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Compile Data Set for Download or QSAR

Found 358 hits with Last Name = 'grilli' and Initial = 'm'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor


(RAT)
BDBM50345941
PNG
(9-(2-Methyl-allylamino)-3-p-tolyl-3H-pyrido[3',2':...)
Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C20H18N4OS/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(26-19)20(25)24(11-23-17)14-6-4-13(3)5-7-14/h4-9,11H,1,10H2,2-3H3,(H,21,22)
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364723
PNG
(CHEMBL1951662)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C18H14BrN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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0.400n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345942
PNG
(3-(4-Methoxy-phenyl)-9-(2-methyl-allylamino)-3H-py...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
Show InChI InChI=1S/C20H18N4O2S/c1-12(2)10-22-15-8-9-21-19-16(15)17-18(27-19)20(25)24(11-23-17)13-4-6-14(26-3)7-5-13/h4-9,11H,1,10H2,2-3H3,(H,21,22)
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345947
PNG
(3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-pyrido[3...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H11ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345950
PNG
(3-(4-Bromo-phenyl)-9-prop-2-ynylamino-3H-pyrido[3'...)
Show SMILES Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H11BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h1,3-7,9-10H,8H2,(H,20,21)
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345934
PNG
(9-Allylamino-3-(4-bromo-phenyl)-3H-pyrido[3',2':4,...)
Show SMILES Brc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Show InChI InChI=1S/C18H13BrN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)
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0.700n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345933
PNG
(9-Allylamino-3-(4-chloro-phenyl)-3H-pyrido[3',2':4...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Show InChI InChI=1S/C18H13ClN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345931
PNG
(9-Allylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Show InChI InChI=1S/C19H16N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h3-8,10-11H,1,9H2,2H3,(H,20,21)
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1.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345940
PNG
(3-(4-Chloro-phenyl)-9-(2-methyl-allylamino)-3H-pyr...)
Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C19H15ClN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)
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1.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345943
PNG
(3-(4-Bromo-phenyl)-9-(2-methyl-allylamino)-3H-pyri...)
Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C19H15BrN4OS/c1-11(2)9-22-14-7-8-21-18-15(14)16-17(26-18)19(25)24(10-23-16)13-5-3-12(20)4-6-13/h3-8,10H,1,9H2,2H3,(H,21,22)
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345948
PNG
(9-Prop-2-ynylamino-3-p-tolyl-3H-pyrido[3',2':4,5]t...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C19H14N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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1.60n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364720
PNG
(CHEMBL1951659)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-12-4-6-13(7-5-12)22-11-9-14-16-15(21(2)3)8-10-20-18(16)24-17(14)19(22)23/h4-11H,1-3H3
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364722
PNG
(CHEMBL1951661)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN3OS/c1-21(2)14-7-9-20-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,1-2H3
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1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345955
PNG
(3-(4-Chloro-phenyl)-9-(2-methyl-allylamino)-3H-thi...)
Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)
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2.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345966
PNG
(3-Benzo[b]thiophen-5-yl-9-(2-methyl-allylamino)-3H...)
Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc5sccc5c4)c3=O)c12
Show InChI InChI=1S/C20H15N5OS2/c1-11(2)8-21-18-15-16-17(28-19(15)23-9-22-18)20(26)25(10-24-16)13-3-4-14-12(7-13)5-6-27-14/h3-7,9-10H,1,8H2,2H3,(H,21,22,23)
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2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345932
PNG
(9-Allylamino-3-p-tolyl-3H-pyrido[3',2':4,5]thieno[...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Show InChI InChI=1S/C19H16N4OS/c1-3-9-20-14-8-10-21-18-15(14)16-17(25-18)19(24)23(11-22-16)13-6-4-12(2)5-7-13/h3-8,10-11H,1,9H2,2H3,(H,20,21)
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2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345956
PNG
(9-(2-Methyl-allylamino)-3-p-tolyl-3H-thieno[2,3-d:...)
Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N5OS/c1-11(2)8-20-17-14-15-16(26-18(14)22-9-21-17)19(25)24(10-23-15)13-6-4-12(3)5-7-13/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)
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2.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345939
PNG
(9-(Allyl-methyl-amino)-3-(4-bromo-phenyl)-3H-pyrid...)
Show SMILES CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C19H15BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3
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3.20n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364710
PNG
(CHEMBL1951882)
Show SMILES Brc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H14BrN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)
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3.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345949
PNG
(3-(4-Methoxy-phenyl)-9-prop-2-ynylamino-3H-pyrido[...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(NCC#C)c23)c1=O
Show InChI InChI=1S/C19H14N4O2S/c1-3-9-20-14-8-10-21-18-15(14)16-17(26-18)19(24)23(11-22-16)12-4-6-13(25-2)7-5-12/h1,4-8,10-11H,9H2,2H3,(H,20,21)
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3.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345958
PNG
(3-(4-Bromo-phenyl)-9-(2-methyl-allylamino)-3H-thie...)
Show SMILES CC(=C)CNc1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C18H14BrN5OS/c1-10(2)7-20-16-13-14-15(26-17(13)22-8-21-16)18(25)24(9-23-14)12-5-3-11(19)4-6-12/h3-6,8-9H,1,7H2,2H3,(H,20,21,22)
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3.80n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345938
PNG
(9-(Allyl-methyl-amino)-3-(4-methoxy-phenyl)-3H-pyr...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)CC=C)c23)c1=O
Show InChI InChI=1S/C20H18N4O2S/c1-4-11-23(2)15-9-10-21-19-16(15)17-18(27-19)20(25)24(12-22-17)13-5-7-14(26-3)8-6-13/h4-10,12H,1,11H2,2-3H3
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4.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345918
PNG
(3-(4-Chloro-phenyl)-9-prop-2-ynylamino-3H-thieno[2...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C17H10ClN5OS/c1-2-7-19-15-12-13-14(25-16(12)21-8-20-15)17(24)23(9-22-13)11-5-3-10(18)4-6-11/h1,3-6,8-9H,7H2,(H,19,20,21)
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4.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364692
PNG
(CHEMBL1951683)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C20H17N3O2S/c1-25-14-6-4-13(5-7-14)23-11-9-15-17-16(22-12-2-3-12)8-10-21-19(17)26-18(15)20(23)24/h4-12H,2-3H2,1H3,(H,21,22)
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5.20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345937
PNG
(9-(Allyl-methyl-amino)-3-(4-chloro-phenyl)-3H-pyri...)
Show SMILES CN(CC=C)c1ccnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C19H15ClN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h3-9,11H,1,10H2,2H3
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5.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364700
PNG
(CHEMBL1951872)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C17H12BrN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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6.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364731
PNG
(CHEMBL1951670)
Show SMILES COc1ccc(cc1)-n1ccc2c3c(OC)ccnc3sc2c1=O
Show InChI InChI=1S/C18H14N2O3S/c1-22-12-5-3-11(4-6-12)20-10-8-13-15-14(23-2)7-9-19-17(15)24-16(13)18(20)21/h3-10H,1-2H3
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6.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364708
PNG
(CHEMBL1951880)
Show SMILES Clc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H14ClN3OS/c20-11-1-5-13(6-2-11)23-10-8-14-16-15(22-12-3-4-12)7-9-21-18(16)25-17(14)19(23)24/h1-2,5-10,12H,3-4H2,(H,21,22)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364709
PNG
(CHEMBL1951881)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C18H14BrN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)
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7.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345957
PNG
(3-(4-Methoxy-phenyl)-9-(2-methyl-allylamino)-3H-th...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC(C)=C)c23)c1=O
Show InChI InChI=1S/C19H17N5O2S/c1-11(2)8-20-17-14-15-16(27-18(14)22-9-21-17)19(25)24(10-23-15)12-4-6-13(26-3)7-5-12/h4-7,9-10H,1,8H2,2-3H3,(H,20,21,22)
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7.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345936
PNG
(9-Allylamino-3-(4-fluoro-phenyl)-3H-pyrido[3',2':4...)
Show SMILES Fc1ccc(cc1)-n1cnc2c(sc3nccc(NCC=C)c23)c1=O
Show InChI InChI=1S/C18H13FN4OS/c1-2-8-20-13-7-9-21-17-14(13)15-16(25-17)18(24)23(10-22-15)12-5-3-11(19)4-6-12/h2-7,9-10H,1,8H2,(H,20,21)
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7.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224397
PNG
(9-dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C18H16N4O2S/c1-21(2)13-8-9-19-17-14(13)15-16(25-17)18(23)22(10-20-15)11-4-6-12(24-3)7-5-11/h4-10H,1-3H3
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7.90n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345954
PNG
(3-(4-Bromo-phenyl)-9-(methyl-prop-2-ynyl-amino)-3H...)
Show SMILES CN(CC#C)c1ccnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C19H13BrN4OS/c1-3-10-23(2)14-8-9-21-18-15(14)16-17(26-18)19(25)24(11-22-16)13-6-4-12(20)5-7-13/h1,4-9,11H,10H2,2H3
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8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345919
PNG
(9-Prop-2-ynylamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncnc(NCC#C)c23)c1=O
Show InChI InChI=1S/C18H13N5OS/c1-3-8-19-16-13-14-15(25-17(13)21-9-20-16)18(24)23(10-22-14)12-6-4-11(2)5-7-12/h1,4-7,9-10H,8H2,2H3,(H,19,20,21)
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8.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364690
PNG
(CHEMBL1951681)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3O2S/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)25-18)12-4-6-13(24-2)7-5-12/h4-11H,3H2,1-2H3,(H,20,21)
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8.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50316005
PNG
(7,9-Diamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d']dipyr...)
Show SMILES Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
Show InChI InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)
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9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 20: 2474-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.004
BindingDB Entry DOI: 10.7270/Q2TT4R39
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(Rattus norvegicus (Rat))
BDBM50316005
PNG
(7,9-Diamino-3-p-tolyl-3H-thieno[2,3-d:4,5-d']dipyr...)
Show SMILES Cc1ccc(cc1)-n1cnc2c3c(N)nc(N)nc3sc2c1=O
Show InChI InChI=1S/C15H12N6OS/c1-7-2-4-8(5-3-7)21-6-18-10-9-12(16)19-15(17)20-13(9)23-11(10)14(21)22/h2-6H,1H3,(H4,16,17,19,20)
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9.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 20: 2474-7 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.004
BindingDB Entry DOI: 10.7270/Q2TT4R39
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364707
PNG
(CHEMBL1951879)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C18H14ClN3OS/c1-2-20-14-7-9-21-17-15(14)13-8-10-22(18(23)16(13)24-17)12-5-3-11(19)4-6-12/h3-10H,2H2,1H3,(H,20,21)
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9.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364705
PNG
(CHEMBL1951877)
Show SMILES CCNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C19H17N3OS/c1-3-20-15-8-10-21-18-16(15)14-9-11-22(19(23)17(14)24-18)13-6-4-12(2)5-7-13/h4-11H,3H2,1-2H3,(H,20,21)
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9.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364729
PNG
(CHEMBL1951668)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5scnc5c4)c3=O)c12
Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-15-13(9-11)21-10-25-15/h3-10H,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364726
PNG
(CHEMBL1951665)
Show SMILES CN(C)c1ccnc2sc3c(ccn(C4CCCCC4)c3=O)c12
Show InChI InChI=1S/C18H21N3OS/c1-20(2)14-8-10-19-17-15(14)13-9-11-21(18(22)16(13)23-17)12-6-4-3-5-7-12/h8-12H,3-7H2,1-2H3
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11n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364706
PNG
(CHEMBL1951878)
Show SMILES Cc1ccc(cc1)-n1ccc2c(sc3nccc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C20H17N3OS/c1-12-2-6-14(7-3-12)23-11-9-15-17-16(22-13-4-5-13)8-10-21-19(17)25-18(15)20(23)24/h2-3,6-11,13H,4-5H2,1H3,(H,21,22)
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364730
PNG
(CHEMBL1951669)
Show SMILES CN(C)c1ccnc2sc3c(ccn(-c4ccc5ncsc5c4)c3=O)c12
Show InChI InChI=1S/C19H14N4OS2/c1-22(2)14-5-7-20-18-16(14)12-6-8-23(19(24)17(12)26-18)11-3-4-13-15(9-11)25-10-21-13/h3-10H,1-2H3
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12n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345945
PNG
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-9-(2-methyl-...)
Show SMILES CC(=C)CNc1ccnc2sc3c(ncn(-c4ccc5OCCOc5c4)c3=O)c12
Show InChI InChI=1S/C21H18N4O3S/c1-12(2)10-23-14-5-6-22-20-17(14)18-19(29-20)21(26)25(11-24-18)13-3-4-15-16(9-13)28-8-7-27-15/h3-6,9,11H,1,7-8,10H2,2H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364699
PNG
(CHEMBL1951690)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C17H12ClN3OS/c1-19-13-6-8-20-16-14(13)12-7-9-21(17(22)15(12)23-16)11-4-2-10(18)3-5-11/h2-9H,1H3,(H,19,20)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364727
PNG
(CHEMBL1951666)
Show SMILES COc1ccc(cc1F)-n1ccc2c(sc3nccc(N(C)C)c23)c1=O
Show InChI InChI=1S/C19H16FN3O2S/c1-22(2)14-6-8-21-18-16(14)12-7-9-23(19(24)17(12)26-18)11-4-5-15(25-3)13(20)10-11/h4-10H,1-3H3
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345944
PNG
(3-(3-Fluoro-4-methoxy-phenyl)-9-(2-methyl-allylami...)
Show SMILES COc1ccc(cc1F)-n1cnc2c(sc3nccc(NCC(C)=C)c23)c1=O
Show InChI InChI=1S/C20H17FN4O2S/c1-11(2)9-23-14-6-7-22-19-16(14)17-18(28-19)20(26)25(10-24-17)12-4-5-15(27-3)13(21)8-12/h4-8,10H,1,9H2,2-3H3,(H,22,23)
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13n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50364714
PNG
(CHEMBL1951886)
Show SMILES COc1ccc(cc1)-n1ccc2c(sc3ncnc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C19H16N4O2S/c1-25-13-6-4-12(5-7-13)23-9-8-14-15-17(22-11-2-3-11)20-10-21-18(15)26-16(14)19(23)24/h4-11H,2-3H2,1H3,(H,20,21,22)
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13n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat metabotropic glutamate receptor 1


Bioorg Med Chem Lett 22: 1575-8 (2012)


Article DOI: 10.1016/j.bmcl.2011.12.131
BindingDB Entry DOI: 10.7270/Q2F19063
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50401677
PNG
(CHEMBL2205377)
Show SMILES COc1ccc(c(F)c1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H14FN5O2S/c1-22(2)15-12-13-14(26-16(12)20-7-19-15)17(24)23(8-21-13)11-5-4-9(25-3)6-10(11)18/h4-8H,1-3H3
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13.4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 7223-6 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.048
BindingDB Entry DOI: 10.7270/Q24B32GJ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50345935
PNG
(9-Allylamino-3-(4-fluoro-3-methoxy-phenyl)-3H-pyri...)
Show SMILES COc1cc(ccc1F)-n1cnc2c3c(NCC=C)ccnc3sc2c1=O
Show InChI InChI=1S/C19H15FN4O2S/c1-3-7-21-13-6-8-22-18-15(13)16-17(27-18)19(25)24(10-23-16)11-4-5-12(20)14(9-11)26-2/h3-6,8-10H,1,7H2,2H3,(H,21,22)
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14n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 19: 3199-203 (2009)


Article DOI: 10.1016/j.bmcl.2009.04.104
BindingDB Entry DOI: 10.7270/Q27081SJ
More data for this
Ligand-Target Pair
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