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PubMed code 12798316

Compile data set for download or QSAR
Found 25 hits of Enzyme Inhibition Constant Data   
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)
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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n/an/a 4n/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)
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)
BDBM50129237
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-b...)
Show SMILES Cc1c(c[nH]c1C(=O)OCC1CC1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H21NO4/c1-9-11(13(17)20-15(2,3)4)7-16-12(9)14(18)19-8-10-5-6-10/h7,10,16H,5-6,8H2,1-4H3
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n/an/a 48n/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)
BDBM50129231
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-b...)
Show SMILES CCCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C14H21NO4/c1-6-7-18-13(17)11-9(2)10(8-15-11)12(16)19-14(3,4)5/h8,15H,6-7H2,1-5H3
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n/an/a 75n/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)
BDBM50129226
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid di-tert-...)
Show SMILES Cc1c(c[nH]c1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C
Show InChI InChI=1S/C15H23NO4/c1-9-10(12(17)19-14(2,3)4)8-16-11(9)13(18)20-15(5,6)7/h8,16H,1-7H3
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n/an/a 100n/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)
BDBM50129224
PNG
(5-Chloro-3-methyl-1H-pyrrole-2,4-dicarboxylic acid...)
Show SMILES CCCOC(=O)c1[nH]c(Cl)c(C(=O)OC(C)C(C)(C)C)c1C
Show InChI InChI=1S/C16H24ClNO4/c1-7-8-21-15(20)12-9(2)11(13(17)18-12)14(19)22-10(3)16(4,5)6/h10,18H,7-8H2,1-6H3
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n/an/a 160n/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)
BDBM50129235
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pentaf...)
Show SMILES CC(OC(=O)c1c[nH]c(C(=O)Oc2c(F)c(F)c(F)c(F)c2F)c1C)C(C)(C)C
Show InChI InChI=1S/C19H18F5NO4/c1-7-9(17(26)28-8(2)19(3,4)5)6-25-15(7)18(27)29-16-13(23)11(21)10(20)12(22)14(16)24/h6,8,25H,1-5H3
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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)
BDBM50129240
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-(1-eth...)
Show SMILES CCN1CCC(C1)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
Show InChI InChI=1S/C19H30N2O4/c1-7-21-9-8-14(11-21)25-18(23)16-12(2)15(10-20-16)17(22)24-13(3)19(4,5)6/h10,13-14,20H,7-9,11H2,1-6H3
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n/an/a 260n/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)
BDBM50129241
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-b...)
Show SMILES CCOC(=O)c1[nH]cc(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C13H19NO4/c1-6-17-12(16)10-8(2)9(7-14-10)11(15)18-13(3,4)5/h7,14H,6H2,1-5H3
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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)
BDBM50129239
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-(2-dim...)
Show SMILES CC(CN(C)C)OC(=O)c1[nH]cc(C(=O)OC(C)C(C)(C)C)c1C
Show InChI InChI=1S/C18H30N2O4/c1-11(10-20(7)8)23-17(22)15-12(2)14(9-19-15)16(21)24-13(3)18(4,5)6/h9,11,13,19H,10H2,1-8H3
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n/an/a 390n/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)
BDBM50129244
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pyridi...)
Show SMILES CC(OC(=O)c1c[nH]c(C(=O)Oc2cccnc2)c1C)C(C)(C)C
Show InChI InChI=1S/C18H22N2O4/c1-11-14(16(21)23-12(2)18(3,4)5)10-20-15(11)17(22)24-13-7-6-8-19-9-13/h6-10,12,20H,1-5H3
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n/an/a 720n/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)
BDBM50129230
PNG
(1,3,5-Trimethyl-1H-pyrrole-2,4-dicarboxylic acid 4...)
Show SMILES CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C
Show InChI InChI=1S/C16H25NO4/c1-8-9-20-15(19)13-10(2)12(11(3)17(13)7)14(18)21-16(4,5)6/h8-9H2,1-7H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against rat mGluR1a 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)
BDBM50129233
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 4-tert-b...)
Show SMILES Cc1c(c[nH]c1C(=O)OCc1ccco1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H19NO5/c1-10-12(14(18)22-16(2,3)4)8-17-13(10)15(19)21-9-11-6-5-7-20-11/h5-8,17H,9H2,1-4H3
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n/an/a 1.20E+3n/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)
BDBM50129222
PNG
(3-Methyl-1H-pyrrole-2,4-dicarboxylic acid 2-pyrimi...)
Show SMILES CC(OC(=O)c1c[nH]c(C(=O)Oc2ccncn2)c1C)C(C)(C)C
Show InChI InChI=1S/C17H21N3O4/c1-10-12(15(21)23-11(2)17(3,4)5)8-19-14(10)16(22)24-13-6-7-18-9-20-13/h6-9,11,19H,1-5H3
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n/an/a 1.45E+3n/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)
BDBM50129225
PNG
(5-Formyl-3-methyl-1H-pyrrole-2,4-dicarboxylic acid...)
Show SMILES CCCOC(=O)c1[nH]c(C=O)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C15H21NO5/c1-6-7-20-14(19)12-9(2)11(10(8-17)16-12)13(18)21-15(3,4)5/h8,16H,6-7H2,1-5H3
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n/an/a 2.00E+3n/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)
BDBM50129242
PNG
(3,5-Dimethyl-pyrrole-1,2,4-tricarboxylic acid 1,4-...)
Show SMILES CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1C(=O)OC(C)(C)C
Show InChI InChI=1S/C20H31NO6/c1-10-11-25-17(23)15-12(2)14(16(22)26-19(4,5)6)13(3)21(15)18(24)27-20(7,8)9/h10-11H2,1-9H3
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n/an/a 2.30E+3n/an/an/an/an/an/a



GlaxoSmithKline Medicine Research Centre

Curated by ChEMBL


Assay Description
In vitro inhibitory concentration required against rat mGluR1a 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)
BDBM50129229
PNG
(5-(Cyclopropylmethyl-carbamoyl)-3-methyl-1H-pyrrol...)
Show SMILES CCCOC(=O)c1[nH]c(C(=O)NCC2CC2)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C19H28N2O5/c1-6-9-25-18(24)14-11(2)13(17(23)26-19(3,4)5)15(21-14)16(22)20-10-12-7-8-12/h12,21H,6-10H2,1-5H3,(H,20,22)
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n/an/a 2.50E+3n/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)
BDBM50129223
PNG
(5-Acetoxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl...)
Show SMILES CCCOC(=O)c1[nH]c(COC(C)=O)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C17H25NO6/c1-7-8-22-16(21)14-10(2)13(15(20)24-17(4,5)6)12(18-14)9-23-11(3)19/h18H,7-9H2,1-6H3
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n/an/a 2.70E+3n/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)
BDBM50129238
PNG
(4-Methyl-5-(pyridin-2-ylsulfanylcarbonyl)-1H-pyrro...)
Show SMILES Cc1c(c[nH]c1C(=O)Sc1ccccn1)C(=O)OC(C)(C)C
Show InChI InChI=1S/C16H18N2O3S/c1-10-11(14(19)21-16(2,3)4)9-18-13(10)15(20)22-12-7-5-6-8-17-12/h5-9,18H,1-4H3
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n/an/a 3.00E+3n/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)
BDBM50129232
PNG
(4-Methyl-1H-pyrrole-2,3,5-tricarboxylic acid 3-ter...)
Show SMILES CCCOC(=O)c1[nH]c(C(=O)OC)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C16H23NO6/c1-7-8-22-15(20)11-9(2)10(12(17-11)14(19)21-6)13(18)23-16(3,4)5/h17H,7-8H2,1-6H3
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n/an/a 3.20E+3n/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)
BDBM50129236
PNG
(3-Methyl-5-(pyridin-2-ylsulfanylcarbonyl)-1H-pyrro...)
Show SMILES CCCOC(=O)c1[nH]c(C(=O)Sc2ccccn2)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C20H24N2O5S/c1-6-11-26-18(24)15-12(2)14(17(23)27-20(3,4)5)16(22-15)19(25)28-13-9-7-8-10-21-13/h7-10,22H,6,11H2,1-5H3
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n/an/a 3.20E+3n/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)
BDBM50129228
PNG
(1-(3-Methoxy-propyl)-3,5-dimethyl-1H-pyrrole-2,4-d...)
Show SMILES CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CCCO
Show InChI InChI=1S/C18H29NO5/c1-7-11-23-17(22)15-12(2)14(16(21)24-18(4,5)6)13(3)19(15)9-8-10-20/h20H,7-11H2,1-6H3
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n/an/a 5.80E+3n/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)
BDBM50129234
PNG
(5-Hydroxymethyl-3-methyl-1H-pyrrole-2,4-dicarboxyl...)
Show SMILES CCCOC(=O)c1[nH]c(CO)c(C(=O)OC(C)(C)C)c1C
Show InChI InChI=1S/C15H23NO5/c1-6-7-20-14(19)12-9(2)11(10(8-17)16-12)13(18)21-15(3,4)5/h16-17H,6-8H2,1-5H3
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CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 7.90E+3n/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)
BDBM50129243
PNG
(1-Allyloxycarbonylmethyl-3,5-dimethyl-1H-pyrrole-2...)
Show SMILES CCCOC(=O)c1c(C)c(C(=O)OC(C)(C)C)c(C)n1CC(=O)OCC=C
Show InChI InChI=1S/C20H29NO6/c1-8-10-25-15(22)12-21-14(4)16(18(23)27-20(5,6)7)13(3)17(21)19(24)26-11-9-2/h8H,1,9-12H2,2-7H3
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.26E+4n/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)
BDBM50129245
PNG
(3,5-Dimethyl-1H-pyrrole-2,4-dicarboxylic acid 2-pr...)
Show SMILES CCCOC(=O)c1[nH]c(C)c(C(=O)OC(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
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 1.58E+4n/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
* indicates data uncertainty>20%