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Compile Data Set for Download or QSAR

Found 568 hits with Last Name = 'vinson' and Initial = 'pn'   
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))
BDBM50392432
PNG
(CHEMBL2151817)
Show SMILES C[C@@H](NC(=O)c1ccc(OCc2cccc(F)c2)nc1)C(C)(C)C |r|
Show InChI InChI=1S/C19H23FN2O2/c1-13(19(2,3)4)22-18(23)15-8-9-17(21-11-15)24-12-14-6-5-7-16(20)10-14/h5-11,13H,12H2,1-4H3,(H,22,23)/t13-/m1/s1
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153n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50337958
PNG
(CHEMBL1684242 | N-cyclobutyl-6-((3-fluorophenyl)et...)
Show SMILES Fc1cccc(c1)C#Cc1ccc(cn1)C(=O)NC1CCC1
Show InChI InChI=1S/C18H15FN2O/c19-15-4-1-3-13(11-15)7-9-16-10-8-14(12-20-16)18(22)21-17-5-2-6-17/h1,3-4,8,10-12,17H,2,5-6H2,(H,21,22)
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195n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50339075
PNG
(Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...)
Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2
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440n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 receptor


ACS Med Chem Lett 1: 433-438 (2010)


Article DOI: 10.1021/ml100181a
BindingDB Entry DOI: 10.7270/Q2DJ5FX7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM44464
PNG
(2-(2-chloro-N-mesyl-anilino)-N-(3-chlorophenyl)ace...)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1)c1ccccc1Cl
Show InChI InChI=1S/C15H14Cl2N2O3S/c1-23(21,22)19(14-8-3-2-7-13(14)17)10-15(20)18-12-6-4-5-11(16)9-12/h2-9H,10H2,1H3,(H,18,20)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402788
PNG
(CHEMBL2208408)
Show SMILES CS(=O)(=O)N(CC(=O)Nc1ccccc1)c1ccccc1Cl
Show InChI InChI=1S/C15H15ClN2O3S/c1-22(20,21)18(14-10-6-5-9-13(14)16)11-15(19)17-12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
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>1.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50402787
PNG
(CHEMBL2208405)
Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
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>3.00E+4n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]-methoxyPEPy from rat mGlu5 receptor expressed in HEK293 cells after 1 hr by scintillation counting analysis


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50392425
PNG
(CHEMBL2151790)
Show SMILES CCCCOc1ccc(cc1)C(=O)Nc1ccc(F)cc1F
Show InChI InChI=1S/C17H17F2NO2/c1-2-3-10-22-14-7-4-12(5-8-14)17(21)20-16-9-6-13(18)11-15(16)19/h4-9,11H,2-3,10H2,1H3,(H,20,21)
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>1.00E+5n/an/an/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Displacement of [3H]methoxyPEPy from rat mGluR5 expressed in human HEK293 cells after 1 hr by scintillation counter


Bioorg Med Chem Lett 22: 6481-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.08.043
BindingDB Entry DOI: 10.7270/Q2KD200S
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50337959
PNG
(2-((3-fluorophenyl)ethynyl)-6-methyl-7,8-dihydro-1...)
Show SMILES CN1CCc2nc(ccc2C1=O)C#Cc1cccc(F)c1
Show InChI InChI=1S/C17H13FN2O/c1-20-10-9-16-15(17(20)21)8-7-14(19-16)6-5-12-3-2-4-13(18)11-12/h2-4,7-8,11H,9-10H2,1H3
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n/an/a 170n/an/an/an/an/an/a



Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity against mGlu5 receptor assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 21: 1350-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.044
BindingDB Entry DOI: 10.7270/Q24B31MX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401091
PNG
(CHEMBL2204436 | CHEMBL2385894)
Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1
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n/an/a 190n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu3 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50332963
PNG
(4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...)
Show SMILES Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
Show InChI InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)
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n/an/a 270n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332963
PNG
(4-(3-(2,6-dimethylpyridin-4-yl)phenyl)-7-methyl-8-...)
Show SMILES Cc1cc(cc(C)n1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F |t:16|
Show InChI InChI=1S/C24H20F3N3O/c1-13-7-21-22(11-19(13)24(25,26)27)30-23(31)12-20(29-21)17-6-4-5-16(10-17)18-8-14(2)28-15(3)9-18/h4-11H,12H2,1-3H3,(H,30,31)
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n/an/a 296n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu2 by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50339075
PNG
(Adamantan-1-yl-(4-pyridin-2-yl-piperazin-1-yl)-met...)
Show SMILES O=C(N1CCN(CC1)c1nccs1)C12CC3CC(CC(C3)C1)C2 |TLB:16:17:14.15.20:21,THB:16:15:21:22.17.18,18:17:14:20.19.21,18:19:14:22.16.17|
Show InChI InChI=1S/C18H25N3OS/c22-16(18-10-13-7-14(11-18)9-15(8-13)12-18)20-2-4-21(5-3-20)17-19-1-6-23-17/h1,6,13-15H,2-5,7-12H2
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n/an/a 540n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 receptor


ACS Med Chem Lett 1: 433-438 (2010)


Article DOI: 10.1021/ml100181a
BindingDB Entry DOI: 10.7270/Q2DJ5FX7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401086
PNG
(CHEMBL2204445)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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n/an/a 660n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as inhibition of glutamate-induced calcium mobilization in presence of Galpha15 by cell based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50337960
PNG
(6-(cyclopropylmethyl)-2-((3-fluorophenyl)ethynyl)-...)
Show SMILES Fc1cccc(c1)C#Cc1ccc2C(=O)N(CC3CC3)CCc2n1
Show InChI InChI=1S/C20H17FN2O/c21-16-3-1-2-14(12-16)6-7-17-8-9-18-19(22-17)10-11-23(20(18)24)13-15-4-5-15/h1-3,8-9,12,15H,4-5,10-11,13H2
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n/an/a 660n/an/an/an/an/an/a



Vanderbilt Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity against mGlu5 receptor assessed as inhibition of calcium mobilization


Bioorg Med Chem Lett 21: 1350-3 (2011)


Article DOI: 10.1016/j.bmcl.2011.01.044
BindingDB Entry DOI: 10.7270/Q24B31MX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50339074
PNG
(Adamantan-1-yl-(4-thiazol-2-yl-piperazin-1-yl)-met...)
Show SMILES O=C(N1CCN(CC1)c1ccccn1)C12CC3CC(CC(C3)C1)C2 |TLB:17:18:15.16.21:22,THB:17:16:22:23.18.19,19:18:15:21.20.22,19:20:15:23.17.18|
Show InChI InChI=1S/C20H27N3O/c24-19(20-12-15-9-16(13-20)11-17(10-15)14-20)23-7-5-22(6-8-23)18-3-1-2-4-21-18/h1-4,15-17H,5-14H2
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n/an/a 990n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Negative allosteric modulation at rat mGluR5 receptor


ACS Med Chem Lett 1: 433-438 (2010)


Article DOI: 10.1021/ml100181a
BindingDB Entry DOI: 10.7270/Q2DJ5FX7
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401086
PNG
(CHEMBL2204445)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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n/an/a 1.48E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401086
PNG
(CHEMBL2204445)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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n/an/a 1.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401085
PNG
(CHEMBL2204446)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1
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n/an/a 2.04E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401085
PNG
(CHEMBL2204446)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401088
PNG
(CHEMBL2204439)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCCC(O)C1
Show InChI InChI=1S/C21H21NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13,19,23H,2-3,14-15H2,1H3
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n/an/a 2.45E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401088
PNG
(CHEMBL2204439)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCCC(O)C1
Show InChI InChI=1S/C21H21NO3/c1-25-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)22-14-2-3-19(23)15-22/h6-13,19,23H,2-3,14-15H2,1H3
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n/an/a 2.50E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401085
PNG
(CHEMBL2204446)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1
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n/an/a 3.24E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401090
PNG
(CHEMBL2204437)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-18(9-5-16)21(24)22-14-12-19(23)13-15-22/h4-11,19,23H,12-15H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401090
PNG
(CHEMBL2204437)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(O)CC1
Show InChI InChI=1S/C21H21NO3/c1-25-20-10-6-17(7-11-20)3-2-16-4-8-18(9-5-16)21(24)22-14-12-19(23)13-15-22/h4-11,19,23H,12-15H2,1H3
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n/an/a 3.80E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401091
PNG
(CHEMBL2204436 | CHEMBL2385894)
Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1
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n/an/a 4.20E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358788
PNG
(CHEMBL1922756)
Show SMILES FC(F)(F)c1ccc(OCC(=O)c2ccc(Cl)nc2)cc1
Show InChI InChI=1S/C14H9ClF3NO2/c15-13-6-1-9(7-19-13)12(20)8-21-11-4-2-10(3-5-11)14(16,17)18/h1-7H,8H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401089
PNG
(CHEMBL2204438)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(C)(O)CC1
Show InChI InChI=1S/C22H23NO3/c1-22(25)13-15-23(16-14-22)21(24)19-9-5-17(6-10-19)3-4-18-7-11-20(26-2)12-8-18/h5-12,25H,13-16H2,1-2H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401089
PNG
(CHEMBL2204438)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC(C)(O)CC1
Show InChI InChI=1S/C22H23NO3/c1-22(25)13-15-23(16-14-22)21(24)19-9-5-17(6-10-19)3-4-18-7-11-20(26-2)12-8-18/h5-12,25H,13-16H2,1-2H3
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n/an/a 5.01E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50441232
PNG
(CHEMBL2431173)
Show SMILES CC1(COC1)NC(=O)c1ccc(cn1)C#Cc1cccc(F)c1
Show InChI InChI=1S/C18H15FN2O2/c1-18(11-23-12-18)21-17(22)16-8-7-14(10-20-16)6-5-13-3-2-4-15(19)9-13/h2-4,7-10H,11-12H2,1H3,(H,21,22)
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n/an/a 5.30E+3n/an/an/an/an/an/a



Vanderbilt University

Curated by ChEMBL


Assay Description
Inhibition of human CYP1A2


J Med Chem 56: 7976-96 (2013)


Article DOI: 10.1021/jm401028t
BindingDB Entry DOI: 10.7270/Q2571DFR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401085
PNG
(CHEMBL2204446)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1
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n/an/a 5.49E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401087
PNG
(CHEMBL2204440)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401087
PNG
(CHEMBL2204440)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50047394
PNG
(CHEMBL3309848)
Show SMILES O=C1CCCn2nc(COc3ccccc3)cc12
Show InChI InChI=1S/C14H14N2O2/c17-14-7-4-8-16-13(14)9-11(15-16)10-18-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,10H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Cytochrome P450 1A


(Homo sapiens (Human))
BDBM50047406
PNG
(CHEMBL3310738)
Show SMILES CC1(C)CCn2nc(COc3ccccc3)cc2C1=O
Show InChI InChI=1S/C16H18N2O2/c1-16(2)8-9-18-14(15(16)19)10-12(17-18)11-20-13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
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n/an/a 7.30E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of CYP1A2 (unknown origin)


Bioorg Med Chem Lett 24: 3641-6 (2014)


Article DOI: 10.1016/j.bmcl.2014.04.087
BindingDB Entry DOI: 10.7270/Q2GT5PT5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358787
PNG
(CHEMBL1922750)
Show SMILES Clc1ccc(cn1)C(=O)COc1cccc(Br)c1
Show InChI InChI=1S/C13H9BrClNO2/c14-10-2-1-3-11(6-10)18-8-12(17)9-4-5-13(15)16-7-9/h1-7H,8H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358780
PNG
(CHEMBL1922760)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccn1
Show InChI InChI=1S/C18H13ClN2O2/c19-18-9-8-13(11-21-18)16(22)12-23-17-7-2-1-5-14(17)15-6-3-4-10-20-15/h1-11H,12H2
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n/an/a 8.00E+3n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358785
PNG
(CHEMBL1922728)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1Br
Show InChI InChI=1S/C13H9BrClNO2/c14-10-3-1-2-4-12(10)18-8-11(17)9-5-6-13(15)16-7-9/h1-7H,8H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50401085
PNG
(CHEMBL2204446)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu2 by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401093
PNG
(CHEMBL2204443)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C23H26N2O2/c1-18(2)24-14-16-25(17-15-24)23(26)21-10-6-19(7-11-21)4-5-20-8-12-22(27-3)13-9-20/h6-13,18H,14-17H2,1-3H3
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50401086
PNG
(CHEMBL2204445)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu2 by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358779
PNG
(CHEMBL1922759)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H14ClNO2/c20-19-11-10-15(12-21-19)17(22)13-23-18-9-5-4-8-16(18)14-6-2-1-3-7-14/h1-12H,13H2
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358786
PNG
(CHEMBL1922742)
Show SMILES Brc1ccccc1OCC(=O)c1ccc(NCCc2cccnc2)nc1
Show InChI InChI=1S/C20H18BrN3O2/c21-17-5-1-2-6-19(17)26-14-18(25)16-7-8-20(24-13-16)23-11-9-15-4-3-10-22-12-15/h1-8,10,12-13H,9,11,14H2,(H,23,24)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402787
PNG
(CHEMBL2208405)
Show SMILES CS(=O)(=O)N(CC(=O)NCC1CC1)c1cc(ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C14H16ClF3N2O3S/c1-24(22,23)20(8-13(21)19-7-9-2-3-9)12-6-10(14(16,17)18)4-5-11(12)15/h4-6,9H,2-3,7-8H2,1H3,(H,19,21)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Bioorg Med Chem Lett 22: 7388-92 (2012)


Article DOI: 10.1016/j.bmcl.2012.10.068
BindingDB Entry DOI: 10.7270/Q2H996BR
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358781
PNG
(CHEMBL1922765)
Show SMILES Clc1ccc(cn1)C(=O)COc1ccccc1-c1cncnc1
Show InChI InChI=1S/C17H12ClN3O2/c18-17-6-5-12(9-21-17)15(22)10-23-16-4-2-1-3-14(16)13-7-19-11-20-8-13/h1-9,11H,10H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401094
PNG
(CHEMBL2204441)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@H](C1)C(O)=O |r|
Show InChI InChI=1S/C22H21NO4/c1-27-20-12-8-17(9-13-20)5-4-16-6-10-18(11-7-16)21(24)23-14-2-3-19(15-23)22(25)26/h6-13,19H,2-3,14-15H2,1H3,(H,25,26)/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Homo sapiens (Human))
BDBM50401092
PNG
(CHEMBL2204444)
Show SMILES CCN1CCC[C@H]1CC(=O)c1ccc(cc1)C#Cc1ccc(OC)cc1 |r|
Show InChI InChI=1S/C23H25NO2/c1-3-24-16-4-5-21(24)17-23(25)20-12-8-18(9-13-20)6-7-19-10-14-22(26-2)15-11-19/h8-15,21H,3-5,16-17H2,1-2H3/t21-/m0/s1
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Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu3 assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3 (mGlu3)


(Rattus norvegicus (Rat))
BDBM50337957
PNG
((4-hydroxypiperidin-1-yl)(4-(phenylethynyl)phenyl)...)
Show SMILES OC1CCN(CC1)C(=O)c1ccc(cc1)C#Cc1ccccc1
Show InChI InChI=1S/C20H19NO2/c22-19-12-14-21(15-13-19)20(23)18-10-8-17(9-11-18)7-6-16-4-2-1-3-5-16/h1-5,8-11,19,22H,12-15H2
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of rat mGlu3 assessed as assessed as thaillium flux through GIRK channels by cell-based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM50401086
PNG
(CHEMBL2204445)
Show SMILES COc1ccc(cc1)C#Cc1ccc(cc1)C(=O)N1CCC[C@@H](CO)C1 |r|
Show InChI InChI=1S/C22H23NO3/c1-26-21-12-8-18(9-13-21)5-4-17-6-10-20(11-7-17)22(25)23-14-2-3-19(15-23)16-24/h6-13,19,24H,2-3,14-16H2,1H3/t19-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of mGlu5 assessed as inhibition of glutamate-induced calcium mobilization by cell based assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 4 (mGluR4)


(Homo sapiens (Human))
BDBM50358782
PNG
(CHEMBL1922768)
Show SMILES Cn1cc(cn1)-c1ccccc1OCC(=O)c1ccc(Cl)nc1
Show InChI InChI=1S/C17H14ClN3O2/c1-21-10-13(9-20-21)14-4-2-3-5-16(14)23-11-15(22)12-6-7-17(18)19-8-12/h2-10H,11H2,1H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu4 receptor expressed in CHO cells co-expressing Gqi5 assessed as inhibition of EC80 glutamate-induced calcium mobili...


Bioorg Med Chem Lett 21: 6955-9 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.131
BindingDB Entry DOI: 10.7270/Q2S75GRQ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50401091
PNG
(CHEMBL2204436 | CHEMBL2385894)
Show SMILES Clc1ccc(CN[C@H]2CCN(C2)c2ncc(Br)cn2)c(Cl)c1 |r|
Show InChI InChI=1S/C15H15BrCl2N4/c16-11-7-20-15(21-8-11)22-4-3-13(9-22)19-6-10-1-2-12(17)5-14(10)18/h1-2,5,7-8,13,19H,3-4,6,9H2/t13-/m0/s1
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n/an/a>1.25E+4n/an/an/an/an/an/a



Vanderbilt University Medical Center

Curated by ChEMBL


Assay Description
Negative allosteric modulation of human mGlu2 expressed in AV-12 cells in presence of glutamate EC90 concentration by FLIPR assay


Bioorg Med Chem Lett 22: 3921-5 (2012)


Article DOI: 10.1016/j.bmcl.2012.04.112
BindingDB Entry DOI: 10.7270/Q21N828X
More data for this
Ligand-Target Pair
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