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Compile Data Set for Download or QSAR

Found 324 hits of ic50 data for polymerid = 49000732   
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


(RAT)
BDBM50379862
PNG
(CHEMBL2011870)
Show SMILES COc1ccc(cc1)-c1nsc(NC(=O)[C@@H]2C[C@H]2C)c1C |r|
Show InChI InChI=1S/C16H18N2O2S/c1-9-8-13(9)15(19)17-16-10(2)14(18-21-16)11-4-6-12(20-3)7-5-11/h4-7,9,13H,8H2,1-3H3,(H,17,19)/t9-,13-/m1/s1
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n/an/a 0.900n/an/an/an/an/an/a



Lilly Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1


Bioorg Med Chem Lett 22: 2514-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.02.003
BindingDB Entry DOI: 10.7270/Q2RX9D3G
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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


(RAT)
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 |wU:5.8,2.1,(-8.35,-.82,;-7.02,-1.59,;-5.67,-.82,;-5.67,.72,;-4.36,1.49,;-3.03,.72,;-3.03,-.82,;-4.36,-1.59,;-1.68,1.49,;-1.7,3.03,;-.34,.74,;-.34,-.82,;.98,-1.57,;2.31,-.78,;3.66,-1.56,;4.98,-.75,;6.32,-1.5,;7.65,-.71,;7.65,.83,;4.97,.79,;3.62,1.54,;2.31,.75,;.96,1.51,)|
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



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
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 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50231750
PNG
((3-ethyl-2-methylquinolin-6-yl)(4-methoxycyclohexy...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CCC(CC1)OC |(-9.6,3.19,;-8.27,3.96,;-6.93,3.19,;-5.6,3.96,;-4.27,3.2,;-2.94,3.97,;-1.61,3.21,;-1.6,1.66,;-2.93,.89,;-4.27,1.65,;-5.6,.87,;-6.93,1.64,;-8.27,.88,;-.28,3.99,;-.29,5.53,;1.06,3.22,;1.06,1.68,;2.39,.92,;3.73,1.69,;3.72,3.23,;2.38,4,;5.06,.92,;5.07,-.62,)|
Show InChI InChI=1S/C20H25NO2/c1-4-14-11-17-12-16(7-10-19(17)21-13(14)2)20(22)15-5-8-18(23-3)9-6-15/h7,10-12,15,18H,4-6,8-9H2,1-3H3
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Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50163590
PNG
((2,3-Diethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)...)
Show SMILES CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
Show InChI InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
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 |wU:5.8,2.1,(-8.6,-.89,;-7.27,-1.66,;-5.94,-.89,;-5.94,.65,;-4.61,1.42,;-3.28,.65,;-3.28,-.89,;-4.61,-1.66,;-1.95,1.42,;-1.98,2.96,;-.62,.67,;-.62,-.87,;.72,-1.64,;2.05,-.85,;3.39,-1.62,;4.72,-.82,;6.07,-1.57,;7.4,-.8,;7.38,.76,;6.03,1.51,;4.7,.72,;3.36,1.49,;2.04,.69,;.71,1.44,)|
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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163590
PNG
((2,3-Diethyl-quinolin-6-yl)-(4-methoxy-cyclohexyl)...)
Show SMILES CCc1cc2cc(ccc2nc1CC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
Show InChI InChI=1S/C21H27NO2/c1-4-14-12-17-13-16(8-11-20(17)22-19(14)5-2)21(23)15-6-9-18(24-3)10-7-15/h8,11-13,15,18H,4-7,9-10H2,1-3H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50301804
PNG
(5-(1-(2,4-difluorophenyl)-5-methyl-1H-1,2,3-triazo...)
Show SMILES CC(C)N1Cc2cc(ccc2C1=O)-c1nnn(c1C)-c1ccc(F)cc1F
Show InChI InChI=1S/C20H18F2N4O/c1-11(2)25-10-14-8-13(4-6-16(14)20(25)27)19-12(3)26(24-23-19)18-7-5-15(21)9-17(18)22/h4-9,11H,10H2,1-3H3
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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 rat mGluR1 receptor expressed in CHO cell membranes assessed as inhibition of L-glutamate-induced calcium mobilization by FLIP...


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


(RAT)
BDBM50163607
PNG
(3-ethyl-6-[(4-methoxycyclohexyl)carbonyl]quinoline...)
Show SMILES CCc1cnc2ccc(cc2c1)C(=O)C1CCC(CC1)OC |(8,.58,;6.65,1.35,;5.33,.56,;5.34,-.98,;3.98,-1.75,;2.65,-.98,;1.32,-1.75,;-.02,-.98,;,.56,;1.33,1.33,;2.65,.56,;3.98,1.33,;-1.35,1.33,;-1.32,2.88,;-2.68,.56,;-2.68,-.98,;-4.01,-1.74,;-5.33,-.98,;-5.33,.56,;-4.01,1.35,;-6.68,-1.75,;-8.01,-.98,)|
Show InChI InChI=1S/C19H23NO2/c1-3-13-10-16-11-15(6-9-18(16)20-12-13)19(21)14-4-7-17(22-2)8-5-14/h6,9-12,14,17H,3-5,7-8H2,1-2H3
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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


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

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50129227
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-isopro...)
Show SMILES CCCOC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H25NO4/c1-7-8-20-15(19)13-10(2)12(9-17-13)14(18)21-11(3)16(4,5)6/h9,11,17H,7-8H2,1-6H3
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GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method.


Bioorg Med Chem Lett 13: 2113-8 (2003)


BindingDB Entry DOI: 10.7270/Q2PN9519
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
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 |wU:5.8,2.1,(-8.28,-.89,;-6.95,-1.66,;-5.62,-.89,;-5.62,.65,;-4.31,1.42,;-2.96,.65,;-2.96,-.89,;-4.31,-1.66,;-1.63,1.42,;-1.65,2.96,;-.3,.67,;-.3,-.87,;1.03,-1.64,;2.36,-.85,;3.72,-1.62,;5.05,-.82,;6.52,-1.29,;7.43,-.03,;6.49,1.23,;5.02,.74,;3.67,1.49,;2.36,.69,;1.01,1.44,)|
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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Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163589
PNG
((4-Methoxy-cyclohexyl)-(2-propyl-quinolin-6-yl)-me...)
Show SMILES CCCc1ccc2cc(ccc2n1)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:15.16,18.23,(8.94,-1.38,;7.59,-.61,;6.26,-1.41,;4.92,-.66,;4.91,.9,;3.55,1.65,;2.24,.86,;.89,1.61,;-.41,.83,;-.41,-.71,;.92,-1.48,;2.25,-.68,;3.6,-1.45,;-1.74,1.58,;-1.77,3.12,;-3.07,.81,;-4.43,1.58,;-5.73,.81,;-5.73,-.73,;-4.43,-1.5,;-3.07,-.73,;-7.06,-1.5,;-8.4,-.73,)|
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 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163616
PNG
((2-Chloro-3-ethyl-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
Show InChI InChI=1S/C19H22ClNO2/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
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50231744
PNG
(CHEMBL399160 | NPS 2390 | quinoxaline-2-carboxylic...)
Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1cnc2ccccc2n1 |TLB:2:3:6:10.8.9,THB:8:7:4:10.9.11,8:9:6.7.12:4,11:9:6:12.3.4,11:3:6:10.8.9|
Show InChI InChI=1S/C19H21N3O/c23-18(17-11-20-15-3-1-2-4-16(15)21-17)22-19-8-12-5-13(9-19)7-14(6-12)10-19/h1-4,11-14H,5-10H2,(H,22,23)
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Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50163616
PNG
((2-Chloro-3-ethyl-quinolin-6-yl)-(4-methoxy-cycloh...)
Show SMILES CCc1cc2cc(ccc2nc1Cl)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
Show InChI InChI=1S/C19H22ClNO2/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
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n/an/a 5n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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


(RAT)
BDBM50231749
PNG
(6-ethyl-5-methyl-3-(1,2,4,5-tetrahydrobenzo[d]azep...)
Show SMILES CCc1nc(C#N)c(nc1C)N1CCc2ccccc2CC1
Show InChI InChI=1S/C18H20N4/c1-3-16-13(2)20-18(17(12-19)21-16)22-10-8-14-6-4-5-7-15(14)9-11-22/h4-7H,3,8-11H2,1-2H3
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n/an/a 6n/an/an/an/an/an/a



Institute of Organic Synthesis

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1 expressed in cerebellar granule cells assessed as accumulation of [3H]inositol phosphate


J Med Chem 51: 634-47 (2008)


Article DOI: 10.1021/jm0611298
BindingDB Entry DOI: 10.7270/Q2QC04B2
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50163606
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-ph...)
Show SMILES O=C(Cc1ccccc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C20H17NO2/c22-19(11-14-5-2-1-3-6-14)15-8-9-18-17(12-15)13-16-7-4-10-23-20(16)21-18/h1-3,5-6,8-9,12-13H,4,7,10-11H2
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n/an/a 6n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163609
PNG
((4-Methoxy-cyclohexyl)-(2-methyl-3-propyl-quinolin...)
Show SMILES CCCc1cc2cc(ccc2nc1C)C(=O)[C@@H]1CC[C@@H](CC1)OC |wU:16.17,19.24,(8.65,1.46,;7.33,.67,;5.99,1.42,;4.66,.65,;3.3,1.39,;1.98,.6,;.64,1.35,;-.67,.56,;-.67,-.97,;.66,-1.74,;1.99,-.94,;3.35,-1.71,;4.67,-.92,;6.01,-1.68,;-2.01,1.31,;-2.02,2.85,;-3.33,.55,;-4.69,1.31,;-5.99,.55,;-5.99,-1,;-4.69,-1.76,;-3.33,-1,;-7.33,-1.76,;-8.68,-1,)|
Show InChI InChI=1S/C21H27NO2/c1-4-5-16-12-18-13-17(8-11-20(18)22-14(16)2)21(23)15-6-9-19(24-3)10-7-15/h8,11-13,15,19H,4-7,9-10H2,1-3H3/t15-,19+
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163611
PNG
(1-(3,4-Dihydro-2H-1-oxa-9-aza-anthracen-6-yl)-2-th...)
Show SMILES O=C(Cc1ccsc1)c1ccc2nc3OCCCc3cc2c1
Show InChI InChI=1S/C18H15NO2S/c20-17(8-12-5-7-22-11-12)13-3-4-16-15(9-13)10-14-2-1-6-21-18(14)19-16/h3-5,7,9-11H,1-2,6,8H2
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n/an/a 7n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163615
PNG
((4-Methoxy-cyclohexyl)-(1-methyl-1,2,3,4-tetrahydr...)
Show SMILES CO[C@H]1CC[C@H](CC1)C(=O)c1ccc2nc3N(C)CCCc3cc2c1 |wU:5.8,2.1,(-8.84,-.78,;-7.51,-1.55,;-6.18,-.78,;-6.18,.76,;-4.85,1.53,;-3.52,.76,;-3.52,-.78,;-4.85,-1.55,;-2.19,1.53,;-2.22,3.07,;-.86,.79,;-.86,-.75,;.47,-1.52,;1.8,-.73,;3.15,-1.49,;4.48,-.7,;5.82,-1.45,;5.83,-2.99,;7.15,-.66,;7.12,.88,;5.79,1.65,;4.44,.84,;3.11,1.61,;1.8,.82,;.45,1.58,)|
Show InChI InChI=1S/C21H26N2O2/c1-23-11-3-4-16-13-17-12-15(7-10-19(17)22-21(16)23)20(24)14-5-8-18(25-2)9-6-14/h7,10,12-14,18H,3-6,8-9,11H2,1-2H3/t14-,18+
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n/an/a 8n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50163604
PNG
(1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-phenyl-ethano...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)Cc1ccccc1
Show InChI InChI=1S/C20H19NO/c1-3-16-12-18-13-17(9-10-19(18)21-14(16)2)20(22)11-15-7-5-4-6-8-15/h4-10,12-13H,3,11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163599
PNG
(Bicyclo[2.2.1]hept-2-yl-(3-ethyl-2-methyl-quinolin...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C1CC2CCC1C2
Show InChI InChI=1S/C20H23NO/c1-3-14-10-17-11-16(6-7-19(17)21-12(14)2)20(22)18-9-13-4-5-15(18)8-13/h6-7,10-11,13,15,18H,3-5,8-9H2,1-2H3
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163584
PNG
((3-Ethyl-2-iodo-quinolin-6-yl)-(4-methoxy-cyclohex...)
Show SMILES CCc1cc2cc(ccc2nc1I)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-4.3,1.42,;-5.63,.65,;-5.63,-.9,;-4.3,-1.67,;-2.97,-.9,;-6.97,-1.67,;-8.3,-.9,)|
Show InChI InChI=1S/C19H22INO2/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
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n/an/a 13n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50301520
PNG
(4-fluoro-N-(4-(6-(isopropylamino)pyrimidin-4-yl)th...)
Show SMILES CC(C)Nc1cc(ncn1)-c1csc(n1)N(C)C(=O)c1ccc(F)cc1
Show InChI InChI=1S/C18H18FN5OS/c1-11(2)22-16-8-14(20-10-21-16)15-9-26-18(23-15)24(3)17(25)12-4-6-13(19)7-5-12/h4-11H,1-3H3,(H,20,21,22)
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n/an/a 13.9n/an/an/an/an/an/a



National Institute of Radiological Sciences

Curated by ChEMBL


Assay Description
Displacement of 4-[18F]fluoro-N-[4-(6-(isopropylamino)pyrimidin-4-yl)-1,3-thiazol-2-yl]-N-methylbenzamide from mGluR1 in Sprague-Dawley rat brain hom...


J Med Chem 55: 2342-52 (2012)


Article DOI: 10.1021/jm201590g
BindingDB Entry DOI: 10.7270/Q2S46T1S
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Metabotropic glutamate receptor 1


(RAT)
BDBM50163620
PNG
((3-Ethyl-2-hydroxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2[nH]c1=O)C(=O)C1CCC(CC1)OC |(7.72,.65,;6.37,1.42,;5.03,.65,;3.7,1.42,;2.37,.65,;1.04,1.42,;-.3,.65,;-.3,-.9,;1.03,-1.67,;2.37,-.9,;3.7,-1.67,;5.05,-.9,;6.38,-1.67,;-1.63,1.42,;-1.61,2.96,;-2.97,.65,;-2.97,-.9,;-4.3,-1.67,;-5.63,-.9,;-5.63,.65,;-4.3,1.42,;-6.97,-1.67,;-8.3,-.9,)|
Show InChI InChI=1S/C19H23NO3/c1-3-12-10-15-11-14(6-9-17(15)20-19(12)22)18(21)13-4-7-16(23-2)8-5-13/h6,9-11,13,16H,3-5,7-8H2,1-2H3,(H,20,22)
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n/an/a 15n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163598
PNG
(1-(3-Ethyl-2-methyl-quinolin-6-yl)-2-(4-methoxy-cy...)
Show SMILES CCc1cc2cc(ccc2nc1C)C(=O)C[C@H]1CC[C@H](CC1)OC |wU:16.17,19.24,(8.29,-.31,;6.93,.46,;5.6,-.31,;4.26,.44,;2.93,-.34,;1.6,.44,;.27,-.34,;.27,-1.88,;1.6,-2.65,;2.93,-1.88,;4.29,-2.65,;5.62,-1.88,;6.95,-2.63,;-1.07,.44,;-1.07,1.98,;-2.4,-.34,;-3.73,.44,;-5.09,-.34,;-6.42,.44,;-6.42,1.98,;-5.09,2.66,;-3.76,1.98,;-7.73,2.8,;-8.83,1.7,)|
Show InChI InChI=1S/C21H27NO2/c1-4-16-12-18-13-17(7-10-20(18)22-14(16)2)21(23)11-15-5-8-19(24-3)9-6-15/h7,10,12-13,15,19H,4-6,8-9,11H2,1-3H3/t15-,19+
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n/an/a 16n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50204428
PNG
((S)-4-(3,3-dimethylbutan-2-yl) 2-propyl 3,5-dimeth...)
Show SMILES CCCOC(=O)c1[nH]c(C)c(C(=O)O[C@@H](C)C(C)(C)C)c1C
Show InChI InChI=1S/C17H27NO4/c1-8-9-21-16(20)14-10(2)13(11(3)18-14)15(19)22-12(4)17(5,6)7/h12,18H,8-9H2,1-7H3/t12-/m0/s1
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR1a expressed in CHO cells assessed as inhibition of intracellular calcium ion mobilization by FLIPR assay


Bioorg Med Chem Lett 17: 2254-9 (2007)


Article DOI: 10.1016/j.bmcl.2007.01.055
BindingDB Entry DOI: 10.7270/Q2FT8KPZ
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422815
PNG
(CHEMBL383107)
Show SMILES CC(OC(=O)c1cn2CCN(CCCN3C(=O)c4ccccc4C3=O)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C26H31N3O5/c1-16-20(25(33)34-17(2)26(3,4)5)15-28-14-13-27(24(32)21(16)28)11-8-12-29-22(30)18-9-6-7-10-19(18)23(29)31/h6-7,9-10,15,17H,8,11-14H2,1-5H3
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n/an/a 16n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50129246
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-tert-b...)
Show SMILES CC(OC(=O)c1c[nH]c(C(=O)OC(C)(C)C)c1C)C(C)(C)C
Show InChI InChI=1S/C17H27NO4/c1-10-12(14(19)21-11(2)16(3,4)5)9-18-13(10)15(20)22-17(6,7)8/h9,11,18H,1-8H3
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n/an/a 17n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibition of rat metabotropic glutamate receptor 1 in CHO cells using the CDP-DAG accumulation method.


Bioorg Med Chem Lett 13: 2113-8 (2003)


BindingDB Entry DOI: 10.7270/Q2PN9519
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50163586
PNG
((3-Ethyl-2-methoxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
Show InChI InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50163586
PNG
((3-Ethyl-2-methoxy-quinolin-6-yl)-(4-methoxy-cyclo...)
Show SMILES CCc1cc2cc(ccc2nc1OC)C(=O)C1CCC(CC1)OC |(7.38,.69,;6.04,1.46,;4.7,.68,;3.38,1.45,;2.05,.68,;.71,1.45,;-.61,.68,;-.63,-.86,;.71,-1.63,;2.05,-.86,;3.38,-1.63,;4.72,-.86,;6.04,-1.63,;7.38,-.86,;-1.95,1.45,;-1.94,2.99,;-3.29,.68,;-3.29,-.86,;-4.61,-1.62,;-5.94,-.86,;-5.94,.68,;-4.61,1.46,;-7.28,-1.63,;-8.6,-.86,)|
Show InChI InChI=1S/C20H25NO3/c1-4-13-11-16-12-15(7-10-18(16)21-20(13)24-3)19(22)14-5-8-17(23-2)9-6-14/h7,10-12,14,17H,4-6,8-9H2,1-3H3
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n/an/a 19n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against rat metabotropic glutamate receptor 1


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


(RAT)
BDBM50422824
PNG
(CHEMBL204802)
Show SMILES CC(OC(=O)c1cn2CCN(CC=C)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C18H26N2O3/c1-7-8-19-9-10-20-11-14(12(2)15(20)16(19)21)17(22)23-13(3)18(4,5)6/h7,11,13H,1,8-10H2,2-6H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422826
PNG
(CHEMBL377503)
Show SMILES CC(OC(=O)c1cn2CCN(CCF)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C17H25FN2O3/c1-11-13(16(22)23-12(2)17(3,4)5)10-20-9-8-19(7-6-18)15(21)14(11)20/h10,12H,6-9H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422825
PNG
(CHEMBL444359)
Show SMILES CC(OC(=O)c1cn2CCN(CC3CC3)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C19H28N2O3/c1-12-15(18(23)24-13(2)19(3,4)5)11-20-8-9-21(10-14-6-7-14)17(22)16(12)20/h11,13-14H,6-10H2,1-5H3
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n/an/a 20n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50190236
PNG
(9-dimethylamino-3-(3-fluoro-4-methyl-phenyl)-3H-py...)
Show SMILES CN(C)c1cncc2sc3c(ncn(-c4ccc(C)c(F)c4)c3=O)c12
Show InChI InChI=1S/C18H15FN4OS/c1-10-4-5-11(6-12(10)19)23-9-21-16-15-13(22(2)3)7-20-8-14(15)25-17(16)18(23)24/h4-9H,1-3H3
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n/an/a 21n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at rat 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


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



Biocampus

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1


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


Article DOI: 10.1016/j.ejmech.2007.06.024
BindingDB Entry DOI: 10.7270/Q2V987VM
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(RAT)
BDBM50422817
PNG
(CHEMBL380698)
Show SMILES CC(OC(=O)c1cn2CCN(CC(F)F)C(=O)c2c1C)C(C)(C)C
Show InChI InChI=1S/C17H24F2N2O3/c1-10-12(16(23)24-11(2)17(3,4)5)8-20-6-7-21(9-13(18)19)15(22)14(10)20/h8,11,13H,6-7,9H2,1-5H3
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n/an/a 25n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
Inhibition of rat mGluR1a in CHO cells by CDP-DAG accumulation method


Bioorg Med Chem Lett 16: 1342-5 (2006)


Article DOI: 10.1016/j.bmcl.2005.11.049
BindingDB Entry DOI: 10.7270/Q25B03S5
More data for this
Ligand-Target Pair
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