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Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'aksenova' and Initial = 'e'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(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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12n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


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



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231755
PNG
(6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...)
Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
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51n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231728
PNG
(5-methoxy-2-phenylethynyl-5,6,7,8-tetrahydro-quino...)
Show SMILES COC1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C18H17NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,18H,5,8-9H2,1H3
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139n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231738
PNG
(7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-...)
Show SMILES CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1
Show InChI InChI=1S/C18H16N2O/c1-18(2)11-16-15(17(21)12-18)9-8-14(20-16)7-6-13-5-3-4-10-19-13/h3-5,8-10H,11-12H2,1-2H3
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210n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231741
PNG
(2-phenylethynyl-7,8-dihydro-6H-quinolin-5-one | CH...)
Show SMILES O=C1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C17H13NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12H,4,7-8H2
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800n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231751
PNG
(6-phenylethynyl-nicotinic acid methyl ester | CHEM...)
Show SMILES COC(=O)c1ccc(nc1)C#Cc1ccccc1
Show InChI InChI=1S/C15H11NO2/c1-18-15(17)13-8-10-14(16-11-13)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
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1.40E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231753
PNG
(2-phenylethynyl-5,6,7,8-tetrahydro-quinoline | CHE...)
Show SMILES C1CCc2nc(ccc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C17H15N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-3,6-7,11,13H,4-5,8-9H2
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1.50E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231721
PNG
(2-pyridin-2-ylethynyl-7,8-dihydro-6H-quinolin-5-on...)
Show SMILES O=C1CCCc2nc(ccc12)C#Cc1ccccn1
Show InChI InChI=1S/C16H12N2O/c19-16-6-3-5-15-14(16)10-9-13(18-15)8-7-12-4-1-2-11-17-12/h1-2,4,9-11H,3,5-6H2
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2.36E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231747
PNG
((R)-2-phenylethynyl-5,6,7,8-tetrahydro-quinolin-5-...)
Show SMILES O[C@@H]1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2/t17-/m1/s1
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4.71E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231719
PNG
(2-phenylethynyl-5,6,7,8-tetrahydro-quinolin-5-ol |...)
Show SMILES OC1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2
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7.60E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231759
PNG
((S)-2-phenylethynyl-5,6,7,8-tetrahydro-quinolin-5-...)
Show SMILES O[C@H]1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C17H15NO/c19-17-8-4-7-16-15(17)12-11-14(18-16)10-9-13-5-2-1-3-6-13/h1-3,5-6,11-12,17,19H,4,7-8H2/t17-/m0/s1
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9.28E+3n/an/an/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231750
PNG
((3-ethyl-2-methylquinolin-6-yl)(4-methoxycyclohexy...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231744
PNG
(CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1
Show InChI InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
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n/an/a 5n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231749
PNG
(6-ethyl-5-methyl-3-(1,2,4,5-tetrahydrobenzo[d]azep...)
Show SMILES CCc1nc(C#N)c(nc1C)N1CCc2ccccc2CC1
Show InChI InChI=1S/C18H20N4/c1-3-16-13(2)20-18(17(12-19)21-16)22-10-8-14-6-4-5-7-15(14)9-11-22/h4-7H,3,8-11H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231755
PNG
(6,6-dimethyl-2-phenylethynyl-7,8-dihydro-6H-quinol...)
Show SMILES CC1(C)CCc2nc(ccc2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17NO/c1-19(2)13-12-17-16(18(19)21)11-10-15(20-17)9-8-14-6-4-3-5-7-14/h3-7,10-11H,12-13H2,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231748
PNG
(CHEMBL253347 | quinoline-3-carboxylic acid adamant...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2c1
Show InChI InChI=1S/C20H22N2O/c23-19(17-8-16-3-1-2-4-18(16)21-12-17)22-20-9-13-5-14(10-20)7-15(6-13)11-20/h1-4,8,12-15H,5-7,9-11H2,(H,22,23)
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n/an/a 52n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231758
PNG
(2-cyclopentylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetr...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(NC3CCCC3)nc2C1
Show InChI InChI=1S/C17H21N3O/c1-17(2)8-14-13(15(21)9-17)7-11(10-18)16(20-14)19-12-5-3-4-6-12/h7,12H,3-6,8-9H2,1-2H3,(H,19,20)
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n/an/a 78n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231728
PNG
(5-methoxy-2-phenylethynyl-5,6,7,8-tetrahydro-quino...)
Show SMILES COC1CCCc2nc(ccc12)C#Cc1ccccc1
Show InChI InChI=1S/C18H17NO/c1-20-18-9-5-8-17-16(18)13-12-15(19-17)11-10-14-6-3-2-4-7-14/h2-4,6-7,12-13,18H,5,8-9H2,1H3
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n/an/a 80n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231757
PNG
(2-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1
Show InChI InChI=1S/C23H22FN3O/c1-23(2)12-20-19(21(28)13-23)11-17(14-25)22(26-20)27-9-7-16(8-10-27)15-3-5-18(24)6-4-15/h3-7,11H,8-10,12-13H2,1-2H3
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n/an/a 110n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231743
PNG
(7,7-dimethyl-5-oxo-2-(4-phenyl-piperazin-1-yl)-5,6...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C22H24N4O/c1-22(2)13-19-18(20(27)14-22)12-16(15-23)21(24-19)26-10-8-25(9-11-26)17-6-4-3-5-7-17/h3-7,12H,8-11,13-14H2,1-2H3
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n/an/a 130n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231764
PNG
(2-[4-(4-fluoro-phenyl)-piperazin-1-yl]-7,7-dimethy...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C22H23FN4O/c1-22(2)12-19-18(20(28)13-22)11-15(14-24)21(25-19)27-9-7-26(8-10-27)17-5-3-16(23)4-6-17/h3-6,11H,7-10,12-13H2,1-2H3
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n/an/a 160n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231752
PNG
(CHEMBL399161 | quinoline-2-carboxylic acid adamant...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2ccccc2n1
Show InChI InChI=1S/C20H22N2O/c23-19(18-6-5-16-3-1-2-4-17(16)21-18)22-20-10-13-7-14(11-20)9-15(8-13)12-20/h1-6,13-15H,7-12H2,(H,22,23)
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n/an/a 440n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231753
PNG
(2-phenylethynyl-5,6,7,8-tetrahydro-quinoline | CHE...)
Show SMILES C1CCc2nc(ccc2C1)C#Cc1ccccc1
Show InChI InChI=1S/C17H15N/c1-2-6-14(7-3-1)10-12-16-13-11-15-8-4-5-9-17(15)18-16/h1-3,6-7,11,13H,4-5,8-9H2
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n/an/a 510n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50003013
PNG
(CHEMBL401270)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCC(=CC1)c1ccccc1
Show InChI InChI=1S/C23H23N3O/c1-23(2)13-20-19(21(27)14-23)12-18(15-24)22(25-20)26-10-8-17(9-11-26)16-6-4-3-5-7-16/h3-8,12H,9-11,13-14H2,1-2H3
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n/an/a<1.00E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231742
PNG
(2-(3,4-dihydro-1H-isoquinolin-2-yl)-7,7-dimethyl-5...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(nc2C1)N1CCc2ccccc2C1
Show InChI InChI=1S/C21H21N3O/c1-21(2)10-18-17(19(25)11-21)9-16(12-22)20(23-18)24-8-7-14-5-3-4-6-15(14)13-24/h3-6,9H,7-8,10-11,13H2,1-2H3
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n/an/a 1.50E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231736
PNG
(2-butylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro...)
Show SMILES CCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
Show InChI InChI=1S/C16H21N3O/c1-4-5-6-18-15-11(10-17)7-12-13(19-15)8-16(2,3)9-14(12)20/h7H,4-6,8-9H2,1-3H3,(H,18,19)
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n/an/a 1.70E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231740
PNG
(2-benzyloxy-7,8-dihydro-6H-quinolin-5-one | CHEMBL...)
Show SMILES O=C1CCCc2nc(OCc3ccccc3)ccc12
Show InChI InChI=1S/C16H15NO2/c18-15-8-4-7-14-13(15)9-10-16(17-14)19-11-12-5-2-1-3-6-12/h1-3,5-6,9-10H,4,7-8,11H2
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231735
PNG
(2-(indan-2-ylamino)-7,7-dimethyl-5-oxo-5,6,7,8-tet...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(NC3Cc4ccccc4C3)nc2C1
Show InChI InChI=1S/C21H21N3O/c1-21(2)10-18-17(19(25)11-21)9-15(12-22)20(24-18)23-16-7-13-5-3-4-6-14(13)8-16/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,23,24)
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n/an/a 1.90E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231733
PNG
(7,7-dimethyl-5-oxo-2-propylamino-5,6,7,8-tetrahydr...)
Show SMILES CCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
Show InChI InChI=1S/C15H19N3O/c1-4-5-17-14-10(9-16)6-11-12(18-14)7-15(2,3)8-13(11)19/h6H,4-5,7-8H2,1-3H3,(H,17,18)
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n/an/a 2.30E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231720
PNG
(2-benzylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydr...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(NCc3ccccc3)nc2C1
Show InChI InChI=1S/C19H19N3O/c1-19(2)9-16-15(17(23)10-19)8-14(11-20)18(22-16)21-12-13-6-4-3-5-7-13/h3-8H,9-10,12H2,1-2H3,(H,21,22)
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n/an/a 2.50E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231722
PNG
(2-hexylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro...)
Show SMILES CCCCCCNc1nc2CC(C)(C)CC(=O)c2cc1C#N
Show InChI InChI=1S/C18H25N3O/c1-4-5-6-7-8-20-17-13(12-19)9-14-15(21-17)10-18(2,3)11-16(14)22/h9H,4-8,10-11H2,1-3H3,(H,20,21)
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231738
PNG
(7,7-dimethyl-2-pyridin-2-ylethynyl-7,8-dihydro-6H-...)
Show SMILES CC1(C)CC(=O)c2ccc(nc2C1)C#Cc1ccccn1
Show InChI InChI=1S/C18H16N2O/c1-18(2)11-16-15(17(21)12-18)9-8-14(20-16)7-6-13-5-3-4-10-19-13/h3-5,8-10H,11-12H2,1-2H3
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n/an/a 2.60E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231730
PNG
(2-cyclohexylamino-5-oxo-5,6,7,8-tetrahydroquinolin...)
Show SMILES O=C1CCCc2nc(NC3CCCCC3)c(cc12)C#N
Show InChI InChI=1S/C16H19N3O/c17-10-11-9-13-14(7-4-8-15(13)20)19-16(11)18-12-5-2-1-3-6-12/h9,12H,1-8H2,(H,18,19)
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n/an/a 3.00E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231756
PNG
(2-cyclohexylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetra...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(NC3CCCCC3)nc2C1
Show InChI InChI=1S/C18H23N3O/c1-18(2)9-15-14(16(22)10-18)8-12(11-19)17(21-15)20-13-6-4-3-5-7-13/h8,13H,3-7,9-10H2,1-2H3,(H,20,21)
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n/an/a 4.00E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231751
PNG
(6-phenylethynyl-nicotinic acid methyl ester | CHEM...)
Show SMILES COC(=O)c1ccc(nc1)C#Cc1ccccc1
Show InChI InChI=1S/C15H11NO2/c1-18-15(17)13-8-10-14(16-11-13)9-7-12-5-3-2-4-6-12/h2-6,8,10-11H,1H3
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n/an/a 4.60E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231723
PNG
(2-benzylsulfanyl-7,7-dimethyl-5-oxo-5,6,7,8-tetrah...)
Show SMILES CC1(C)CC(=O)c2cc(C#N)c(SCc3ccccc3)nc2C1
Show InChI InChI=1S/C19H18N2OS/c1-19(2)9-16-15(17(22)10-19)8-14(11-20)18(21-16)23-12-13-6-4-3-5-7-13/h3-8H,9-10,12H2,1-2H3
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n/an/a 4.80E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231760
PNG
(2-(benzyl-methyl-amino)-7,7-dimethyl-5-oxo-5,6,7,8...)
Show SMILES CN(Cc1ccccc1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
Show InChI InChI=1S/C20H21N3O/c1-20(2)10-17-16(18(24)11-20)9-15(12-21)19(22-17)23(3)13-14-7-5-4-6-8-14/h4-9H,10-11,13H2,1-3H3
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n/an/a 5.30E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231727
PNG
(CHEMBL253348 | cid_2931812 | pyrazine-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnccn1
Show InChI InChI=1S/C15H19N3O/c19-14(13-9-16-1-2-17-13)18-15-6-10-3-11(7-15)5-12(4-10)8-15/h1-2,9-12H,3-8H2,(H,18,19)
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n/an/a 7.00E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231731
PNG
(2-azepanyl-5-oxo-5,6,7,8-tetrahydroquinoline-3-car...)
Show SMILES O=C1CCCc2nc(NC3CCCCCC3)c(cc12)C#N
Show InChI InChI=1S/C17H21N3O/c18-11-12-10-14-15(8-5-9-16(14)21)20-17(12)19-13-6-3-1-2-4-7-13/h10,13H,1-9H2,(H,19,20)
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n/an/a 7.40E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231746
PNG
(2-[4-(4-methoxy-phenyl)-piperazin-1-yl]-7,7-dimeth...)
Show SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2CC(C)(C)CC(=O)c2cc1C#N
Show InChI InChI=1S/C23H26N4O2/c1-23(2)13-20-19(21(28)14-23)12-16(15-24)22(25-20)27-10-8-26(9-11-27)17-4-6-18(29-3)7-5-17/h4-7,12H,8-11,13-14H2,1-3H3
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n/an/a 7.60E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231724
PNG
(3-chloro-2-cyclopentylamino-7,7-dimethyl-7,8-dihyd...)
Show SMILES CC1(C)CC(=O)c2cc(Cl)c(NC3CCCC3)nc2C1
Show InChI InChI=1S/C16H21ClN2O/c1-16(2)8-13-11(14(20)9-16)7-12(17)15(19-13)18-10-5-3-4-6-10/h7,10H,3-6,8-9H2,1-2H3,(H,18,19)
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n/an/a 7.90E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 by FLIPR assay


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50231729
PNG
(2-benzylamino-7,7-dimethyl-7,8-dihydro-6H-quinolin...)
Show SMILES CC1(C)CC(=O)c2ccc(NCc3ccccc3)nc2C1
Show InChI InChI=1S/C18H20N2O/c1-18(2)10-15-14(16(21)11-18)8-9-17(20-15)19-12-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3,(H,19,20)
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n/an/a 8.10E+3n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231739
PNG
(2-(4-phenyl-piperazin-1-yl)-7,8-dihydro-6H-quinoli...)
Show SMILES O=C1CCCc2nc(ccc12)N1CCN(CC1)c1ccccc1
Show InChI InChI=1S/C19H21N3O/c23-18-8-4-7-17-16(18)9-10-19(20-17)22-13-11-21(12-14-22)15-5-2-1-3-6-15/h1-3,5-6,9-10H,4,7-8,11-14H2
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n/an/a 1.04E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231732
PNG
(7,7-dimethyl-3-nitro-2-(4-phenyl-3,6-dihydro-2H-py...)
Show SMILES CC1(C)CC(=O)c2cc(c(NC3CCC(=CC3)c3ccc(F)cc3)nc2C1)[N+]([O-])=O
Show InChI InChI=1S/C23H24FN3O3/c1-23(2)12-19-18(21(28)13-23)11-20(27(29)30)22(26-19)25-17-9-5-15(6-10-17)14-3-7-16(24)8-4-14/h3-5,7-8,11,17H,6,9-10,12-13H2,1-2H3,(H,25,26)
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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 by FLIPR assay


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50371237
PNG
(CHEMBL1204390)
Show SMILES CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1
Show InChI InChI=1S/C18H19NO2/c1-18(2)10-15-14(16(20)11-18)8-9-17(19-15)21-12-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3
PDB
MMDB

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KEGG

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n/an/a 1.20E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Displacement of [3H]MPEP from rat mGluR5


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231765
PNG
(2-(cyclopentylamino)-7,7-dimethyl-3-(2H-tetrazol-5...)
Show SMILES CC1(C)CC(=O)c2cc(-c3nnn[nH]3)c(NC3CCCC3)nc2C1
Show InChI InChI=1S/C17H22N6O/c1-17(2)8-13-11(14(24)9-17)7-12(16-20-22-23-21-16)15(19-13)18-10-5-3-4-6-10/h7,10H,3-6,8-9H2,1-2H3,(H,18,19)(H,20,21,22,23)
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n/an/a 1.30E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 by FLIPR assay


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231766
PNG
(2-[4-(4-fluoro-phenyl)-3,6-dihydro-2H-pyridin-1-yl...)
Show SMILES CC1(C)CC(=O)c2cc(N3CCOCC3)c(nc2C1)N1CCC(=CC1)c1ccc(F)cc1
Show InChI InChI=1S/C26H30FN3O2/c1-26(2)16-22-21(24(31)17-26)15-23(29-11-13-32-14-12-29)25(28-22)30-9-7-19(8-10-30)18-3-5-20(27)6-4-18/h3-7,15H,8-14,16-17H2,1-2H3
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n/an/a 1.50E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 by FLIPR assay


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50231725
PNG
(2-cyclopentylamino-7,7-dimethyl-5-oxo-5,6,7,8-tetr...)
Show SMILES CN(C)C(=O)c1cc2C(=O)CC(C)(C)Cc2nc1NC1CCCC1
Show InChI InChI=1S/C19H27N3O2/c1-19(2)10-15-13(16(23)11-19)9-14(18(24)22(3)4)17(21-15)20-12-7-5-6-8-12/h9,12H,5-8,10-11H2,1-4H3,(H,20,21)
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 by FLIPR assay


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50371237
PNG
(CHEMBL1204390)
Show SMILES CC1(C)CC(=O)c2ccc(OCc3ccccc3)nc2C1
Show InChI InChI=1S/C18H19NO2/c1-18(2)10-15-14(16(20)11-18)8-9-17(19-15)21-12-13-6-4-3-5-7-13/h3-9H,10-12H2,1-2H3
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n/an/a 2.10E+4n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
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