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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))
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))
BDBM212871
PNG
(US9278960, 2-18 | US9663506, Example 2-18)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CC4(CCCC4)C3=O)cc2n1
Show InChI InChI=1S/C25H22FN3O3/c26-17-6-4-16(5-7-17)19-12-21(23(27)31)28-20-11-15(3-8-18(19)20)14-29-22(30)13-25(24(29)32)9-1-2-10-25/h3-8,11-12H,1-2,9-10,13-14H2,(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))
BDBM212887
PNG
(US9278960, 2-34 | US9663506, Example 2-34)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCCS3(=O)=O)cc2n1
Show InChI InChI=1S/C20H18FN3O3S/c21-15-5-3-14(4-6-15)17-11-19(20(22)25)23-18-10-13(2-7-16(17)18)12-24-8-1-9-28(24,26)27/h2-7,10-11H,1,8-9,12H2,(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))
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))
BDBM212916
PNG
(US9278960, 3-35 | US9663506, Example 3-35)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cn3c(nc4ccccc34)S(O)(=O)=O)cc2n1
Show InChI InChI=1S/C24H17FN4O4S/c25-16-8-6-15(7-9-16)18-12-21(23(26)30)27-20-11-14(5-10-17(18)20)13-29-22-4-2-1-3-19(22)28-24(29)34(31,32)33/h1-12H,13H2,(H2,26,30)(H,31,32,33)
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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))
BDBM212923
PNG
(US9278960, 3-42 | US9663506, Example 3-42)
Show SMILES Cc1nc2ccccc2n1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C25H19FN4O/c1-15-28-21-4-2-3-5-24(21)30(15)14-16-6-11-19-20(17-7-9-18(26)10-8-17)13-23(25(27)31)29-22(19)12-16/h2-13H,14H2,1H3,(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))
BDBM212949
PNG
(US9278960, 4-33 | US9663506, Example 4-33)
Show SMILES CO[C@H]1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1
Show InChI InChI=1S/C22H22FN3O2/c1-28-17-8-9-26(13-17)12-14-2-7-18-19(15-3-5-16(23)6-4-15)11-21(22(24)27)25-20(18)10-14/h2-7,10-11,17H,8-9,12-13H2,1H3,(H2,24,27)/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))
BDBM212950
PNG
(US9278960, 4-34 | US9663506, Example 4-34)
Show SMILES CN(C)C1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1
Show InChI InChI=1S/C23H25FN4O/c1-27(2)18-9-10-28(14-18)13-15-3-8-19-20(16-4-6-17(24)7-5-16)12-22(23(25)29)26-21(19)11-15/h3-8,11-12,18H,9-10,13-14H2,1-2H3,(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))
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))
BDBM212965
PNG
(US9278960, 4-49 | US9663506, Example 4-49)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCn4cc(nc4C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C24H19F4N5O/c25-16-4-2-15(3-5-16)18-10-20(23(29)34)30-19-9-14(1-6-17(18)19)11-32-7-8-33-12-21(24(26,27)28)31-22(33)13-32/h1-6,9-10,12H,7-8,11,13H2,(H2,29,34)
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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))
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))
BDBM212975
PNG
(US9278960, 4-59 | US9663506, Example 4-59)
Show SMILES C[C@H]1COCCN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1
Show InChI InChI=1S/C20H23N5O2/c1-13-12-27-6-5-25(13)10-14-3-4-16-17(15-9-22-24(2)11-15)8-19(20(21)26)23-18(16)7-14/h3-4,7-9,11,13H,5-6,10,12H2,1-2H3,(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))
BDBM212977
PNG
(US9278960, 4-61 | US9636337, 4-61)
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-/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))
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))
BDBM212981
PNG
(US9278960, 4-65 | US9636337, 4-65)
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-/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))
BDBM212983
PNG
(US9278960, 4-67 | US9663506, Example 4-67)
Show SMILES NC(=O)c1cc(-c2cn[nH]c2)c2ccc(CN3CCOC(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)
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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))
BDBM212985
PNG
(US9278960, 4-69 | US9636337, 4-69)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCC(F)(F)CC3)ccc12)C(N)=O
Show InChI InChI=1S/C20H21F2N5O/c1-26-12-14(10-24-26)16-9-18(19(23)28)25-17-8-13(2-3-15(16)17)11-27-6-4-20(21,22)5-7-27/h2-3,8-10,12H,4-7,11H2,1H3,(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))
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))
BDBM213006
PNG
(US9278960, 4-90 | US9663506, Example 4-90)
Show SMILES C[C@@H]1CO[C@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1cnn(C)c1)C(F)(F)F
Show InChI InChI=1S/C21H22F3N5O2/c1-12-11-31-19(21(22,23)24)10-29(12)8-13-3-4-15-16(14-7-26-28(2)9-14)6-18(20(25)30)27-17(15)5-13/h3-7,9,12,19H,8,10-11H2,1-2H3,(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))
BDBM213008
PNG
(US9278960, 4-92 | US9663506, Example 4-92)
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+/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))
BDBM213010
PNG
(US9278960, 4-94 | US9663506, Example 4-94)
Show SMILES CN1CCN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC1C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O/c1-30-8-9-31(13-21(30)23(25,26)27)12-14-2-7-17-18(15-3-5-16(24)6-4-15)11-20(22(28)32)29-19(17)10-14/h2-7,10-11,21H,8-9,12-13H2,1H3,(H2,28,32)
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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))
BDBM213032
PNG
(US9278960, 4-116 | US9663506, Example 4-116)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnc(CF)s2)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C21H20F4N4O2S/c1-11-8-29(10-18(31-11)21(23,24)25)9-12-2-3-13-14(17-7-27-19(6-22)32-17)5-16(20(26)30)28-15(13)4-12/h2-5,7,11,18H,6,8-10H2,1H3,(H2,26,30)/t11-,18-/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))
BDBM213036
PNG
(US9278960, 4-120 | US9663506, Example 4-120)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCCC4(CC4)C3)ccc12)C(N)=O
Show InChI InChI=1S/C22H25N5O/c1-26-13-16(11-24-26)18-10-20(21(23)28)25-19-9-15(3-4-17(18)19)12-27-8-2-5-22(14-27)6-7-22/h3-4,9-11,13H,2,5-8,12,14H2,1H3,(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))
BDBM213038
PNG
(US9278960, 4-122 | US9663506, Example 4-122)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCC[C@H](O)C3)ccc12)C(N)=O
Show InChI InChI=1S/C20H23N5O2/c1-24-11-14(9-22-24)17-8-19(20(21)27)23-18-7-13(4-5-16(17)18)10-25-6-2-3-15(26)12-25/h4-5,7-9,11,15,26H,2-3,6,10,12H2,1H3,(H2,21,27)/t15-/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))
BDBM213046
PNG
(US9278960, 4-130 | US9636337, 4-130)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCC4(CC4)CC3)ccc12)C(N)=O
Show InChI InChI=1S/C22H25N5O/c1-26-14-16(12-24-26)18-11-20(21(23)28)25-19-10-15(2-3-17(18)19)13-27-8-6-22(4-5-22)7-9-27/h2-3,10-12,14H,4-9,13H2,1H3,(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))
BDBM213051
PNG
(US9278960, 4-135 | US9663506, Example 4-135)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cn(C)nc2C)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C22H24F3N5O2/c1-12-8-30(11-20(32-12)22(23,24)25)9-14-4-5-15-16(17-10-29(3)28-13(17)2)7-19(21(26)31)27-18(15)6-14/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,26,31)/t12-,20-/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))
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))
BDBM213099
PNG
(US9278960, 7-37 | US9636337, 7-37)
Show SMILES Cn1cc(cn1)-c1cc(nc2c(F)c(Cc3ccc(nc3)C3CC3)ccc12)C(N)=O
Show InChI InChI=1S/C23H20FN5O/c1-29-12-16(11-27-29)18-9-20(23(25)30)28-22-17(18)6-5-15(21(22)24)8-13-2-7-19(26-10-13)14-3-4-14/h2,5-7,9-12,14H,3-4,8H2,1H3,(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))
BDBM213105
PNG
(US9278960, 8-12 | US9636337, 8-12)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CCc3ccccn3)cc2n1
Show InChI InChI=1S/C23H18FN3O/c24-17-8-6-16(7-9-17)20-14-22(23(25)28)27-21-13-15(5-11-19(20)21)4-10-18-3-1-2-12-26-18/h1-3,5-9,11-14H,4,10H2,(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))
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))
BDBM213118
PNG
(US9278960, 8-25 | US9278960, 8-26 | US9636337, 8-2...)
Show SMILES CC(Cc1ccc(C)nc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C25H22FN3O/c1-15(11-17-4-3-16(2)28-14-17)19-7-10-21-22(18-5-8-20(26)9-6-18)13-24(25(27)30)29-23(21)12-19/h3-10,12-15H,11H2,1-2H3,(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))
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))
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))
BDBM213135
PNG
(US9278960, 8-42 | US9278960, 8-43 | US9636337, 8-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1ccc(C)nc1)C(N)=O
Show InChI InChI=1S/C26H25N3O2/c1-16(12-18-5-4-17(2)28-15-18)20-8-11-22-23(19-6-9-21(31-3)10-7-19)14-25(26(27)30)29-24(22)13-20/h4-11,13-16H,12H2,1-3H3,(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))
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))
BDBM213139
PNG
(US9278960, 8-46 | US9278960, 8-47 | US9636337, 8-4...)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(ccc12)C(C)Cc1ccc(CF)nc1)C(N)=O
Show InChI InChI=1S/C26H24FN3O2/c1-16(11-17-3-7-20(14-27)29-15-17)19-6-10-22-23(18-4-8-21(32-2)9-5-18)13-25(26(28)31)30-24(22)12-19/h3-10,12-13,15-16H,11,14H2,1-2H3,(H2,28,31)
PDB

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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))
BDBM213143
PNG
(US9278960, 8-50 | US9636337, 8-50)
Show SMILES COc1ccc(cc1F)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
Show InChI InChI=1S/C24H21FN4O2/c1-14-27-12-16(13-28-14)4-3-15-5-7-18-19(11-22(24(26)30)29-21(18)9-15)17-6-8-23(31-2)20(25)10-17/h5-13H,3-4H2,1-2H3,(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))
BDBM213144
PNG
(US9278960, 8-51 | US9636337, 8-51)
Show SMILES COc1cc(F)c(c(F)c1)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
Show InChI InChI=1S/C24H20F2N4O2/c1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)23-19(25)8-16(32-2)9-20(23)26/h5-12H,3-4H2,1-2H3,(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))
BDBM213147
PNG
(US9278960, 8-54 | US9636337, 8-54)
Show SMILES COc1c(F)cc(cc1F)-c1cc(nc2cc(CCc3cnc(C)nc3)ccc12)C(N)=O
Show InChI InChI=1S/C24H20F2N4O2/c1-13-28-11-15(12-29-13)4-3-14-5-6-17-18(10-22(24(27)31)30-21(17)7-14)16-8-19(25)23(32-2)20(26)9-16/h5-12H,3-4H2,1-2H3,(H2,27,31)
PDB

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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))
BDBM212842
PNG
(US9278960, 1-13 | US9663506, Example 1-13)
Show SMILES Cc1cscc1-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C15H12N2OS/c1-9-7-19-8-12(9)11-6-14(15(16)18)17-13-5-3-2-4-10(11)13/h2-8H,1H3,(H2,16,18)
PDB

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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)
PDB

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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))
BDBM212846
PNG
(US9278960, 1-17 | US9663506, Example 1-17)
Show SMILES Cc1cc(Cl)ccc1-c1cc(nc2ccccc12)C(N)=O
Show InChI InChI=1S/C17H13ClN2O/c1-10-8-11(18)6-7-12(10)14-9-16(17(19)21)20-15-5-3-2-4-13(14)15/h2-9H,1H3,(H2,19,21)
PDB

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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))
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)
PDB

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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))
BDBM212858
PNG
(US9278960, 1-29 | US9663506, Example 1-29)
Show SMILES Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(cc1)C#N
Show InChI InChI=1S/C18H13N3O/c1-11-2-7-14-15(13-5-3-12(10-19)4-6-13)9-17(18(20)22)21-16(14)8-11/h2-9H,1H3,(H2,20,22)
PDB

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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))
BDBM212864
PNG
(US9278960, 2-11 | US9663506, Example 2-11)
Show SMILES CC1(C)OC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C22H18FN3O4/c1-22(2)20(28)26(21(29)30-22)11-12-3-8-15-16(13-4-6-14(23)7-5-13)10-18(19(24)27)25-17(15)9-12/h3-10H,11H2,1-2H3,(H2,24,27)
PDB

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n/an/a 25n/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
Metabotropic glutamate receptor 2


(Homo sapiens (Human))
BDBM212873
PNG
(US9278960, 2-20 | US9663506, Example 2-20)
Show SMILES CC1(C)CC(=O)N(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)C1=O
Show InChI InChI=1S/C23H20FN3O3/c1-23(2)11-20(28)27(22(23)30)12-13-3-8-16-17(14-4-6-15(24)7-5-14)10-19(21(25)29)26-18(16)9-13/h3-10H,11-12H2,1-2H3,(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))
BDBM212877
PNG
(US9278960, 2-24 | US9663506, Example 2-24)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2Cl)c2ccc(CN3C(=O)CCC3=O)cc2n1
Show InChI InChI=1S/C21H15ClFN3O3/c22-16-8-12(23)2-4-13(16)15-9-18(21(24)29)25-17-7-11(1-3-14(15)17)10-26-19(27)5-6-20(26)28/h1-4,7-9H,5-6,10H2,(H2,24,29)
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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))
BDBM212891
PNG
(US9278960, 2-38 | US9663506, Example 2-38)
Show SMILES COc1ccc(cc1)-c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
Show InChI InChI=1S/C22H19N3O4/c1-29-15-5-3-14(4-6-15)17-11-19(22(23)28)24-18-10-13(2-7-16(17)18)12-25-20(26)8-9-21(25)27/h2-7,10-11H,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))
BDBM212899
PNG
(US9278960, 3-18 | US9663506, Example 3-18)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccccc2F)nn1)C(F)(F)F
Show InChI InChI=1S/C23H19F4N5O2/c1-2-22(34,23(25,26)27)20-12-32(31-30-20)11-13-7-8-15-16(14-5-3-4-6-17(14)24)10-19(21(28)33)29-18(15)9-13/h3-10,12,34H,2,11H2,1H3,(H2,28,33)/t22-/m0/s1
PDB

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n/an/a 36n/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%