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Compile Data Set for Download or QSAR

Found 46 hits from Biocampus   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(RAT)
BDBM50177100
PNG
(3-Cycloheptyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-9-10-19-17-14(13)15-16(24-17)18(23)22(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177053
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-5-7-13(8-6-12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177063
PNG
(3-(4-Bromo-phenyl)-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H13BrN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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n/an/a 4n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177097
PNG
(9-Dimethylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thie...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h4-10H,1-3H3
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n/an/a 5n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177085
PNG
(3-Cyclopentyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCC4)c3=O)c12
Show InChI InChI=1S/C16H18N4OS/c1-19(2)11-7-8-17-15-12(11)13-14(22-15)16(21)20(9-18-13)10-5-3-4-6-10/h7-10H,3-6H2,1-2H3
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n/an/a 5n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177055
PNG
(9-Dimethylamino-3-(3-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1cccc(c1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-6-5-7-13(10-12)23-11-21-16-15-14(22(2)3)8-9-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 9n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177080
PNG
(3-azepan-1-yl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(N4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C17H21N5OS/c1-20(2)12-7-8-18-16-13(12)14-15(24-16)17(23)22(11-19-14)21-9-5-3-4-6-10-21/h7-8,11H,3-6,9-10H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177059
PNG
(3-Cyclooctyl-9-dimethylamino-3H-pyrido[3',2':4,5]t...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCCCC4)c3=O)c12
Show InChI InChI=1S/C19H24N4OS/c1-22(2)14-10-11-20-18-15(14)16-17(25-18)19(24)23(12-21-16)13-8-6-4-3-5-7-9-13/h10-13H,3-9H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177076
PNG
(3-(4-Chloro-phenyl)-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H13ClN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177065
PNG
(9-Dimethylamino-3-(2,4-dimethyl-phenyl)-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(C)cc4C)c3=O)c12
Show InChI InChI=1S/C19H18N4OS/c1-11-5-6-13(12(2)9-11)23-10-21-16-15-14(22(3)4)7-8-20-18(15)25-17(16)19(23)24/h5-10H,1-4H3
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n/an/a 17n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177079
PNG
(9-dimethylamino-3-phenyl-3H-pyrido[3',2':4,5]thien...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4)c3=O)c12
Show InChI InChI=1S/C17H14N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h3-10H,1-2H3
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n/an/a 20n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177078
PNG
(9-Dimethylamino-3-(4-fluoro-phenyl)-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(F)cc4)c3=O)c12
Show InChI InChI=1S/C17H13FN4OS/c1-21(2)12-7-8-19-16-13(12)14-15(24-16)17(23)22(9-20-14)11-5-3-10(18)4-6-11/h3-9H,1-2H3
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n/an/a 23n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177098
PNG
(3-Cyclopentylmethyl-9-dimethylamino-3H-pyrido[3',2...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(CC4CCCC4)c3=O)c12
Show InChI InChI=1S/C17H20N4OS/c1-20(2)12-7-8-18-16-13(12)14-15(23-16)17(22)21(10-19-14)9-11-5-3-4-6-11/h7-8,10-11H,3-6,9H2,1-2H3
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n/an/a 26n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177057
PNG
(9-Dimethylamino-3-(4-trifluoromethyl-phenyl)-3H-py...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(F)(F)F)c3=O)c12
Show InChI InChI=1S/C18H13F3N4OS/c1-24(2)12-7-8-22-16-13(12)14-15(27-16)17(26)25(9-23-14)11-5-3-10(4-6-11)18(19,20)21/h3-9H,1-2H3
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n/an/a 32n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177074
PNG
(9-(Ethyl-methyl-amino)-3-(4-ethyl-phenyl)-3H-pyrid...)
Show SMILES CCN(C)c1ccnc2sc3c(ncn(-c4ccc(CC)cc4)c3=O)c12
Show InChI InChI=1S/C20H20N4OS/c1-4-13-6-8-14(9-7-13)24-12-22-17-16-15(23(3)5-2)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3
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n/an/a 37n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177084
PNG
(9-Dimethylamino-3-(6-methoxy-pyridin-3-yl)-3H-pyri...)
Show SMILES COc1ccc(cn1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)11-6-7-18-16-13(11)14-15(25-16)17(23)22(9-20-14)10-4-5-12(24-3)19-8-10/h4-9H,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177061
PNG
(9-Cyclopropylamino-3-(4-ethyl-phenyl)-3H-pyrido[3'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C20H18N4OS/c1-2-12-3-7-14(8-4-12)24-11-22-17-16-15(23-13-5-6-13)9-10-21-19(16)26-18(17)20(24)25/h3-4,7-11,13H,2,5-6H2,1H3,(H,21,23)
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n/an/a 41n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177054
PNG
(9-(1'-cyanomethylamino)-3-(4'-ethylphenyl)-3H-5-th...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#N)c23)c1=O
Show InChI InChI=1S/C19H15N5OS/c1-2-12-3-5-13(6-4-12)24-11-23-16-15-14(21-10-8-20)7-9-22-18(15)26-17(16)19(24)25/h3-7,9,11H,2,10H2,1H3,(H,21,22)
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n/an/a 43n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177093
PNG
(9-Dimethylamino-3-(4-ethyl-phenyl)-2-methyl-3H-pyr...)
Show SMILES CCc1ccc(cc1)-n1c(C)nc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H20N4OS/c1-5-13-6-8-14(9-7-13)24-12(2)22-17-16-15(23(3)4)10-11-21-19(16)26-18(17)20(24)25/h6-11H,5H2,1-4H3
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n/an/a 44n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177081
PNG
(3-(2,4-Dichloro-phenyl)-9-dimethylamino-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4Cl)c3=O)c12
Show InChI InChI=1S/C17H12Cl2N4OS/c1-22(2)12-5-6-20-16-13(12)14-15(25-16)17(24)23(8-21-14)11-4-3-9(18)7-10(11)19/h3-8H,1-2H3
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n/an/a 45n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177067
PNG
(9-Dimethylamino-3-(2-hydroxy-phenyl)-3H-pyrido[3',...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccccc4O)c3=O)c12
Show InChI InChI=1S/C17H14N4O2S/c1-20(2)11-7-8-18-16-13(11)14-15(24-16)17(23)21(9-19-14)10-5-3-4-6-12(10)22/h3-9,22H,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177070
PNG
(3-Cyclohexyl-9-dimethylamino-3H-pyrido[3',2':4,5]t...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCCCC4)c3=O)c12
Show InChI InChI=1S/C17H20N4OS/c1-20(2)12-8-9-18-16-13(12)14-15(23-16)17(22)21(10-19-14)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50190237
PNG
(3-(4-Ethyl-phenyl)-9-[methyl-(2-pyridin-2-yl-ethyl...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCc4ccccn4)c23)c1=O
Show InChI InChI=1S/C25H23N5OS/c1-3-17-7-9-19(10-8-17)30-16-28-22-21-20(11-14-27-24(21)32-23(22)25(30)31)29(2)15-12-18-6-4-5-13-26-18/h4-11,13-14,16H,3,12,15H2,1-2H3
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n/an/a 52n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177083
PNG
(3-(4-ethylphenyl)-9-[(2-methoxyethyl)(methyl)amino...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CCOC)c23)c1=O
Show InChI InChI=1S/C21H22N4O2S/c1-4-14-5-7-15(8-6-14)25-13-23-18-17-16(24(2)11-12-27-3)9-10-22-20(17)28-19(18)21(25)26/h5-10,13H,4,11-12H2,1-3H3
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n/an/a 71n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177068
PNG
(3-Adamantan-1-yl-9-dimethylamino-3H-pyrido[3',2':4...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(c3=O)C34CC5CC(CC(C5)C3)C4)c12
Show InChI InChI=1S/C21H24N4OS/c1-24(2)15-3-4-22-19-16(15)17-18(27-19)20(26)25(11-23-17)21-8-12-5-13(9-21)7-14(6-12)10-21/h3-4,11-14H,5-10H2,1-2H3
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n/an/a 76n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177095
PNG
(9-Dimethylamino-2-ethyl-3-(4-ethyl-phenyl)-3H-pyri...)
Show SMILES CCc1ccc(cc1)-n1c(CC)nc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C21H22N4OS/c1-5-13-7-9-14(10-8-13)25-16(6-2)23-18-17-15(24(3)4)11-12-22-20(17)27-19(18)21(25)26/h7-12H,5-6H2,1-4H3
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n/an/a 84n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177066
PNG
(3-(4-Cyclopropyl-phenyl)-9-dimethylamino-3H-pyrido...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C4CC4)c3=O)c12
Show InChI InChI=1S/C20H18N4OS/c1-23(2)15-9-10-21-19-16(15)17-18(26-19)20(25)24(11-22-17)14-7-5-13(6-8-14)12-3-4-12/h5-12H,3-4H2,1-2H3
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n/an/a 87n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177086
PNG
(3-(4-Ethyl-phenyl)-9-methylamino-3H-pyrido[3',2':4...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NC)c23)c1=O
Show InChI InChI=1S/C18H16N4OS/c1-3-11-4-6-12(7-5-11)22-10-21-15-14-13(19-2)8-9-20-17(14)24-16(15)18(22)23/h4-10H,3H2,1-2H3,(H,19,20)
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n/an/a 98n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177071
PNG
(3-(4-Ethyl-phenyl)-9-(2,2,2-trifluoro-ethylamino)-...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(F)(F)F)c23)c1=O
Show InChI InChI=1S/C19H15F3N4OS/c1-2-11-3-5-12(6-4-11)26-10-25-15-14-13(24-9-19(20,21)22)7-8-23-17(14)28-16(15)18(26)27/h3-8,10H,2,9H2,1H3,(H,23,24)
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n/an/a 99n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177073
PNG
(2-Butyl-9-dimethylamino-3-(4-ethyl-phenyl)-3H-pyri...)
Show SMILES CCCCc1nc2c(sc3nccc(N(C)C)c23)c(=O)n1-c1ccc(CC)cc1
Show InChI InChI=1S/C23H26N4OS/c1-5-7-8-18-25-20-19-17(26(3)4)13-14-24-22(19)29-21(20)23(28)27(18)16-11-9-15(6-2)10-12-16/h9-14H,5-8H2,1-4H3
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n/an/a 101n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177058
PNG
(9-Azetidin-1-yl-3-(4-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(N4CCC4)c23)c1=O
Show InChI InChI=1S/C20H18N4OS/c1-2-13-4-6-14(7-5-13)24-12-22-17-16-15(23-10-3-11-23)8-9-21-19(16)26-18(17)20(24)25/h4-9,12H,2-3,10-11H2,1H3
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n/an/a 113n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50245682
PNG
(9-Dimethylamino-3-(1H-indol-6-yl)-3H-pyrido[3',2':...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc5cc[nH]c5c4)c3=O)c12
Show InChI InChI=1S/C19H15N5OS/c1-23(2)14-6-8-21-18-15(14)16-17(26-18)19(25)24(10-22-16)12-4-3-11-5-7-20-13(11)9-12/h3-10,20H,1-2H3
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n/an/a 122n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177094
PNG
(9-Dimethylamino-3-(2-methyl-cyclohexyl)-3H-pyrido[...)
Show SMILES CC1CCCCC1n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H22N4OS/c1-11-6-4-5-7-12(11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3
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n/an/a 130n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177075
PNG
(3-Cyclohexylmethyl-9-dimethylamino-3H-pyrido[3',2'...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(CC4CCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h8-9,11-12H,3-7,10H2,1-2H3
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n/an/a 139n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177072
PNG
(9-Dimethylamino-3-(4-methyl-cyclohexyl)-3H-pyrido[...)
Show SMILES CC1CCC(CC1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H22N4OS/c1-11-4-6-12(7-5-11)22-10-20-15-14-13(21(2)3)8-9-19-17(14)24-16(15)18(22)23/h8-12H,4-7H2,1-3H3
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n/an/a 140n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50245379
PNG
(3-cycloheptyl-9-(dimethylnitroryl)pyrido[3',2':4,5...)
Show SMILES C[N+](C)([O-])c1ccnc2sc3c(ncn(C4CCCCCC4)c3=O)c12
Show InChI InChI=1S/C18H22N4O2S/c1-22(2,24)13-9-10-19-17-14(13)15-16(25-17)18(23)21(11-20-15)12-7-5-3-4-6-8-12/h9-12H,3-8H2,1-2H3
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n/an/a 167n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177060
PNG
(3-Cyclobutyl-9-dimethylamino-3H-pyrido[3',2':4,5]t...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CCC4)c3=O)c12
Show InChI InChI=1S/C15H16N4OS/c1-18(2)10-6-7-16-14-11(10)12-13(21-14)15(20)19(8-17-12)9-4-3-5-9/h6-9H,3-5H2,1-2H3
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n/an/a 167n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177102
PNG
(9-Dimethylamino-3-(4-propyl-phenyl)-3H-pyrido[3',2...)
Show SMILES CCCc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H20N4OS/c1-4-5-13-6-8-14(9-7-13)24-12-22-17-16-15(23(2)3)10-11-21-19(16)26-18(17)20(24)25/h6-12H,4-5H2,1-3H3
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n/an/a 180n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177056
PNG
(9-Dimethylamino-3-(2-ethyl-phenyl)-3H-pyrido[3',2'...)
Show SMILES CCc1ccccc1-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H18N4OS/c1-4-12-7-5-6-8-13(12)23-11-21-16-15-14(22(2)3)9-10-20-18(15)25-17(16)19(23)24/h5-11H,4H2,1-3H3
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n/an/a 251n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177064
PNG
(3-Benzyl-9-dimethylamino-3H-pyrido[3',2':4,5]thien...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(Cc4ccccc4)c3=O)c12
Show InChI InChI=1S/C18H16N4OS/c1-21(2)13-8-9-19-17-14(13)15-16(24-17)18(23)22(11-20-15)10-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3
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n/an/a 281n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177069
PNG
(9-(N,N,-dimethyl-N-oxyamino)-3-(4'-ethylphenyl)-3H...)
Show SMILES CCc1ccc(cc1)-n1cnc2c(sc3nccc(c23)[N+](C)(C)[O-])c1=O
Show InChI InChI=1S/C19H18N4O2S/c1-4-12-5-7-13(8-6-12)22-11-21-16-15-14(23(2,3)25)9-10-20-18(15)26-17(16)19(22)24/h5-11H,4H2,1-3H3
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n/an/a 306n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177077
PNG
(9-Dimethylamino-3-(1-ethyl-propyl)-3H-pyrido[3',2'...)
Show SMILES CCC(CC)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C16H20N4OS/c1-5-10(6-2)20-9-18-13-12-11(19(3)4)7-8-17-15(12)22-14(13)16(20)21/h7-10H,5-6H2,1-4H3
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n/an/a 335n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177092
PNG
(9-Dimethylamino-3-(4-isopropyl-phenyl)-3H-pyrido[3...)
Show SMILES CC(C)c1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C20H20N4OS/c1-12(2)13-5-7-14(8-6-13)24-11-22-17-16-15(23(3)4)9-10-21-19(16)26-18(17)20(24)25/h5-12H,1-4H3
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n/an/a 407n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177099
PNG
(9-Dimethylamino-3-(3-methyl-cyclohexyl)-3H-pyrido[...)
Show SMILES CC1CCCC(C1)n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H22N4OS/c1-11-5-4-6-12(9-11)22-10-20-15-14-13(21(2)3)7-8-19-17(14)24-16(15)18(22)23/h7-8,10-12H,4-6,9H2,1-3H3
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n/an/a 482n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177101
PNG
(3-Cyclopropyl-9-dimethylamino-3H-pyrido[3',2':4,5]...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(C4CC4)c3=O)c12
Show InChI InChI=1S/C14H14N4OS/c1-17(2)9-5-6-15-13-10(9)11-12(20-13)14(19)18(7-16-11)8-3-4-8/h5-8H,3-4H2,1-2H3
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n/an/a 632n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50177091
PNG
(3-(4-tert-Butyl-phenyl)-9-dimethylamino-3H-pyrido[...)
Show SMILES CN(C)c1ccnc2sc3c(ncn(-c4ccc(cc4)C(C)(C)C)c3=O)c12
Show InChI InChI=1S/C21H22N4OS/c1-21(2,3)13-6-8-14(9-7-13)25-12-23-17-16-15(24(4)5)10-11-22-19(16)27-18(17)20(25)26/h6-12H,1-5H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 8.50E+3n/an/an/an/an/an/a



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


Eur J Med Chem 43: 1025-34 (2008)


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair