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Compile Data Set for Download or QSAR

Found 21 hits Enz. Inhib. hit(s) with Target = 'Metabotropic glutamate receptor 1' AND taxid = 10090   
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 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM100152
PNG
(7-methoxy-1-methyl-9H-beta-carboline;hydrochloride...)
Show SMILES COc1ccc2c(c1)[nH]c1c(C)nccc21
Show InChI InChI=1S/C13H12N2O/c1-8-13-11(5-6-14-8)10-4-3-9(16-2)7-12(10)15-13/h3-7,15H,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity for rat 5-hydroxytryptamine 2A receptor using [3H]-DOB


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM50132104
PNG
(6-Methoxy-1-methyl-4,9-dihydro-3H-beta-carboline |...)
Show SMILES COc1ccc2[nH]c3c(CCN=C3C)c2c1 |c:11|
Show InChI InChI=1S/C13H14N2O/c1-8-13-10(5-6-14-8)11-7-9(16-2)3-4-12(11)15-13/h3-4,7,15H,5-6H2,1-2H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM50136493
PNG
(1-Methyl-4,9-dihydro-3H-beta-carboline | 1-methyl-...)
Show SMILES CC1=NCCc2c1[nH]c1ccccc21 |t:1|
Show InChI InChI=1S/C12H12N2/c1-8-12-10(6-7-13-8)9-4-2-3-5-11(9)14-12/h2-5,14H,6-7H2,1H3
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>1.00E+4n/an/an/an/an/an/an/an/a



Virginia Commonwealth University

Curated by ChEMBL


Assay Description
Binding affinity towards Alpha-2B adrenergic receptor


Bioorg Med Chem Lett 13: 4421-5 (2003)


BindingDB Entry DOI: 10.7270/Q2D21X2G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Mus musculus)
BDBM50333367
PNG
(6-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES Cc1c(nnn1-c1cccnc1F)-c1ccc2ncccc2c1
Show InChI InChI=1S/C17H12FN5/c1-11-16(13-6-7-14-12(10-13)4-2-8-19-14)21-22-23(11)15-5-3-9-20-17(15)18/h2-10H,1H3
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n/an/a 1.40n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Binding affinity to mouse mGluR1


Bioorg Med Chem 19: 102-10 (2011)


Article DOI: 10.1016/j.bmc.2010.11.048
BindingDB Entry DOI: 10.7270/Q21R6QSS
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Mus musculus)
BDBM50273899
PNG
(CHEMBL456823 | tert-Butyl-4-[1-(2-fuluoropyridine-...)
Show SMILES Cc1c(nnn1-c1ncccc1F)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
Show InChI InChI=1S/C18H22FN5O2/c1-12-15(21-22-24(12)16-14(19)6-5-9-20-16)13-7-10-23(11-8-13)17(25)26-18(2,3)4/h5-7,9H,8,10-11H2,1-4H3
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n/an/a 1.5n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273942
PNG
(4-(1-(2-fluoropyridin-3-yl)-5-methyl-1H-1,2,3-tria...)
Show SMILES CC(C)N(C)C(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:10|
Show InChI InChI=1S/C18H23FN6O/c1-12(2)23(4)18(26)24-10-7-14(8-11-24)16-13(3)25(22-21-16)15-6-5-9-20-17(15)19/h5-7,9,12H,8,10-11H2,1-4H3
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n/an/a 3.10n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273941
PNG
(CHEMBL456196 | iso-Propyl-4-[1-(2-fuluoropyridine-...)
Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1nnn(c1C)-c1cccnc1F |c:9|
Show InChI InChI=1S/C17H20FN5O2/c1-11(2)25-17(24)22-9-6-13(7-10-22)15-12(3)23(21-20-15)14-5-4-8-19-16(14)18/h4-6,8,11H,7,9-10H2,1-3H3
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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 mouse 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


(Mus musculus)
BDBM50273898
PNG
(CHEMBL452618 | tert-Butyl-4-[1-(2-fuluoropyridine-...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ncccc1F |c:10|
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 12n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273829
PNG
(CHEMBL461673 | tert-Butyl-4-[1-(2-fluorophenyl)-1H...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)15-12-23(21-20-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3
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n/an/a 16n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273828
PNG
(CHEMBL511355 | tert-Butyl-4-(1-phenyl-1H-1,2,3-tri...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1 |c:10|
Show InChI InChI=1S/C18H22N4O2/c1-18(2,3)24-17(23)21-11-9-14(10-12-21)16-13-22(20-19-16)15-7-5-4-6-8-15/h4-9,13H,10-12H2,1-3H3
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n/an/a 24n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273863
PNG
(CHEMBL460827 | tert-Butyl-4-[1-(4-fuluorophenyl)-1...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccc(F)cc1 |c:10|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-10-8-13(9-11-22)16-12-23(21-20-16)15-6-4-14(19)5-7-15/h4-8,12H,9-11H2,1-3H3
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n/an/a 31n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273830
PNG
(CHEMBL460391 | tert-Butyl-4-[1-(3-fuluorophenyl)-1...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccc(F)c1 |c:10|
Show InChI InChI=1S/C18H21FN4O2/c1-18(2,3)25-17(24)22-9-7-13(8-10-22)16-12-23(21-20-16)15-6-4-5-14(19)11-15/h4-7,11-12H,8-10H2,1-3H3
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n/an/a 39n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273864
PNG
(CHEMBL511352 | tert-Butyl-4-[1-(2-methylphenyl)-1H...)
Show SMILES Cc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:14|
Show InChI InChI=1S/C19H24N4O2/c1-14-7-5-6-8-17(14)23-13-16(20-21-23)15-9-11-22(12-10-15)18(24)25-19(2,3)4/h5-9,13H,10-12H2,1-4H3
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n/an/a 58n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273895
PNG
(CHEMBL457872 | tert-Butyl-4-[1-pyridin-2-yl-1H-1,2...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccn1 |c:10|
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-7-13(8-11-21)14-12-22(20-19-14)15-6-4-5-9-18-15/h4-7,9,12H,8,10-11H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273867
PNG
(1-(3,3-Dimethylbutanolyl)-4-[1-(2-fluorophenyl)-1H...)
Show SMILES CC(C)(C)CC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
Show InChI InChI=1S/C19H23FN4O/c1-19(2,3)12-18(25)23-10-8-14(9-11-23)16-13-24(22-21-16)17-7-5-4-6-15(17)20/h4-8,13H,9-12H2,1-3H3
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n/an/a 160n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273896
PNG
(CHEMBL453249 | tert-Butyl-4-[1-pyridin-3-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1 |c:10|
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-9-6-13(7-10-21)15-12-22(20-19-15)14-5-4-8-18-11-14/h4-6,8,11-12H,7,9-10H2,1-3H3
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n/an/a 180n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273940
PNG
(CHEMBL457026 | iso-Propyl-4-[1-(2-fuluoropyridine-...)
Show SMILES CC(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1cccnc1F |c:9|
Show InChI InChI=1S/C16H18FN5O2/c1-11(2)24-16(23)21-8-5-12(6-9-21)13-10-22(20-19-13)14-4-3-7-18-15(14)17/h3-5,7,10-11H,6,8-9H2,1-2H3
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n/an/a 180n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273866
PNG
(CHEMBL461034 | N-(tert-Butyl)-4-[1-(2-fluorophenyl...)
Show SMILES CC(C)(C)NC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccccc1F |c:10|
Show InChI InChI=1S/C18H22FN5O/c1-18(2,3)20-17(25)23-10-8-13(9-11-23)15-12-24(22-21-15)16-7-5-4-6-14(16)19/h4-8,12H,9-11H2,1-3H3,(H,20,25)
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n/an/a 290n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273897
PNG
(CHEMBL457873 | tert-Butyl-4-[1-pyridin-4-yl-1 H-1,...)
Show SMILES CC(C)(C)OC(=O)N1CCC(=CC1)c1cn(nn1)-c1ccncc1 |c:10|
Show InChI InChI=1S/C17H21N5O2/c1-17(2,3)24-16(23)21-10-6-13(7-11-21)15-12-22(20-19-15)14-4-8-18-9-5-14/h4-6,8-9,12H,7,10-11H2,1-3H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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


(Mus musculus)
BDBM50273865
PNG
(CHEMBL461033 | tert-Butyl-4-[1-(2-methoxylphenyl)-...)
Show SMILES COc1ccccc1-n1cc(nn1)C1=CCN(CC1)C(=O)OC(C)(C)C |t:15|
Show InChI InChI=1S/C19H24N4O3/c1-19(2,3)26-18(24)22-11-9-14(10-12-22)15-13-23(21-20-15)16-7-5-6-8-17(16)25-4/h5-9,13H,10-12H2,1-4H3
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PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Tsukuba Research Institute

Curated by ChEMBL


Assay Description
Antagonist activity at mouse 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 1/2/3/4/5/6/7/8


(Rattus norvegicus-Rattus norvegicus (Rat)-RAT)
BDBM50079183
PNG
((2S)-amino(3,5-dihydroxyphenyl)ethanoic acid | (S)...)
Show SMILES N[C@H](C(O)=O)c1cc(O)cc(O)c1
Show InChI InChI=1S/C8H9NO4/c9-7(8(12)13)4-1-5(10)3-6(11)2-4/h1-3,7,10-11H,9H2,(H,12,13)/t7-/m0/s1
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Similars

n/an/an/an/a 1.09E+4n/an/an/an/a


TBA

Assay Description
Compound was tested for ability to stimulate metabotropic glutamate receptor (mGluR) mediated phosphoinositide hydrolysis in rat hippocampus


Citation and Details

BindingDB Entry DOI: 10.7270/Q20K2BQS
More data for this
Ligand-Target Pair