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Compile Data Set for Download or QSAR

Found 595 hits with Last Name = 'reggiani' and Initial = 'a'   
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)
BDBM50224406
PNG
(9-(4-chlorophenyl)-2,3-dihydro-3(R)-methyl-1H-pyri...)
Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m1/s1
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0.200n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
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)
BDBM50224407
PNG
(2,3-dihydro-9-(4-methoxyphenyl)-3(R)-methyl-1H-pyr...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4O[C@H](C)CNc4c23)c1=O
Show InChI InChI=1S/C19H16N4O3S/c1-10-7-20-15-13(26-10)8-21-18-14(15)16-17(27-18)19(24)23(9-22-16)11-3-5-12(25-2)6-4-11/h3-6,8-10,20H,7H2,1-2H3/t10-/m1/s1
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0.300n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224391
PNG
(9-(4-chlorophenyl)-2,3-dihydro-1H-pyrimido[4'',5''...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C17H11ClN4O2S/c18-9-1-3-10(4-2-9)22-8-21-14-12-13-11(24-6-5-19-13)7-20-16(12)25-15(14)17(22)23/h1-4,7-8,19H,5-6H2
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0.400n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
BDBM50224395
PNG
(2,3-dihydro-9-(4-methylphenyl)-1H-pyrimido[4'',5''...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C18H14N4O2S/c1-10-2-4-11(5-3-10)22-9-21-15-13-14-12(24-7-6-19-14)8-20-17(13)25-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor


(RAT)
BDBM50224392
PNG
(9-(4-chlorophenyl)-2,3-dihydro-2(S)-methyl-1H-pyri...)
Show SMILES C[C@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m0/s1
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0.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
BDBM50224400
PNG
(2,3-dihydro-3(R)-methyl-9-(4-methylphenyl)-1H-pyri...)
Show SMILES C[C@@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(C)cc4)c3=O)c21
Show InChI InChI=1S/C19H16N4O2S/c1-10-3-5-12(6-4-10)23-9-22-16-14-15-13(25-11(2)7-20-15)8-21-18(14)26-17(16)19(23)24/h3-6,8-9,11,20H,7H2,1-2H3/t11-/m1/s1
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0.600n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
BDBM50224405
PNG
(2,3-dihydro-9-(4-methoxyphenyl)-1H-pyrimido[4'',5'...)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncc4OCCNc4c23)c1=O
Show InChI InChI=1S/C18H14N4O3S/c1-24-11-4-2-10(3-5-11)22-9-21-15-13-14-12(25-7-6-19-14)8-20-17(13)26-16(15)18(22)23/h2-5,8-9,19H,6-7H2,1H3
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1n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
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)
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)
BDBM50224396
PNG
(9-(4-chlorophenyl)-2,3-dihydro-3(S)-methyl-1H-pyri...)
Show SMILES C[C@H]1CNc2c(O1)cnc1sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c21
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-6-20-14-12(25-9)7-21-17-13(14)15-16(26-17)18(24)23(8-22-15)11-4-2-10(19)3-5-11/h2-5,7-9,20H,6H2,1H3/t9-/m0/s1
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1.5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
BDBM50224402
PNG
(8-(4-chlorophenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C17H9ClN4OS/c18-10-1-3-11(4-2-10)22-8-21-14-12-13-9(5-6-19-13)7-20-16(12)24-15(14)17(22)23/h1-8,19H
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2.40n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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)
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
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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


(RAT)
BDBM50224409
PNG
(9-(4-chlorophenyl)-2,3-dihydro-2(R)-methyl-1H-pyri...)
Show SMILES C[C@@H]1COc2cnc3sc4c(ncn(-c5ccc(Cl)cc5)c4=O)c3c2N1
Show InChI InChI=1S/C18H13ClN4O2S/c1-9-7-25-12-6-20-17-13(14(12)22-9)15-16(26-17)18(24)23(8-21-15)11-4-2-10(19)3-5-11/h2-6,8-9,22H,7H2,1H3/t9-/m1/s1
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9.10n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [3H]9-Dimethylamino-3-(4-methoxy-phenyl)-3H-pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-one from mGluR1 in rat cerebellum membrane


J Med Chem 50: 5550-3 (2007)


Article DOI: 10.1021/jm070590c
BindingDB Entry DOI: 10.7270/Q2D50MQX
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
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