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Patent code US9636337

Compile Data Set for Download or QSAR

Found 315 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 2


(Homo sapiens (Human))
BDBM212850
PNG
(US9278960, 1-21 | US9663506, Example 1-21)
Show SMILES Cc1ccc(c(F)c1)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H13FN2O/c1-10-6-7-11(14(18)8-10)13-9-16(17(19)21)20-15-5-3-2-4-12(13)15/h2-9H,1H3,(H2,19,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212855
PNG
(US9278960, 1-26 | US9663506, Example 1-26)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
Show InChI InChI=1S/C18H16N2O2/c1-11-3-8-14-15(12-4-6-13(22-2)7-5-12)10-17(18(19)21)20-16(14)9-11/h3-10H,1-2H3,(H2,19,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212869
PNG
(US9278960, 2-16 | US9663506, Example 2-16)
Show SMILES CC1(C)NC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H19FN4O3/c1-22(2)20(29)27(21(30)26-22)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(24)28)25-17(15)9-12/h3-10H,11H2,1-2H3,(H2,24,28)(H,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212893
PNG
(US9278960, 3-2 | US9663506, Example 3-2)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc4ccccc34)cc2n1
Show InChI InChI=1S/C24H17FN4O/c25-17-8-6-16(7-9-17)19-12-22(24(26)30)28-21-11-15(5-10-18(19)21)13-29-14-27-20-3-1-2-4-23(20)29/h1-12,14H,13H2,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213149
PNG
(US9278960, 3-7 | US9663506, Example 3-6)
Show SMILES CCC(O)(c1nnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)n1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N6O2/c1-2-21(34,22(24,25)26)20-29-31-32(30-20)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(27)33)28-17(15)9-12/h3-10,34H,2,11H2,1H3,(H2,27,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212906
PNG
(US9278960, 3-25 | US9663506, Example 3-25)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cnc(Br)c3)cc2n1
Show InChI InChI=1S/C20H14BrFN4O/c21-19-10-26(11-24-19)9-12-1-6-15-16(13-2-4-14(22)5-3-13)8-18(20(23)27)25-17(15)7-12/h1-8,10-11H,9H2,(H2,23,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212908
PNG
(US9278960, 3-27 | US9663506, Example 3-27)
Show SMILES COC(=O)c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O3/c1-30-22(29)20-11-27(12-25-20)10-13-2-7-16-17(14-3-5-15(23)6-4-14)9-19(21(24)28)26-18(16)8-13/h2-9,11-12H,10H2,1H3,(H2,24,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212920
PNG
(US9278960, 3-39 | US9663506, Example 3-39)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CC3)cc2n1
Show InChI InChI=1S/C27H21FN4O/c28-19-10-8-17(9-11-19)21-14-24(26(29)33)30-23-13-16(5-12-20(21)23)15-32-25-4-2-1-3-22(25)31-27(32)18-6-7-18/h1-5,8-14,18H,6-7,15H2,(H2,29,33)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212921
PNG
(US9278960, 3-40 | US9663506, Example 3-40)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)C3CCC3)cc2n1
Show InChI InChI=1S/C28H23FN4O/c29-20-11-9-18(10-12-20)22-15-25(27(30)34)31-24-14-17(8-13-21(22)24)16-33-26-7-2-1-6-23(26)32-28(33)19-4-3-5-19/h1-2,6-15,19H,3-5,16H2,(H2,30,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212948
PNG
(US9278960, 4-32 | US9663506, Example 4-32)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC[C@H]3C#N)cc2n1
Show InChI InChI=1S/C22H19FN4O/c23-16-6-4-15(5-7-16)19-11-21(22(25)28)26-20-10-14(3-8-18(19)20)13-27-9-1-2-17(27)12-24/h3-8,10-11,17H,1-2,9,13H2,(H2,25,28)/t17-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212956
PNG
(US9278960, 4-40 | US9663506, Example 4-40)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCC(O)CC3)cc2n1
Show InChI InChI=1S/C22H22FN3O2/c23-16-4-2-15(3-5-16)19-12-21(22(24)28)25-20-11-14(1-6-18(19)20)13-26-9-7-17(27)8-10-26/h1-6,11-12,17,27H,7-10,13H2,(H2,24,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212958
PNG
(US9278960, 4-42 | US9663506, Example 4-42)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCS(=O)(=O)CC3)cc2n1
Show InChI InChI=1S/C21H20FN3O3S/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-29(27,28)10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212964
PNG
(US9278960, 4-48 | US9663506, Example 4-48)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCC(C3)n3cncn3)cc2n1
Show InChI InChI=1S/C24H23FN6O/c25-18-6-4-17(5-7-18)21-11-23(24(26)32)29-22-10-16(3-8-20(21)22)12-30-9-1-2-19(13-30)31-15-27-14-28-31/h3-8,10-11,14-15,19H,1-2,9,12-13H2,(H2,26,32)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212966
PNG
(US9278960, 4-50 | US9663506, Example 4-50)
Show SMILES NC1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1
Show InChI InChI=1S/C22H23FN4O/c23-16-4-2-15(3-5-16)19-12-21(22(25)28)26-20-11-14(1-6-18(19)20)13-27-9-7-17(24)8-10-27/h1-6,11-12,17H,7-10,13,24H2,(H2,25,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212970
PNG
(US9278960, 4-54 | US9663506, Example 4-54)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCO[C@H](C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C20H20F3N5O2/c1-27-10-13(8-25-27)15-7-17(19(24)29)26-16-6-12(2-3-14(15)16)9-28-4-5-30-18(11-28)20(21,22)23/h2-3,6-8,10,18H,4-5,9,11H2,1H3,(H2,24,29)/t18-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212971
PNG
(US9278960, 4-55 | US9663506, Example 4-55)
Show SMILES COc1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C20H19F3N4O3S/c1-29-19-25-8-16(31-19)13-7-15(18(24)28)26-14-6-11(2-3-12(13)14)9-27-4-5-30-17(10-27)20(21,22)23/h2-3,6-8,17H,4-5,9-10H2,1H3,(H2,24,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212978
PNG
(US9278960, 4-62 | US9663506, Example 4-62)
Show SMILES C[C@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)CCO1
Show InChI InChI=1S/C20H23N5O2/c1-13-10-25(5-6-27-13)11-14-3-4-16-17(15-9-22-24(2)12-15)8-19(20(21)26)23-18(16)7-14/h3-4,7-9,12-13H,5-6,10-11H2,1-2H3,(H2,21,26)/t13-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212982
PNG
(US9278960, 4-66 | US9663506, Example 4-66)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(C)c2)C[C@H](O1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2/c1-12-8-29(11-19(31-12)21(22,23)24)9-13-3-4-15-16(14-7-26-28(2)10-14)6-18(20(25)30)27-17(15)5-13/h3-7,10,12,19H,8-9,11H2,1-2H3,(H2,25,30)/t12-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212991
PNG
(US9278960, 4-75 | US9663506, Example 4-75)
Show SMILES CC(C)c1ncc(s1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C22H23F3N4O2S/c1-12(2)21-27-9-18(32-21)15-8-17(20(26)30)28-16-7-13(3-4-14(15)16)10-29-5-6-31-19(11-29)22(23,24)25/h3-4,7-9,12,19H,5-6,10-11H2,1-2H3,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212993
PNG
(US9278960, 4-77 | US9663506, Example 4-77)
Show SMILES CCn1cc(cn1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C21H22F3N5O2/c1-2-29-11-14(9-26-29)16-8-18(20(25)30)27-17-7-13(3-4-15(16)17)10-28-5-6-31-19(12-28)21(22,23)24/h3-4,7-9,11,19H,2,5-6,10,12H2,1H3,(H2,25,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212994
PNG
(US9278960, 4-78 | US9663506, Example 4-78)
Show SMILES CC(C)n1cc(cn1)-c1cc(nc2cc(CN3CCOC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C22H24F3N5O2/c1-13(2)30-11-15(9-27-30)17-8-19(21(26)31)28-18-7-14(3-4-16(17)18)10-29-5-6-32-20(12-29)22(23,24)25/h3-4,7-9,11,13,20H,5-6,10,12H2,1-2H3,(H2,26,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212998
PNG
(US9278960, 4-82 | US9663506, Example 4-82)
Show SMILES NC(=O)c1cc(-c2cnn(c2)C2CC2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C22H22F3N5O2/c23-22(24,25)20-12-29(5-6-32-20)10-13-1-4-16-17(8-19(21(26)31)28-18(16)7-13)14-9-27-30(11-14)15-2-3-15/h1,4,7-9,11,15,20H,2-3,5-6,10,12H2,(H2,26,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212999
PNG
(US9278960, 4-83 | US9663506, Example 4-83)
Show SMILES NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCO[C@H](C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C19H18F3N5O2/c20-19(21,22)17-10-27(3-4-29-17)9-11-1-2-13-14(12-7-24-25-8-12)6-16(18(23)28)26-15(13)5-11/h1-2,5-8,17H,3-4,9-10H2,(H2,23,28)(H,24,25)/t17-/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213000
PNG
(US9278960, 4-84 | US9663506, Example 4-84)
Show SMILES NC(=O)c1cc(-c2cnn(c2)C(F)F)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C20H18F5N5O2/c21-19(22)30-9-12(7-27-30)14-6-16(18(26)31)28-15-5-11(1-2-13(14)15)8-29-3-4-32-17(10-29)20(23,24)25/h1-2,5-7,9,17,19H,3-4,8,10H2,(H2,26,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213026
PNG
(US9278960, 4-110 | US9663506, Example 4-110)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C3CC3)cc2n1
Show InChI InChI=1S/C24H25FN4O/c25-18-6-4-16(5-7-18)20-12-22(24(26)30)28-21-11-15(1-8-19(20)21)13-29-10-9-27-23(14-29)17-2-3-17/h1,4-8,11-12,17,23,27H,2-3,9-10,13-14H2,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213047
PNG
(US9278960, 4-131 | US9663506, Example 4-131)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCCCC3CF)ccc12)C(N)=O
Show InChI InChI=1S/C21H24FN5O/c1-26-13-15(11-24-26)18-9-20(21(23)28)25-19-8-14(5-6-17(18)19)12-27-7-3-2-4-16(27)10-22/h5-6,8-9,11,13,16H,2-4,7,10,12H2,1H3,(H2,23,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213071
PNG
(US9278960, 6-18 | US9663506, Example 6-18)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(Cc3ccc(F)c(c3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C22H16F4N4O/c1-30-11-14(10-28-30)16-9-20(21(27)31)29-19-8-13(2-4-15(16)19)6-12-3-5-18(23)17(7-12)22(24,25)26/h2-5,7-11H,6H2,1H3,(H2,27,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213100
PNG
(US9278960, 7-38 | US9636337, 7-38)
Show SMILES COc1ccc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cn1
Show InChI InChI=1S/C21H18FN5O2/c1-27-11-14(10-25-27)16-8-17(21(23)28)26-20-15(16)5-4-13(19(20)22)7-12-3-6-18(29-2)24-9-12/h3-6,8-11H,7H2,1-2H3,(H2,23,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213114
PNG
(US9278960, 8-21 | US9278960, 8-22 | US9636337, 8-2...)
Show SMILES Cc1ccc(CC(O)c2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C24H20FN3O2/c1-14-2-3-15(13-27-14)10-23(29)17-6-9-19-20(16-4-7-18(25)8-5-16)12-22(24(26)30)28-21(19)11-17/h2-9,11-13,23,29H,10H2,1H3,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213113
PNG
(US9278960, 8-20 | US9278960, 8-27 | US9278960, 8-2...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(O)Cc1ccc(Cl)nc1)C(N)=O
Show InChI InChI=1S/C24H20ClN3O3/c1-31-17-6-3-15(4-7-17)19-12-21(24(26)30)28-20-11-16(5-8-18(19)20)22(29)10-14-2-9-23(25)27-13-14/h2-9,11-13,22,29H,10H2,1H3,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213126
PNG
(US9278960, 8-33 | US9636337, 8-33)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3cnc(nc3)C#N)ccc12)C(N)=O
Show InChI InChI=1S/C24H18FN5O2/c1-32-16-5-7-17(20(25)9-16)19-10-22(24(27)31)30-21-8-14(4-6-18(19)21)2-3-15-12-28-23(11-26)29-13-15/h4-10,12-13H,2-3H2,1H3,(H2,27,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213129
PNG
(US9278960, 8-36 | US9278960, 8-37 | US9636337, 8-3...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1N)C(N)=O
Show InChI InChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213129
PNG
(US9278960, 8-36 | US9278960, 8-37 | US9636337, 8-3...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1N)C(N)=O
Show InChI InChI=1S/C25H24N4O2/c1-15(12-18-4-3-11-28-24(18)26)17-7-10-20-21(16-5-8-19(31-2)9-6-16)14-23(25(27)30)29-22(20)13-17/h3-11,13-15H,12H2,1-2H3,(H2,26,28)(H2,27,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213133
PNG
(US9278960, 8-40 | US9278960, 8-41 | US9636337, 8-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1)C(N)=O
Show InChI InChI=1S/C25H23N3O2/c1-16(12-17-4-3-11-27-15-17)19-7-10-21-22(18-5-8-20(30-2)9-6-18)14-24(25(26)29)28-23(21)13-19/h3-11,13-16H,12H2,1-2H3,(H2,26,29)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213137
PNG
(US9278960, 8-44 | US9278960, 8-45 | US9636337, 8-4...)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1)C(N)=O
Show InChI InChI=1S/C25H22FN3O2/c1-15(10-16-4-3-9-28-14-16)17-5-7-20-21(13-24(25(27)30)29-23(20)11-17)19-8-6-18(31-2)12-22(19)26/h3-9,11-15H,10H2,1-2H3,(H2,27,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM213148
PNG
(US9278960, 8-55 | US9636337, 8-55)
Show SMILES COc1ccc(cc1OC)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
Show InChI InChI=1S/C25H24N4O3/c1-15-27-13-17(14-28-15)5-4-16-6-8-19-20(12-22(25(26)30)29-21(19)10-16)18-7-9-23(31-2)24(11-18)32-3/h6-14H,4-5H2,1-3H3,(H2,26,30)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212843
PNG
(US9278960, 1-14 | US9663506, Example 1-14)
Show SMILES Cc1c(cnn1-c1ccccc1)-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C20H16N4O/c1-13-17(12-22-24(13)14-7-3-2-4-8-14)16-11-19(20(21)25)23-18-10-6-5-9-15(16)18/h2-12H,1H3,(H2,21,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212847
PNG
(US9278960, 1-18 | US9663506, Example 1-18)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cc2F)c2ccccc2n1
Show InChI InChI=1S/C16H10ClFN2O/c17-9-5-6-10(13(18)7-9)12-8-15(16(19)21)20-14-4-2-1-3-11(12)14/h1-8H,(H2,19,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212854
PNG
(US9278960, 1-25 | US9663506, Example 1-25)
Show SMILES Cc1ccc(cc1)-c1cc(nc2cc(C)ccc12)C(N)=O
Show InChI InChI=1S/C18H16N2O/c1-11-3-6-13(7-4-11)15-10-17(18(19)21)20-16-9-12(2)5-8-14(15)16/h3-10H,1-2H3,(H2,19,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212857
PNG
(US9278960, 1-28 | US9663506, Example 1-28)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccccc1F
Show InChI InChI=1S/C17H13FN2O/c1-10-6-7-12-13(11-4-2-3-5-14(11)18)9-16(17(19)21)20-15(12)8-10/h2-9H,1H3,(H2,19,21)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212866
PNG
(US9278960, 2-13 | US9663506, Example 2-13)
Show SMILES CC1(CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O)c1ccccc1
Show InChI InChI=1S/C28H22FN3O3/c1-28(19-5-3-2-4-6-19)15-25(33)32(27(28)35)16-17-7-12-21-22(18-8-10-20(29)11-9-18)14-24(26(30)34)31-23(21)13-17/h2-14H,15-16H2,1H3,(H2,30,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212880
PNG
(US9278960, 2-27 | US9663506, Example 2-27)
Show SMILES CC1CCC(=CC1)c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
Show InChI InChI=1S/C22H23N3O3/c1-13-2-5-15(6-3-13)17-11-19(22(23)28)24-18-10-14(4-7-16(17)18)12-25-20(26)8-9-21(25)27/h4-5,7,10-11,13H,2-3,6,8-9,12H2,1H3,(H2,23,28)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212883
PNG
(US9278960, 2-30 | US9663506, Example 2-30)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOC3=O)cc2n1
Show InChI InChI=1S/C20H16FN3O3/c21-14-4-2-13(3-5-14)16-10-18(19(22)25)23-17-9-12(1-6-15(16)17)11-24-7-8-27-20(24)26/h1-6,9-10H,7-8,11H2,(H2,22,25)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212895
PNG
(US9278960, 3-10 | US9663506, Example 3-10)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(cn3)C(O)C3CC3)cc2n1
Show InChI InChI=1S/C24H21FN4O2/c25-18-6-4-15(5-7-18)20-10-22(24(26)31)28-21-9-14(1-8-19(20)21)12-29-13-17(11-27-29)23(30)16-2-3-16/h1,4-11,13,16,23,30H,2-3,12H2,(H2,26,31)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212896
PNG
(US9278960, 3-15 | US9636337, 3-15)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2C)nn1)C(F)(F)F
Show InChI InChI=1S/C24H22F3N5O2/c1-3-23(34,24(25,26)27)21-13-32(31-30-21)12-15-8-9-17-18(16-7-5-4-6-14(16)2)11-20(22(28)33)29-19(17)10-15/h4-11,13,34H,3,12H2,1-2H3,(H2,28,33)/t23-/m0/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212902
PNG
(US9278960, 3-21 | US9663506, Example 3-21)
Show SMILES CCOC(=O)c1cnn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)c1
Show InChI InChI=1S/C23H19FN4O3/c1-2-31-23(30)16-11-26-28(13-16)12-14-3-8-18-19(15-4-6-17(24)7-5-15)10-21(22(25)29)27-20(18)9-14/h3-11,13H,2,12H2,1H3,(H2,25,29)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212909
PNG
(US9278960, 3-28 | US9663506, Example 3-28)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3cc(nn3)C(O)=O)cc2n1
Show InChI InChI=1S/C20H14FN5O3/c21-13-4-2-12(3-5-13)15-8-17(19(22)27)23-16-7-11(1-6-14(15)16)9-26-10-18(20(28)29)24-25-26/h1-8,10H,9H2,(H2,22,27)(H,28,29)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212912
PNG
(US9278960, 3-31 | US9663506, Example 3-31)
Show SMILES Cc1nccn1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C21H17FN4O/c1-13-24-8-9-26(13)12-14-2-7-17-18(15-3-5-16(22)6-4-15)11-20(21(23)27)25-19(17)10-14/h2-11H,12H2,1H3,(H2,23,27)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212929
PNG
(US9278960, 3-48 | US9278960, 3-50 | US9663506, Exa...)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)cc2F)cn1)C(F)(F)F
Show InChI InChI=1S/C25H22F4N4O3/c1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-17-18(10-21(23(30)34)32-20(17)8-14)16-7-5-15(36-2)9-19(16)26/h4-10,12-13,35H,3,11H2,1-2H3,(H2,30,34)
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212933
PNG
(US9278960, 4-1 | US9663506, Example 4-1)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCOCC3)cc2n1
Show InChI InChI=1S/C21H20FN3O2/c22-16-4-2-15(3-5-16)18-12-20(21(23)26)24-19-11-14(1-6-17(18)19)13-25-7-9-27-10-8-25/h1-6,11-12H,7-10,13H2,(H2,23,26)
PDB

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n/an/a 163n/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The utility of the compounds in accordance with the present invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR...


US Patent US9636337 (2017)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%