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Compile Data Set for Download or QSAR

Found 1159 hits of ic50 for UniProtKB: Q13255   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 0.400n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 0.400n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 0.550n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163613
PNG
((2,3-Dihydro-1H-cyclopenta[b]quinolin-7-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3CCCc3cc2c1
Show InChI InChI=1S/C20H23NO2/c1-23-17-8-5-13(6-9-17)20(22)15-7-10-19-16(12-15)11-14-3-2-4-18(14)21-19/h7,10-13,17H,2-6,8-9H2,1H3/t13-,17+
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n/an/a 0.560n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50224390
PNG
(8-(4-methylphenyl)-1h-pyrrolo[2'',3'':4',5']pyrido...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3ncc4cc[nH]c4c23)c1=O
Show InChI InChI=1S/C18H12N4OS/c1-10-2-4-12(5-3-10)22-9-21-15-13-14-11(6-7-19-14)8-20-17(13)24-16(15)18(22)23/h2-9,19H,1H3
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n/an/a 0.700n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
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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n/an/a 0.800n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 0.900n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50401714
PNG
(CHEMBL2205923)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(Br)cc4)c3=O)c12
Show InChI InChI=1S/C16H12BrN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50401715
PNG
(CHEMBL2205922)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(Cl)cc4)c3=O)c12
Show InChI InChI=1S/C16H12ClN5OS/c1-21(2)14-11-12-13(24-15(11)19-7-18-14)16(23)22(8-20-12)10-5-3-9(17)4-6-10/h3-8H,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50401688
PNG
(CHEMBL2205921)
Show SMILES CN(C)c1ncnc2sc3c(ncn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C17H15N5OS/c1-10-4-6-11(7-5-10)22-9-20-13-12-15(21(2)3)18-8-19-16(12)24-14(13)17(22)23/h4-9H,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50163596
PNG
((2-Amino-3-ethyl-quinolin-6-yl)-(4-methoxy-cyclohe...)
Show SMILES CCc1cc2cc(ccc2nc1N)C(=O)C1CCC(CC1)OC
Show InChI InChI=1S/C19H24N2O2/c1-3-12-10-15-11-14(6-9-17(15)21-19(12)20)18(22)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H2,20,21)
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n/an/a 1n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 1.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50163592
PNG
((3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-(4-met...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H23NO3/c1-23-17-7-4-13(5-8-17)19(22)14-6-9-18-16(11-14)12-15-3-2-10-24-20(15)21-18/h6,9,11-13,17H,2-5,7-8,10H2,1H3/t13-,17+
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n/an/a 1.21n/an/an/an/an/an/a



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at human mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 1.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
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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n/an/a 1.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 1.80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50301542
PNG
(4-fluoro-N-methyl-N-(4-(6-(methylamino)pyrimidin-4...)
Show SMILES CNc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C16H14FN5OS/c1-18-14-7-12(19-9-20-14)13-8-24-16(21-13)22(2)15(23)10-3-5-11(17)6-4-10/h3-9H,1-2H3,(H,18,19,20)
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n/an/a 1.80n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 5464-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.097
BindingDB Entry DOI: 10.7270/Q2W66KTT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 1.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50163617
PNG
((2,3-Dihydro-thieno[2,3-b]quinolin-6-yl)-(4-methox...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3SCCc3cc2c1
Show InChI InChI=1S/C19H21NO2S/c1-22-16-5-2-12(3-6-16)18(21)13-4-7-17-15(10-13)11-14-8-9-23-19(14)20-17/h4,7,10-12,16H,2-3,5-6,8-9H2,1H3/t12-,16+
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n/an/a 2n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50401689
PNG
(CHEMBL2205920)
Show SMILES COc1ccc(cc1)-n1cnc2c(sc3ncnc(N(C)C)c23)c1=O
Show InChI InChI=1S/C17H15N5O2S/c1-21(2)15-12-13-14(25-16(12)19-8-18-15)17(23)22(9-20-13)10-4-6-11(24-3)7-5-10/h4-9H,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2.10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
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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n/an/a 2.20n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
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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n/an/a 2.30n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 2.40n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
BDBM50301541
PNG
(CHEMBL577729 | N-(4-(6-aminopyrimidin-4-yl)thiazol...)
Show SMILES CN(C(=O)c1ccc(F)cc1)c1nc(cs1)-c1cc(N)ncn1
Show InChI InChI=1S/C15H12FN5OS/c1-21(14(22)9-2-4-10(16)5-3-9)15-20-12(7-23-15)11-6-13(17)19-8-18-11/h2-8H,1H3,(H2,17,18,19)
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n/an/a 2.40n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cells by FLIPR assay


Bioorg Med Chem Lett 19: 5464-8 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.097
BindingDB Entry DOI: 10.7270/Q2W66KTT
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 2.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
BDBM50273898
PNG
(CHEMBL452618 | tert-Butyl-4-[1-(2-fuluoropyridine-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F
Show InChI InChI=1S/C17H20FN5O2/c1-17(2,3)25-16(24)22-9-6-12(7-10-22)14-11-23(21-20-14)15-13(18)5-4-8-19-15/h4-6,8,11H,7,9-10H2,1-3H3
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in CHO cells assessed as calcium flux by FLIPR assay


Bioorg Med Chem 16: 9817-29 (2008)


Article DOI: 10.1016/j.bmc.2008.09.060
BindingDB Entry DOI: 10.7270/Q2QN66K2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301816
PNG
(2-cyclopropyl-5-(5-methyl-1-(pyridin-3-yl)-1H-1,2,...)
Show SMILES Cc1c(nnn1-c1cccnc1)-c1ccc2C(=O)C(Cc2c1)C1CC1
Show InChI InChI=1S/C20H18N4O/c1-12-19(22-23-24(12)16-3-2-8-21-11-16)14-6-7-17-15(9-14)10-18(20(17)25)13-4-5-13/h2-3,6-9,11,13,18H,4-5,10H2,1H3
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n/an/a 2.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 2.90n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1a expressed in CHO cells assessed by measuring intracellular calcium by FLIPR assay


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 1


(Homo sapiens (Human))
BDBM50401678
PNG
(CHEMBL2205371)
Show SMILES Clc1ccc(cc1)-n1cnc2c(sc3ncnc(NC4CC4)c23)c1=O
Show InChI InChI=1S/C17H12ClN5OS/c18-9-1-5-11(6-2-9)23-8-21-13-12-15(22-10-3-4-10)19-7-20-16(12)25-14(13)17(23)24/h1-2,5-8,10H,3-4H2,(H,19,20,22)
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells


Bioorg Med Chem Lett 16: 4936-40 (2006)


Article DOI: 10.1016/j.bmcl.2006.06.053
BindingDB Entry DOI: 10.7270/Q2C24W2W
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50163589
PNG
((4-Methoxy-cyclohexyl)-(2-propyl-quinolin-6-yl)-me...)
Show SMILES CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC
Show InChI InChI=1S/C20H25NO2/c1-3-4-17-9-5-15-13-16(8-12-19(15)21-17)20(22)14-6-10-18(23-2)11-7-14/h5,8-9,12-14,18H,3-4,6-7,10-11H2,1-2H3/t14-,18+
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n/an/a 3n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibitory concentration against human metabotropic glutamate receptor


J Med Chem 48: 2134-53 (2005)


Article DOI: 10.1021/jm049499o
BindingDB Entry DOI: 10.7270/Q2RR2017
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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



Eli Lilly and Company

Curated by ChEMBL


Assay Description
Antagonist activity at mGlu1 receptor


J Med Chem 50: 2563-8 (2007)


Article DOI: 10.1021/jm060950g
BindingDB Entry DOI: 10.7270/Q2XS5W7Q
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50278288
PNG
(2-(2-(4-(2,3-dihydro-1H-inden-2-ylamino)pyrido[3,4...)
Show SMILES OCCOCCNc1cc2c(NC3Cc4ccccc4C3)ncnc2cn1
Show InChI InChI=1S/C20H23N5O2/c26-6-8-27-7-5-21-19-11-17-18(12-22-19)23-13-24-20(17)25-16-9-14-3-1-2-4-15(14)10-16/h1-4,11-13,16,26H,5-10H2,(H,21,22)(H,23,24,25)
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n/an/a 3n/an/an/an/an/an/a



Medical Research Council Technology

Curated by ChEMBL


Assay Description
Antagonist activity at mGluR1


Bioorg Med Chem Lett 19: 2190-4 (2009)


Article DOI: 10.1016/j.bmcl.2009.02.106
BindingDB Entry DOI: 10.7270/Q2057FSP
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50401680
PNG
(CHEMBL2205909)
Show SMILES CCN(C)c1ncnc2sc3c(ncn(-c4ccc(OC)cc4)c3=O)c12
Show InChI InChI=1S/C18H17N5O2S/c1-4-22(2)16-13-14-15(26-17(13)20-9-19-16)18(24)23(10-21-14)11-5-7-12(25-3)8-6-11/h5-10H,4H2,1-3H3
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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 expressed in 1321N1 cells assessed as effect on L-glutamate-induced calcium mobilization


J Med Chem 48: 7374-88 (2005)


Article DOI: 10.1021/jm0504407
BindingDB Entry DOI: 10.7270/Q27P8XX0
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
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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n/an/a 3n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
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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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50316004
PNG
(9-Amino-7-mercapto-3-p-tolyl-3H-thieno[2,3-d:4,5-d...)
Show SMILES Cc1ccc(cc1)-n1cnc2c(sc3[nH]c(=S)nc(N)c23)c1=O
Show InChI InChI=1S/C15H11N5OS2/c1-7-2-4-8(5-3-7)20-6-17-10-9-12(16)18-15(22)19-13(9)23-11(10)14(20)21/h2-6H,1H3,(H3,16,18,19,22)
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n/an/a 3.10n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50301821
PNG
(2-ethyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,...)
Show SMILES CCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C18H16FN5O/c1-3-23-10-13-9-12(6-7-14(13)18(23)25)16-11(2)24(22-21-16)15-5-4-8-20-17(15)19/h4-9H,3,10H2,1-2H3
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n/an/a 3.30n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50364697
PNG
(CHEMBL1951688)
Show SMILES CNc1ccnc2sc3c(ccn(-c4ccc(C)cc4)c3=O)c12
Show InChI InChI=1S/C18H15N3OS/c1-11-3-5-12(6-4-11)21-10-8-13-15-14(19-2)7-9-20-17(15)23-16(13)18(21)22/h3-10H,1-2H3,(H,19,20)
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n/an/a 3.40n/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human 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 1


(Homo sapiens (Human))
BDBM50301824
PNG
(2-cyclopropyl-5-(1-(2-fluoropyridin-3-yl)-5-methyl...)
Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2C(=O)N(Cc2c1)C1CC1
Show InChI InChI=1S/C19H16FN5O/c1-11-17(22-23-25(11)16-3-2-8-21-18(16)20)12-4-7-15-13(9-12)10-24(19(15)26)14-5-6-14/h2-4,7-9,14H,5-6,10H2,1H3
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n/an/a 3.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM50301822
PNG
(5-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CCCN1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1cccnc1F
Show InChI InChI=1S/C19H18FN5O/c1-3-9-24-11-14-10-13(6-7-15(14)19(24)26)17-12(2)25(23-22-17)16-5-4-8-21-18(16)20/h4-8,10H,3,9,11H2,1-2H3
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n/an/a 3.60n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FL...


Bioorg Med Chem Lett 19: 5310-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.07.145
BindingDB Entry DOI: 10.7270/Q26H4HGN
More data for this
Ligand-Target Pair
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