-stimulated ...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50107108
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-[2-(9H-xanth...)
Show SMILES NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19?/m1/s1
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n/an/a 75n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]glutamate against rat recombinant Metabotropic glutamate receptor 3 expressed in HEK293 c...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50062522
PNG
((1S,2S)-2-((S)-1-amino-1-carboxy-2-(9H-xanthen-9-y...)
Show SMILES N[C@@](CC1c2ccccc2Oc2ccccc12)([C@H]1C[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-20(19(24)25,15-9-13(15)18(22)23)10-14-11-5-1-3-7-16(11)26-17-8-4-2-6-12(14)17/h1-8,13-15H,9-10,21H2,(H,22,23)(H,24,25)/t13-,15-,20-/m0/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human mGluR2


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107108
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-[2-(9H-xanth...)
Show SMILES NC([C@H]1[C@@H](CCC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C21H21NO5/c22-19(21(25)26)17-14(18(17)20(23)24)10-9-11-12-5-1-3-7-15(12)27-16-8-4-2-6-13(11)16/h1-8,11,14,17-19H,9-10,22H2,(H,23,24)(H,25,26)/t14-,17+,18+,19?/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50409037
PNG
(CHEMBL2111944)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C21H20N2O5/c1-27-19(24)16(11-13-7-3-2-4-8-13)22-20(25)21-12-15(21)18(23-26)14-9-5-6-10-17(14)28-21/h2-10,15-16,18H,11-12H2,1H3,(H,22,25)/t15-,16-,18?,21-/m0/s1
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n/an/a 430n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50409038
PNG
(CHEMBL2111943)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@]12C[C@@H]1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C21H20N2O5/c1-27-19(24)16(11-13-7-3-2-4-8-13)22-20(25)21-12-15(21)18(23-26)14-9-5-6-10-17(14)28-21/h2-10,15-16,18H,11-12H2,1H3,(H,22,25)/t15-,16-,18?,21-/m1/s1
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n/an/a 930n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis Measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084141
PNG
((E)-2-methyl-6-styrylpyridine | 2-Methyl-6-((E)-st...)
Show SMILES Cc1cccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
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n/an/a 1.10E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Tested in vitro binding affinity for displacement of [3H]-M-MPEP from membrane of L(-tk) cells expressing the Metabotropic glutamate receptor 5, acti...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50094187
PNG
((+)1aR,7aR -2-[(2-Hydroxyimino-1a,2-dihydro-1H-7-o...)
Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C21H20N2O5/c1-27-19(24)16(11-13-7-3-2-4-8-13)22-20(25)21-12-15(21)18(23-26)14-9-5-6-10-17(14)28-21/h2-10,15-16,18H,11-12H2,1H3,(H,22,25)/t15?,16-,18?,21?/m0/s1
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n/an/a 1.20E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50107109
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-(9H-xanthen-...)
Show SMILES NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)/t13-,16+,17+,18?/m1/s1
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n/an/a 1.30E+3n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Compound was evaluated for the inhibition of binding of [3H]glutamate against rat recombinant Metabotropic glutamate receptor 3 expressed in HEK293 c...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50094188
PNG
((+)1aR,7aR -2-[(2-Hydroxyimino-1a,2-dihydro-1H-7-o...)
Show SMILES COC(=O)[C@@H](Cc1ccccc1)NC(=O)C12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C21H20N2O5/c1-27-19(24)16(11-13-7-3-2-4-8-13)22-20(25)21-12-15(21)18(23-26)14-9-5-6-10-17(14)28-21/h2-10,15-16,18H,11-12H2,1H3,(H,22,25)/t15?,16-,18?,21?/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50409036
PNG
(CHEMBL2111945)
Show SMILES CCOC(=O)[C@]12C[C@H]1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3/t9-,11?,13-/m0/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50084141
PNG
((E)-2-methyl-6-styrylpyridine | 2-Methyl-6-((E)-st...)
Show SMILES Cc1cccc(\C=C\c2ccccc2)n1
Show InChI InChI=1S/C14H13N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-11H,1H3/b11-10+
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n/an/a 3.00E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
In vitro for inhibitory activity of compound against recombinant Metabotropic glutamate receptor 5 evaluated as inhibition of quisqualate-stimulated ...


Bioorg Med Chem Lett 12: 407-9 (2002)


BindingDB Entry DOI: 10.7270/Q21C1W6J
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM86213
PNG
(CAS_5126051 | CHEMBL327783 | CPCCOEt | NSC_5126051)
Show SMILES CCOC(=O)C12CC1C(N=O)c1ccccc1O2
Show InChI InChI=1S/C13H13NO4/c1-2-17-12(15)13-7-9(13)11(14-16)8-5-3-4-6-10(8)18-13/h3-6,9,11H,2,7H2,1H3
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n/an/a 3.40E+3n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Inhibition of Quisqualate-Induced PI Hydrolysis measured in CHO Metabotropic glutamate receptor 1 Expressing Cells


J Med Chem 43: 4428-36 (2000)


BindingDB Entry DOI: 10.7270/Q2988688
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50107109
PNG
((1S,2S,3R)-2-(Amino-carboxy-methyl)-3-(9H-xanthen-...)
Show SMILES NC([C@H]1[C@@H](CC2c3ccccc3Oc3ccccc23)[C@@H]1C(O)=O)C(O)=O
Show InChI InChI=1S/C20H19NO5/c21-18(20(24)25)16-13(17(16)19(22)23)9-12-10-5-1-3-7-14(10)26-15-8-4-2-6-11(12)15/h1-8,12-13,16-18H,9,21H2,(H,22,23)(H,24,25)/t13-,16+,17+,18?/m1/s1
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n/an/a 6.40E+3n/an/an/an/an/an/a



Universit£ di Perugia

Curated by ChEMBL


Assay Description
Antagonistic activity against stimulation of GTP (gamma) 35 S binding by glutamate in membranes from CHO cells expressing human Metabotropic glutamat...


Bioorg Med Chem Lett 11: 3179-82 (2001)


BindingDB Entry DOI: 10.7270/Q27M08H1
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50089514
PNG
(1-Amino-3-phosphono-cyclopent-2-enecarboxylic acid...)
Show SMILES NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h3H,1-2,7H2,(H,8,9)(H2,10,11,12)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was tested on Human mGlu4a receptor expressed in recombinant mammalian cells by GTPgammaS binding assay


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50089515
PNG
(1-Amino-3-phosphono-cyclopent-3-enecarboxylic acid...)
Show SMILES NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)
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Università di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was tested on Human mGlu4 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50089515
PNG
(1-Amino-3-phosphono-cyclopent-3-enecarboxylic acid...)
Show SMILES NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)
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Università di Perugia

Curated by ChEMBL


Assay Description
Agonistic activity of the compound was tested on Human mGlu4a receptor expressed in recombinant mammalian cells by GTPgammaS binding assay; Partial a...


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4


(Homo sapiens (Human))
BDBM50089514
PNG
(1-Amino-3-phosphono-cyclopent-2-enecarboxylic acid...)
Show SMILES NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h3H,1-2,7H2,(H,8,9)(H2,10,11,12)
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Università di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was tested on Human mGlu4 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089514
PNG
(1-Amino-3-phosphono-cyclopent-2-enecarboxylic acid...)
Show SMILES NC1(CCC(=C1)P(O)(O)=O)C(O)=O |c:4|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h3H,1-2,7H2,(H,8,9)(H2,10,11,12)
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n/an/a>2.00E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound was tested on Human mGlu2 receptor expressed in recombinant mammalian cells by GTPgammaS binding assay


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50089515
PNG
(1-Amino-3-phosphono-cyclopent-3-enecarboxylic acid...)
Show SMILES NC1(CC=C(C1)P(O)(O)=O)C(O)=O |c:3|
Show InChI InChI=1S/C6H10NO5P/c7-6(5(8)9)2-1-4(3-6)13(10,11)12/h1H,2-3,7H2,(H,8,9)(H2,10,11,12)
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n/an/a>3.00E+5n/an/an/an/an/an/a



Università di Perugia

Curated by ChEMBL


Assay Description
Inhibition of forskolin-stimulated cAMP accumulation in CHO cells expressing hmGlu4a


Bioorg Med Chem Lett 10: 1447-50 (2000)


BindingDB Entry DOI: 10.7270/Q2VT1R95
More data for this
Ligand-Target Pair
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