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12 similar compounds to monomer 50332999

Compile data set for download or QSAR
Wt: 395.3
BDBM50332962
Wt: 409.4
BDBM50332970
Wt: 423.4
BDBM50332975
Wt: 409.4
BDBM50332977
Wt: 435.4
BDBM50332979
Wt: 396.3
BDBM50332980
Wt: 423.4
BDBM50332987
Wt: 437.4
BDBM50332988
Wt: 410.3
BDBM50332996
Wt: 396.3
BDBM50333002
Wt: 395.3
BDBM50333003
Wt: 471.4
BDBM50333009

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 28 hits for monomerid = 50332962,50332970,50332975,50332977,50332979,50332980,50332987,50332988,50332996,50333002,50333003,50333009   
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 2


(Homo sapiens (Human))
BDBM50332962
PNG
(7-methyl-4-(3-(pyridin-3-yl)phenyl)-8-(trifluorome...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H16F3N3O/c1-13-8-19-20(10-17(13)22(23,24)25)28-21(29)11-18(27-19)15-5-2-4-14(9-15)16-6-3-7-26-12-16/h2-10,12H,11H2,1H3,(H,28,29)
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n/an/a 2n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 1.90E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 4n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332975
PNG
(4-(3-(2-ethylpyridin-4-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES CCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O/c1-3-18-11-16(7-8-28-18)15-5-4-6-17(10-15)20-13-23(31)30-22-12-19(24(25,26)27)14(2)9-21(22)29-20/h4-12H,3,13H2,1-2H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332977
PNG
(7-methyl-4-(3-(6-methylpyridin-3-yl)phenyl)-8-(tri...)
Show SMILES Cc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(10-18(13)23(24,25)26)29-22(30)11-19(28-20)16-5-3-4-15(9-16)17-7-6-14(2)27-12-17/h3-10,12H,11H2,1-2H3,(H,29,30)
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n/an/a 5n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332979
PNG
(4-(3-(6-cyclopropylpyridin-3-yl)phenyl)-7-methyl-8...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C25H20F3N3O/c1-14-9-22-23(11-19(14)25(26,27)28)31-24(32)12-21(30-22)17-4-2-3-16(10-17)18-7-8-20(29-13-18)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,31,32)
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n/an/a 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332980
PNG
(7-methyl-4-(3-(pyrimidin-4-yl)phenyl)-8-(trifluoro...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncn1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-18-19(9-15(12)21(22,23)24)28-20(29)10-17(27-18)14-4-2-3-13(8-14)16-5-6-25-11-26-16/h2-9,11H,10H2,1H3,(H,28,29)
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n/an/a 6n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332975
PNG
(4-(3-(2-ethylpyridin-4-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES CCc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O/c1-3-18-11-16(7-8-28-18)15-5-4-6-17(10-15)20-13-23(31)30-22-12-19(24(25,26)27)14(2)9-21(22)29-20/h4-12H,3,13H2,1-2H3,(H,30,31)
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n/an/a 8n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332987
PNG
(4-(3-(6-ethylpyridin-3-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES CCc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O/c1-3-18-8-7-17(13-28-18)15-5-4-6-16(10-15)20-12-23(31)30-22-11-19(24(25,26)27)14(2)9-21(22)29-20/h4-11,13H,3,12H2,1-2H3,(H,30,31)
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n/an/a 9n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332988
PNG
(4-(3-(6-isopropylpyridin-3-yl)phenyl)-7-methyl-8-(...)
Show SMILES CC(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O/c1-14(2)20-8-7-18(13-29-20)16-5-4-6-17(10-16)21-12-24(32)31-23-11-19(25(26,27)28)15(3)9-22(23)30-21/h4-11,13-14H,12H2,1-3H3,(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332988
PNG
(4-(3-(6-isopropylpyridin-3-yl)phenyl)-7-methyl-8-(...)
Show SMILES CC(C)c1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C25H22F3N3O/c1-14(2)20-8-7-18(13-29-20)16-5-4-6-17(10-16)21-12-24(32)31-23-11-19(25(26,27)28)15(3)9-22(23)30-21/h4-11,13-14H,12H2,1-3H3,(H,31,32)
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n/an/a 10n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332977
PNG
(7-methyl-4-(3-(6-methylpyridin-3-yl)phenyl)-8-(tri...)
Show SMILES Cc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(10-18(13)23(24,25)26)29-22(30)11-19(28-20)16-5-3-4-15(9-16)17-7-6-14(2)27-12-17/h3-10,12H,11H2,1-2H3,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 13n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332996
PNG
(4-(3-(6-aminopyridin-3-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H17F3N4O/c1-12-7-18-19(9-16(12)22(23,24)25)29-21(30)10-17(28-18)14-4-2-3-13(8-14)15-5-6-20(26)27-11-15/h2-9,11H,10H2,1H3,(H2,26,27)(H,29,30)
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n/an/a 14n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 3


(Rattus norvegicus (Rat))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 14n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at rat mGluR3 receptor expressed in CHO cells assessed as inhibition of GIRK current


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332987
PNG
(4-(3-(6-ethylpyridin-3-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES CCc1ccc(cn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C24H20F3N3O/c1-3-18-8-7-17(13-28-18)15-5-4-6-16(10-15)20-12-23(31)30-22-11-19(24(25,26)27)14(2)9-21(22)29-20/h4-11,13H,3,12H2,1-2H3,(H,30,31)
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n/an/a 18n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332979
PNG
(4-(3-(6-cyclopropylpyridin-3-yl)phenyl)-7-methyl-8...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(nc1)C1CC1
Show InChI InChI=1S/C25H20F3N3O/c1-14-9-22-23(11-19(14)25(26,27)28)31-24(32)12-21(30-22)17-4-2-3-16(10-17)18-7-8-20(29-13-18)15-5-6-15/h2-4,7-11,13,15H,5-6,12H2,1H3,(H,31,32)
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n/an/a 20n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50333002
PNG
(7-methyl-4-(3-(6-(pyrimidin-5-yl)pyridin-3-yl)phen...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H15F3N4O/c1-12-5-18-19(7-16(12)21(22,23)24)28-20(29)8-17(27-18)14-4-2-3-13(6-14)15-9-25-11-26-10-15/h2-7,9-11H,8H2,1H3,(H,28,29)
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n/an/a 23n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50333003
PNG
(4-(3-(2,2'-bipyridin-4-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C22H16F3N3O/c1-13-9-19-20(11-16(13)22(23,24)25)28-21(29)12-18(27-19)15-6-4-5-14(10-15)17-7-2-3-8-26-17/h2-11H,12H2,1H3,(H,28,29)
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n/an/a 26n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50333003
PNG
(4-(3-(2,2'-bipyridin-4-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccccn1
Show InChI InChI=1S/C22H16F3N3O/c1-13-9-19-20(11-16(13)22(23,24)25)28-21(29)12-18(27-19)15-6-4-5-14(10-15)17-7-2-3-8-26-17/h2-11H,12H2,1H3,(H,28,29)
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n/an/a 30n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332970
PNG
(7-methyl-4-(3-(2-methylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc(ccn1)-c1cccc(c1)C1=Nc2cc(C)c(cc2NC(=O)C1)C(F)(F)F
Show InChI InChI=1S/C23H18F3N3O/c1-13-8-20-21(11-18(13)23(24,25)26)29-22(30)12-19(28-20)17-5-3-4-15(10-17)16-6-7-27-14(2)9-16/h3-11H,12H2,1-2H3,(H,29,30)
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n/an/a 41n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at human mGluR2 receptor expressed in CHO cells assessed as inhibition of GIRK current


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50333002
PNG
(7-methyl-4-(3-(6-(pyrimidin-5-yl)pyridin-3-yl)phen...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cncnc1
Show InChI InChI=1S/C21H15F3N4O/c1-12-5-18-19(7-16(12)21(22,23)24)28-20(29)8-17(27-18)14-4-2-3-13(6-14)15-9-25-11-26-10-15/h2-7,9-11H,8H2,1H3,(H,28,29)
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n/an/a 48n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332980
PNG
(7-methyl-4-(3-(pyrimidin-4-yl)phenyl)-8-(trifluoro...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccncn1
Show InChI InChI=1S/C21H15F3N4O/c1-12-7-18-19(9-15(12)21(22,23)24)28-20(29)10-17(27-18)14-4-2-3-13(8-14)16-5-6-25-11-26-16/h2-9,11H,10H2,1H3,(H,28,29)
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n/an/a 50n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50333009
PNG
(7-methyl-4-(3-(2-phenylpyridin-4-yl)phenyl)-8-(tri...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccnc(c1)-c1ccccc1
Show InChI InChI=1S/C28H20F3N3O/c1-17-12-25-26(15-22(17)28(29,30)31)34-27(35)16-24(33-25)21-9-5-8-19(13-21)20-10-11-32-23(14-20)18-6-3-2-4-7-18/h2-15H,16H2,1H3,(H,34,35)
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n/an/a 118n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Partial displacement of [3H]LY354740 from recombinant rat mGluR2


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332996
PNG
(4-(3-(6-aminopyridin-3-yl)phenyl)-7-methyl-8-(trif...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1ccc(N)nc1
Show InChI InChI=1S/C22H17F3N4O/c1-12-7-18-19(9-16(12)22(23,24)25)29-21(30)10-17(28-18)14-4-2-3-13(8-14)15-5-6-20(26)27-11-15/h2-9,11H,10H2,1H3,(H2,26,27)(H,29,30)
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n/an/a 160n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50332962
PNG
(7-methyl-4-(3-(pyridin-3-yl)phenyl)-8-(trifluorome...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H16F3N3O/c1-13-8-19-20(10-17(13)22(23,24)25)28-21(29)11-18(27-19)15-5-2-4-14(9-15)16-6-3-7-26-12-16/h2-10,12H,11H2,1H3,(H,28,29)
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n/an/a 1.80E+3n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Inhibition of CYP3A4


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM50332962
PNG
(7-methyl-4-(3-(pyridin-3-yl)phenyl)-8-(trifluorome...)
Show SMILES Cc1cc2N=C(CC(=O)Nc2cc1C(F)(F)F)c1cccc(c1)-c1cccnc1
Show InChI InChI=1S/C22H16F3N3O/c1-13-8-19-20(10-17(13)22(23,24)25)28-21(29)11-18(27-19)15-5-2-4-14(9-15)16-6-3-7-26-12-16/h2-10,12H,11H2,1H3,(H,28,29)
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n/an/a 3n/an/an/an/an/an/a



F. Hoffmann-La Roche Inc

Curated by ChEMBL


Assay Description
Antagonist activity at recombinant rat mGluR2 expressed in forskolin-stimulated CHO cells assessed as inhibition of (1S,3R)-ACPD induced cAMP product...


Bioorg Med Chem Lett 20: 6969-74 (2010)


Article DOI: 10.1016/j.bmcl.2010.09.125
BindingDB Entry DOI: 10.7270/Q2X63N6R
More data for this
Ligand-Target Pair