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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))
BDBM213011
PNG
(US9278960, 4-95 | US9663506, Example 4-95)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3C[C@@H](OC(C)(C)C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C22H24F3N5O2/c1-21(2)12-30(11-19(32-21)22(23,24)25)9-13-4-5-15-16(14-8-27-29(3)10-14)7-18(20(26)31)28-17(15)6-13/h4-8,10,19H,9,11-12H2,1-3H3,(H2,26,31)/t19-/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))
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))
BDBM325828
PNG
(4-(4-Fluorophenyl)-7-(((2S)-2-methyl-5(R)-(trifluo...)
Show SMILES C[C@H]1CN[C@H](CN1Cc1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O/c1-13-10-29-21(23(25,26)27)12-31(13)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(H2,28,32)/t13-,21+/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))
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))
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))
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))
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))
BDBM213079
PNG
(US9278960, 6-26 | US9663506, Example 6-26)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(Cc3cc(nc(c3)C(F)(F)F)C3CC3)ccc12)C(N)=O
Show InChI InChI=1S/C24H20F3N5O/c1-32-12-16(11-29-32)18-10-21(23(28)33)30-20-7-13(2-5-17(18)20)6-14-8-19(15-3-4-15)31-22(9-14)24(25,26)27/h2,5,7-12,15H,3-4,6H2,1H3,(H2,28,33)
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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))
BDBM212936
PNG
(US9278960, 4-16 | US9663506, Example 4-16)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCSC(C3)C3CC3)ccc12)C(N)=O
Show InChI InChI=1S/C22H25N5OS/c1-26-12-16(10-24-26)18-9-20(22(23)28)25-19-8-14(2-5-17(18)19)11-27-6-7-29-21(13-27)15-3-4-15/h2,5,8-10,12,15,21H,3-4,6-7,11,13H2,1H3,(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))
BDBM213098
PNG
(US9278960, 7-36 | US9636337, 7-36)
Show SMILES Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCCC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C21H21F4N5O/c1-29-9-13(8-27-29)16-7-17(20(26)31)28-19-15(16)5-4-12(18(19)22)10-30-6-2-3-14(11-30)21(23,24)25/h4-5,7-9,14H,2-3,6,10-11H2,1H3,(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))
BDBM213042
PNG
(US9278960, 4-126 | US9663506, Example 4-126)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cc(C)ns2)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C21H21F3N4O2S/c1-11-5-18(31-27-11)15-7-17(20(25)29)26-16-6-13(3-4-14(15)16)9-28-8-12(2)30-19(10-28)21(22,23)24/h3-7,12,19H,8-10H2,1-2H3,(H2,25,29)/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))
BDBM213059
PNG
(US9278960, 6-6 | US9663506, Example 6-6)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(nc3)C#N)cc2n1
Show InChI InChI=1S/C23H15FN4O/c24-17-5-3-16(4-6-17)20-11-22(23(26)29)28-21-10-14(2-8-19(20)21)9-15-1-7-18(12-25)27-13-15/h1-8,10-11,13H,9H2,(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))
BDBM325971
PNG
(7-[(2,5-dioxopyrrolidin-1-yl)methyl]-8-fluoro-4-(4...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3C(=O)CCC3=O)c(F)c2n1
Show InChI InChI=1S/C21H15F2N3O3/c22-13-4-1-11(2-5-13)15-9-16(21(24)29)25-20-14(15)6-3-12(19(20)23)10-26-17(27)7-8-18(26)28/h1-6,9H,7-8,10H2,(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))
BDBM213034
PNG
(US9278960, 4-118 | US9663506, Example 4-118)
Show SMILES C[C@@H]1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2cnn(c2)C(F)F)C[C@@H](O1)C(F)(F)F
Show InChI InChI=1S/C21H20F5N5O2/c1-11-7-30(10-18(33-11)21(24,25)26)8-12-2-3-14-15(13-6-28-31(9-13)20(22)23)5-17(19(27)32)29-16(14)4-12/h2-6,9,11,18,20H,7-8,10H2,1H3,(H2,27,32)/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))
BDBM325994
PNG
(7-[2-(6-cyanopyridin-3-yl)ethyl]-4-(2-fluoro-4-met...)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(CCc3ccc(nc3)C#N)ccc12)C(N)=O
Show InChI InChI=1S/C25H19FN4O2/c1-32-18-7-9-19(22(26)11-18)21-12-24(25(28)31)30-23-10-15(5-8-20(21)23)2-3-16-4-6-17(13-27)29-14-16/h4-12,14H,2-3H2,1H3,(H2,28,31)
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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))
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))
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))
BDBM213097
PNG
(US9278960, 7-35 | US9636337, 7-35)
Show SMILES COc1cc(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2cnn(C)c2)cc(C)n1
Show InChI InChI=1S/C22H20FN5O2/c1-12-6-13(8-19(26-12)30-3)7-14-4-5-16-17(15-10-25-28(2)11-15)9-18(22(24)29)27-21(16)20(14)23/h4-6,8-11H,7H2,1-3H3,(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))
BDBM213131
PNG
(US9278960, 8-38 | US9278960, 8-39 | US9636337, 8-3...)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2cc(ccc12)C(C)Cc1cccnc1N)C(N)=O
Show InChI InChI=1S/C25H23FN4O2/c1-14(10-16-4-3-9-29-24(16)27)15-5-7-19-20(13-23(25(28)31)30-22(19)11-15)18-8-6-17(32-2)12-21(18)26/h3-9,11-14H,10H2,1-2H3,(H2,27,29)(H2,28,31)
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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))
BDBM213003
PNG
(US9278960, 4-87 | US9278960, 4-88 | US9663506, Exa...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C22H20F4N4O/c23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26/h1-6,9-10,20,28H,7-8,11-12H2,(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))
BDBM213003
PNG
(US9278960, 4-87 | US9278960, 4-88 | US9663506, Exa...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(CN3CCNC(C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C22H20F4N4O/c23-15-4-2-14(3-5-15)17-10-19(21(27)31)29-18-9-13(1-6-16(17)18)11-30-8-7-28-20(12-30)22(24,25)26/h1-6,9-10,20,28H,7-8,11-12H2,(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))
BDBM213062
PNG
(US9278960, 6-11 | US9278960, 6-9 | US9663506, Exam...)
Show SMILES COc1ncc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C22H17FN4O2/c1-29-22-25-11-14(12-26-22)8-13-2-7-17-18(15-3-5-16(23)6-4-15)10-20(21(24)28)27-19(17)9-13/h2-7,9-12H,8H2,1H3,(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))
BDBM325972
PNG
((R)-8-Fluoro-4-(1-methyl-1H-pyrazol-4-yl)-7-((2-(t...)
Show SMILES Cn1cc(cn1)-c1cc(nc2c(F)c(CN3CCO[C@H](C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C20H19F4N5O2/c1-28-8-12(7-26-28)14-6-15(19(25)30)27-18-13(14)3-2-11(17(18)21)9-29-4-5-31-16(10-29)20(22,23)24/h2-3,6-8,16H,4-5,9-10H2,1H3,(H2,25,30)/t16-/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))
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))
BDBM213028
PNG
(US9278960, 4-112 | US9278960, 4-113 | US9278960, 4...)
Show SMILES CC1CN(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)CC(N1)C(F)(F)F
Show InChI InChI=1S/C23H22F4N4O/c1-13-10-31(12-21(29-13)23(25,26)27)11-14-2-7-17-18(15-3-5-16(24)6-4-15)9-20(22(28)32)30-19(17)8-14/h2-9,13,21,29H,10-12H2,1H3,(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))
BDBM213073
PNG
(US9278960, 6-20 | US9663506, Example 6-20)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(Cc3ccnc(c3)C#N)ccc12)C(N)=O
Show InChI InChI=1S/C21H16N6O/c1-27-12-15(11-25-27)18-9-20(21(23)28)26-19-8-13(2-3-17(18)19)6-14-4-5-24-16(7-14)10-22/h2-5,7-9,11-12H,6H2,1H3,(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))
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))
BDBM213088
PNG
(US9278960, 7-26 | US9636337, 7-26)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3ccc(CO)nc3)c(F)c2n1
Show InChI InChI=1S/C23H17F2N3O2/c24-16-5-2-14(3-6-16)19-10-20(23(26)30)28-22-18(19)8-4-15(21(22)25)9-13-1-7-17(12-29)27-11-13/h1-8,10-11,29H,9,12H2,(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))
BDBM212996
PNG
(US9278960, 4-80 | US9663506, Example 4-80)
Show SMILES NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCOC(C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C20H19F4N5O2/c21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-2,5-7,9,18H,3-4,8,10-11H2,(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))
BDBM213001
PNG
(US9278960, 4-85 | US9663506, Example 4-85)
Show SMILES NC(=O)c1cc(-c2cnn(CF)c2)c2ccc(CN3CCO[C@@H](C3)C(F)(F)F)cc2n1
Show InChI InChI=1S/C20H19F4N5O2/c21-11-29-9-13(7-26-29)15-6-17(19(25)30)27-16-5-12(1-2-14(15)16)8-28-3-4-31-18(10-28)20(22,23)24/h1-2,5-7,9,18H,3-4,8,10-11H2,(H2,25,30)/t18-/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))
BDBM212925
PNG
(US9278960, 3-44 | US9663506, Example 3-44)
Show SMILES CC[C@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)/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))
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))
BDBM213152
PNG
(US9278960, 8-2 | US9636337, 8-2)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(cc2n1)[C@H](O)Cc1ccc(Cl)nc1
Show InChI InChI=1S/C23H17ClFN3O2/c24-22-8-1-13(12-27-22)9-21(29)15-4-7-17-18(14-2-5-16(25)6-3-14)11-20(23(26)30)28-19(17)10-15/h1-8,10-12,21,29H,9H2,(H2,26,30)/t21-/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))
BDBM212878
PNG
(US9278960, 2-25 | US9663506, Example 2-25)
Show SMILES NC(=O)c1cc(C2=CCCCC2)c2ccc(CN3C(=O)CCC3=O)cc2n1
Show InChI InChI=1S/C21H21N3O3/c22-21(27)18-11-16(14-4-2-1-3-5-14)15-7-6-13(10-17(15)23-18)12-24-19(25)8-9-20(24)26/h4,6-7,10-11H,1-3,5,8-9,12H2,(H2,22,27)
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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))
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))
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))
BDBM212930
PNG
(US9278960, 3-49 | US9663506, Example 3-49)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(OC)c(F)c2)cn1)C(F)(F)F
Show InChI InChI=1S/C25H22F4N4O3/c1-3-24(35,25(27,28)29)22-12-33(13-31-22)11-14-4-6-16-17(10-20(23(30)34)32-19(16)8-14)15-5-7-21(36-2)18(26)9-15/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))
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))
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))
BDBM213086
PNG
(US9278960, 7-24 | US9636337, 7-24)
Show SMILES CCC(O)(c1cn(Cc2ccc3c(cc(nc3c2F)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
Show InChI InChI=1S/C24H19F5N4O2/c1-2-23(35,24(27,28)29)19-11-33(12-31-19)10-14-5-8-16-17(13-3-6-15(25)7-4-13)9-18(22(30)34)32-21(16)20(14)26/h3-9,11-12,35H,2,10H2,1H3,(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))
BDBM212881
PNG
(US9278960, 2-28 | US9663506, Example 2-28)
Show SMILES CC1CCC(CC1)c1cc(nc2cc(CN3C(=O)CCC3=O)ccc12)C(N)=O
Show InChI InChI=1S/C22H25N3O3/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/h4,7,10-11,13,15H,2-3,5-6,8-9,12H2,1H3,(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))
BDBM213067
PNG
(US9278960, 6-14 | US9663506, Example 6-14)
Show SMILES COc1cc(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)ccn1
Show InChI InChI=1S/C23H18FN3O2/c1-29-22-12-15(8-9-26-22)10-14-2-7-18-19(16-3-5-17(24)6-4-16)13-21(23(25)28)27-20(18)11-14/h2-9,11-13H,10H2,1H3,(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))
BDBM213035
PNG
(US9278960, 4-119 | US9663506, Example 4-119)
Show SMILES Cn1cc(cn1)-c1cc(nc2cc(CN3CCSC(C3)C(F)(F)F)ccc12)C(N)=O
Show InChI InChI=1S/C20H20F3N5OS/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)
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))
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))
BDBM212926
PNG
(US9278960, 3-45 | US9663506, Example 3-45)
Show SMILES CC[C@@](O)(c1cn(Cc2ccc3c(cc(nc3c2)C(N)=O)-c2ccc(F)cc2)cn1)C(F)(F)F
Show InChI InChI=1S/C24H20F4N4O2/c1-2-23(34,24(26,27)28)21-12-32(13-30-21)11-14-3-8-17-18(15-4-6-16(25)7-5-15)10-20(22(29)33)31-19(17)9-14/h3-10,12-13,34H,2,11H2,1H3,(H2,29,33)/t23-/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))
BDBM213116
PNG
(US9278960, 8-23 | US9278960, 8-24 | US9636337, 8-2...)
Show SMILES CC(Cc1cccnc1)c1ccc2c(cc(nc2c1)C(N)=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H20FN3O/c1-15(11-16-3-2-10-27-14-16)18-6-9-20-21(17-4-7-19(25)8-5-17)13-23(24(26)29)28-22(20)12-18/h2-10,12-15H,11H2,1H3,(H2,26,29)
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n/an/a 20n/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))
BDBM213087
PNG
(US9278960, 7-25 | US9636337, 7-25)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2ccc(Cc3cnc(nc3)C3CC3)c(F)c2n1
Show InChI InChI=1S/C24H18F2N4O/c25-17-6-3-14(4-7-17)19-10-20(23(27)31)30-22-18(19)8-5-16(21(22)26)9-13-11-28-24(29-12-13)15-1-2-15/h3-8,10-12,15H,1-2,9H2,(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))
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
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