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USPatent US10072003

Compile data set for download or QSAR
Found 130 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))		BDBM277097
PNG
((S) or (R)-4-(2,4- difluorophenyl)-8- methyl-7-{[1...)
Show SMILES CC(C)n1nccc1CN1CCc2c(nc(cc2-c2ccc(F)cc2F)C(N)=O)C1C
Show InChI InChI=1S/C23H25F2N5O/c1-13(2)30-16(6-8-27-30)12-29-9-7-18-19(17-5-4-15(24)10-20(17)25)11-21(23(26)31)28-22(18)14(29)3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H2,26,31)
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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277085
PNG
(US10072003, Example 1-5A | US10072003, Example 1-5...)
Show SMILES CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27ClFN3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277201
PNG
(4-(2-chloro-4-fluorophenyl)-7- [(2-methoxypyridin-...)
Show SMILES COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2Cl)C(N)=O)ccn1
Show InChI InChI=1S/C22H20ClFN4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(24)9-18(15)23)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277130
PNG
(4-(2,4-difluorophenyl)-7-{[6- (trifluoromethyl)pyr...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H16F5N5O/c22-11-1-2-13(16(23)5-11)15-7-17(20(27)32)30-18-9-31(4-3-14(15)18)8-12-6-19(21(24,25)26)29-10-28-12/h1-2,5-7,10H,3-4,8-9H2,(H2,27,32)
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Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277097
PNG
((S) or (R)-4-(2,4- difluorophenyl)-8- methyl-7-{[1...)
Show SMILES CC(C)n1nccc1CN1CCc2c(nc(cc2-c2ccc(F)cc2F)C(N)=O)C1C
Show InChI InChI=1S/C23H25F2N5O/c1-13(2)30-16(6-8-27-30)12-29-9-7-18-19(17-5-4-15(24)10-20(17)25)11-21(23(26)31)28-22(18)14(29)3/h4-6,8,10-11,13-14H,7,9,12H2,1-3H3,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277189
PNG
(4-(4-chloro-2,6-difluorophenyl)-7-{[2- (trifluorom...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
Show InChI InChI=1S/C21H15ClF5N5O/c22-10-5-14(23)18(15(24)6-10)13-7-16(19(28)33)31-17-9-32(4-2-12(13)17)8-11-1-3-29-20(30-11)21(25,26)27/h1,3,5-7H,2,4,8-9H2,(H2,28,33)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277199
PNG
(4-(2-fluoro-4-methoxyphenyl)-7- [(2-methoxypyridin...)
Show SMILES COc1ccc(c(F)c1)-c1cc(nc2CN(Cc3ccnc(OC)c3)CCc12)C(N)=O
Show InChI InChI=1S/C23H23FN4O3/c1-30-15-3-4-16(19(24)10-15)18-11-20(23(25)29)27-21-13-28(8-6-17(18)21)12-14-5-7-26-22(9-14)31-2/h3-5,7,9-11H,6,8,12-13H2,1-2H3,(H2,25,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277183
PNG
(4-(4-chloro-2-fluorophenyl)-7-{[2- (trifluoromethy...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C21H16ClF4N5O/c22-11-1-2-13(16(23)7-11)15-8-17(19(27)32)30-18-10-31(6-4-14(15)18)9-12-3-5-28-20(29-12)21(24,25)26/h1-3,5,7-8H,4,6,9-10H2,(H2,27,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277178
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(2- methoxypyrimidi...)
Show SMILES COc1ncc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
Show InChI InChI=1S/C21H19ClFN5O2/c1-30-21-25-8-12(9-26-21)10-28-5-4-15-16(14-3-2-13(22)6-17(14)23)7-18(20(24)29)27-19(15)11-28/h2-3,6-9H,4-5,10-11H2,1H3,(H2,24,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277100
PNG
(7-[(1-tert-butyl-1H-1,2,3- triazol-5-yl)methyl]-4-...)
Show SMILES CC(C)(C)n1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(Cl)cc1F)C(N)=O |(-1.57,.85,;-3.06,.45,;-3.46,-1.04,;-1.97,-.64,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;3.85,-1.54,;5.19,-.77,;3.85,-3.08,;2.52,-3.85,;2.52,-5.39,;1.18,-3.08,;1.18,-1.54,;-.15,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
Show InChI InChI=1S/C22H23ClF2N6O/c1-22(2,3)31-13(9-27-29-31)10-30-5-4-14-15(8-18(21(26)32)28-19(14)11-30)20-16(24)6-12(23)7-17(20)25/h6-9H,4-5,10-11H2,1-3H3,(H2,26,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277085
PNG
(US10072003, Example 1-5A | US10072003, Example 1-5...)
Show SMILES CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27ClFN3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277190
PNG
(4-(4-fluorophenyl)-7-{[6- (trifluoromethyl)pyrimid...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C21H17F4N5O/c22-13-3-1-12(2-4-13)16-8-17(20(26)31)29-18-10-30(6-5-15(16)18)9-14-7-19(21(23,24)25)28-11-27-14/h1-4,7-8,11H,5-6,9-10H2,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277114
PNG
(4-(2,4-difluorophenyl)-7-[(4-methyl-1,2,5- oxadiaz...)
Show SMILES Cc1nonc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C19H17F2N5O2/c1-10-17(25-28-24-10)8-26-5-4-13-14(12-3-2-11(20)6-15(12)21)7-16(19(22)27)23-18(13)9-26/h2-3,6-7H,4-5,8-9H2,1H3,(H2,22,27)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277198
PNG
(US10072003, Example 13-1)
Show SMILES COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)ccn1
Show InChI InChI=1S/C22H20F2N4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(23)9-18(15)24)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277175
PNG
(4-(4-chloro-2-fluorophenyl)-7-{[3-(1- methylethyl)...)
Show SMILES CC(C)c1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
Show InChI InChI=1S/C21H21ClFN5O2/c1-11(2)21-26-19(30-27-21)10-28-6-5-14-15(13-4-3-12(22)7-16(13)23)8-17(20(24)29)25-18(14)9-28/h3-4,7-8,11H,5-6,9-10H2,1-2H3,(H2,24,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277090
PNG
(4-(2,4-difluorophenyl)-7- {[1-(1-methylethyl)-1H- ...)
Show SMILES CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C22H23F2N5O/c1-13(2)29-15(5-7-26-29)11-28-8-6-17-18(16-4-3-14(23)9-19(16)24)10-20(22(25)30)27-21(17)12-28/h3-5,7,9-10,13H,6,8,11-12H2,1-2H3,(H2,25,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277119
PNG
(7-{[2-(difluoromethoxy)pyridin-4- yl]methyl}-4-[1-...)
Show SMILES NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
Show InChI InChI=1S/C20H18F4N6O2/c21-19(22)30-9-12(7-27-30)14-6-15(18(25)31)28-16-10-29(4-2-13(14)16)8-11-1-3-26-17(5-11)32-20(23)24/h1,3,5-7,9,19-20H,2,4,8,10H2,(H2,25,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277089
PNG
(4-(4-chloro-2- fluorophenyl)-7-[(1- methyl-1H-pyra...)
Show SMILES Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Show InChI InChI=1S/C20H19ClFN5O/c1-26-13(4-6-24-26)10-27-7-5-15-16(14-3-2-12(21)8-17(14)22)9-18(20(23)28)25-19(15)11-27/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,23,28)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277104
PNG
((S) or (R)-4-(4-chloro-2- fluorophenyl)-7-[(6,6- d...)
Show SMILES CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)CO1
Show InChI InChI=1S/C23H27ClFN3O2/c1-23(2)7-5-14(13-30-23)11-28-8-6-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)12-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277137
PNG
(US10072003, Example 3-2A | US10072003, Example 3-2...)
Show SMILES COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2-c1cnn(C)c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-29-10-13(9-27-29)15-8-16(20(25)31)28-17-11-30(6-4-14(15)17)19(21(22,23)24)12-3-5-26-18(7-12)32-2/h3,5,7-10,19H,4,6,11H2,1-2H3,(H2,25,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277171
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(5-methyl- 1,2,4-ox...)
Show SMILES Cc1nc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)no1
Show InChI InChI=1S/C19H17ClFN5O2/c1-10-23-18(25-28-10)9-26-5-4-13-14(12-3-2-11(20)6-15(12)21)7-16(19(22)27)24-17(13)8-26/h2-3,6-7H,4-5,8-9H2,1H3,(H2,22,27)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277166
PNG
(US10072003, Example 8-2A | US10072003, Example 8-2...)
Show SMILES NC(=O)c1cc(c2CCN(Cc2n1)C(CO)c1ccccc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)22(13-29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277094
PNG
(4-(2-fluoro-4- methylphenyl)-7-{[1-(1- methylethyl...)
Show SMILES CC(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(C)cc1F)C(N)=O
Show InChI InChI=1S/C23H26FN5O/c1-14(2)29-16(6-8-26-29)12-28-9-7-18-19(17-5-4-15(3)10-20(17)24)11-21(23(25)30)27-22(18)13-28/h4-6,8,10-11,14H,7,9,12-13H2,1-3H3,(H2,25,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277192
PNG
(4-(4-chloro-2-fluorophenyl)-7-{[6- (trifluoromethy...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C21H16ClF4N5O/c22-11-1-2-13(16(23)5-11)15-7-17(20(27)32)30-18-9-31(4-3-14(15)18)8-12-6-19(21(24,25)26)29-10-28-12/h1-2,5-7,10H,3-4,8-9H2,(H2,27,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277118
PNG
(4-(2-chloro-4-fluorophenyl)-7-{[2- (difluoromethox...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C22H18ClF3N4O2/c23-17-8-13(24)1-2-14(17)16-9-18(21(27)31)29-19-11-30(6-4-15(16)19)10-12-3-5-28-20(7-12)32-22(25)26/h1-3,5,7-9,22H,4,6,10-11H2,(H2,27,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277116
PNG
(7-[(2-cyclopropylpyridin-4-yl)methyl]-4-[1- (diflu...)
Show SMILES NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
Show InChI InChI=1S/C22H22F2N6O/c23-22(24)30-11-15(9-27-30)17-8-19(21(25)31)28-20-12-29(6-4-16(17)20)10-13-3-5-26-18(7-13)14-1-2-14/h3,5,7-9,11,14,22H,1-2,4,6,10,12H2,(H2,25,31)
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n/an/a 1.08E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277127
PNG
(4-(4-chloro-2,6-difluorophenyl)-7-{[1- (difluorome...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnn3C(F)F)Cc2n1)-c1c(F)cc(Cl)cc1F |(6.52,3.08,;5.19,3.85,;5.19,5.39,;3.85,3.08,;3.85,1.54,;2.52,.77,;1.18,1.54,;-.15,.77,;-1.48,1.54,;-1.48,3.08,;-2.82,3.85,;-4.15,3.08,;-5.61,3.56,;-6.52,2.31,;-5.61,1.06,;-4.15,1.54,;-3.06,.45,;-3.46,-1.04,;-1.57,.85,;-.15,3.85,;1.18,3.08,;2.52,3.85,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,)|
Show InChI InChI=1S/C20H16ClF4N5O/c21-10-5-14(22)18(15(23)6-10)13-7-16(19(26)31)28-17-9-29(4-2-12(13)17)8-11-1-3-27-30(11)20(24)25/h1,3,5-7,20H,2,4,8-9H2,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277137
PNG
(US10072003, Example 3-2A | US10072003, Example 3-2...)
Show SMILES COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2-c1cnn(C)c1)C(N)=O)C(F)(F)F
Show InChI InChI=1S/C21H21F3N6O2/c1-29-10-13(9-27-29)15-8-16(20(25)31)28-17-11-30(6-4-14(15)17)19(21(22,23)24)12-3-5-26-18(7-12)32-2/h3,5,7-10,19H,4,6,11H2,1-2H3,(H2,25,31)
PDB

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n/an/a 1.14E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277166
PNG
(US10072003, Example 8-2A | US10072003, Example 8-2...)
Show SMILES NC(=O)c1cc(c2CCN(Cc2n1)C(CO)c1ccccc1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)22(13-29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
PDB

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n/an/a 1.15E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277176
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(4- methoxypyrimidi...)
Show SMILES COc1ccnc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
Show InChI InChI=1S/C21H19ClFN5O2/c1-30-20-4-6-25-19(27-20)11-28-7-5-14-15(13-3-2-12(22)8-16(13)23)9-17(21(24)29)26-18(14)10-28/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,24,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277155
PNG
(US10072003, Example 6-1)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C21H17ClF3N5O/c22-13-1-2-16(28-9-13)15-8-17(20(26)31)29-18-11-30(6-4-14(15)18)10-12-3-5-27-19(7-12)21(23,24)25/h1-3,5,7-9H,4,6,10-11H2,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277188
PNG
(4-(2-fluorophenyl)-7-{[2- (trifluoromethyl)pyrimid...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1F
Show InChI InChI=1S/C21H17F4N5O/c22-16-4-2-1-3-13(16)15-9-17(19(26)31)29-18-11-30(8-6-14(15)18)10-12-5-7-27-20(28-12)21(23,24)25/h1-5,7,9H,6,8,10-11H2,(H2,26,31)
PDB

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n/an/a 1.18E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277179
PNG
(4-(4-chloro-2-fluorophenyl)-7-(pyridin-3- ylmethyl...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3cccnc3)Cc2n1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C21H18ClFN4O/c22-14-3-4-15(18(23)8-14)17-9-19(21(24)28)26-20-12-27(7-5-16(17)20)11-13-2-1-6-25-10-13/h1-4,6,8-10H,5,7,11-12H2,(H2,24,28)
PDB

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n/an/a 1.20E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277101
PNG
((S) or (R)-4-(4-chloro-2- fluorophenyl)-7-(((S) or...)
Show SMILES CC1N(CC2CCOC(C)(C)C2)CCc2c1nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C24H29F2N3O2/c1-14-22-18(6-8-29(14)13-15-7-9-31-24(2,3)12-15)19(11-21(28-22)23(27)30)17-5-4-16(25)10-20(17)26/h4-5,10-11,14-15H,6-9,12-13H2,1-3H3,(H2,27,30)
PDB

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n/an/a 1.23E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277164
PNG
(US10072003, Example 8-1A | US10072003, Example 8-1...)
Show SMILES NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)13-22(29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
PDB

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n/an/a 1.27E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277164
PNG
(US10072003, Example 8-1A | US10072003, Example 8-1...)
Show SMILES NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)13-22(29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
PDB

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n/an/a 1.27E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277174
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(3-methyl- 1,2,4-ox...)
Show SMILES Cc1noc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
Show InChI InChI=1S/C19H17ClFN5O2/c1-10-23-18(28-25-10)9-26-5-4-13-14(12-3-2-11(20)6-15(12)21)7-16(19(22)27)24-17(13)8-26/h2-3,6-7H,4-5,8-9H2,1H3,(H2,22,27)
PDB

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n/an/a 1.27E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277147
PNG
((S) or (R)-4-(3- methylpiperidin-1-yl)-7- ((2- (tr...)
Show SMILES CC1CCCN(C1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C22H26F3N5O/c1-14-3-2-7-30(11-14)19-10-17(21(26)31)28-18-13-29(8-5-16(18)19)12-15-4-6-27-20(9-15)22(23,24)25/h4,6,9-10,14H,2-3,5,7-8,11-13H2,1H3,(H2,26,31)
PDB

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n/an/a 1.29E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277194
PNG
(4-(6-azaspiro[2.5]oct-6-yl)-7-{[2- (trifluoromethy...)
Show SMILES NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)20-27-7-1-14(28-20)12-30-8-2-15-17(13-30)29-16(19(26)32)11-18(15)31-9-5-21(3-4-21)6-10-31/h1,7,11H,2-6,8-10,12-13H2,(H2,26,32)
PDB

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n/an/a 1.31E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277133
PNG
(4-(2,4-difluorophenyl)-7-[(4- methylisoxazol-3-yl)...)
Show SMILES Cc1conc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C20H18F2N4O2/c1-11-10-28-25-18(11)8-26-5-4-14-15(13-3-2-12(21)6-16(13)22)7-17(20(23)27)24-19(14)9-26/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,23,27)
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n/an/a 1.31E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277102
PNG
((S) or (R)-8-methyl-7- {[1-(1-methylethyl)-1H- pyr...)
Show SMILES CC(C)n1nccc1CN1CCc2c(cc(nc2C1C)C(N)=O)N1CCCCC1
Show InChI InChI=1S/C22H32N6O/c1-15(2)28-17(7-9-24-28)14-27-12-8-18-20(26-10-5-4-6-11-26)13-19(22(23)29)25-21(18)16(27)3/h7,9,13,15-16H,4-6,8,10-12,14H2,1-3H3,(H2,23,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277186
PNG
(7-{[2-(trifluoromethyl)pyrimidin-4- yl]methyl}-4-(...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(-8,-3.08,;-6.67,-3.85,;-6.67,-5.39,;-5.33,-3.08,;-5.33,-1.54,;-4,-.77,;-2.67,-1.54,;-1.33,-.77,;,-1.54,;,-3.08,;1.33,-3.85,;2.67,-3.08,;2.67,-1.54,;4,-.77,;5.33,-1.54,;5.33,-3.08,;4,-3.85,;6.67,-3.85,;8,-3.08,;6.67,-5.39,;8,-4.62,;-1.33,-3.85,;-2.67,-3.08,;-4,-3.85,;-4,.77,;-5.33,1.54,;-6.67,.77,;-5.33,3.08,;-4,3.85,;-4,5.39,;-2.67,3.08,;-2.67,1.54,;-1.33,.77,)|
Show InChI InChI=1S/C21H15F6N5O/c22-10-5-14(23)18(15(24)6-10)13-7-16(19(28)33)31-17-9-32(4-2-12(13)17)8-11-1-3-29-20(30-11)21(25,26)27/h1,3,5-7H,2,4,8-9H2,(H2,28,33)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277088
PNG
(4-(2,4-difluorophenyl)-7- [(1,3-dimethyl-1H- pyraz...)
Show SMILES Cc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)n(C)n1
Show InChI InChI=1S/C21H21F2N5O/c1-12-7-14(27(2)26-12)10-28-6-5-16-17(15-4-3-13(22)8-18(15)23)9-19(21(24)29)25-20(16)11-28/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,29)
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n/an/a 1.38E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277099
PNG
(4-(4-chloro-2- fluorophenyl)-7-[(1- methyl-1H-imid...)
Show SMILES Cn1cncc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Show InChI InChI=1S/C20H19ClFN5O/c1-26-11-24-8-13(26)9-27-5-4-15-16(14-3-2-12(21)6-17(14)22)7-18(20(23)28)25-19(15)10-27/h2-3,6-8,11H,4-5,9-10H2,1H3,(H2,23,28)
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n/an/a 1.41E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277172
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(2- methoxypyrimidi...)
Show SMILES COc1nccc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)n1
Show InChI InChI=1S/C21H19ClFN5O2/c1-30-21-25-6-4-13(26-21)10-28-7-5-15-16(14-3-2-12(22)8-17(14)23)9-18(20(24)29)27-19(15)11-28/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,24,29)
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n/an/a 1.42E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277087
PNG
(4-(2,4-difluorophenyl)-7- [(1-methyl-1H-pyrazol-5-...)
Show SMILES Cn1nccc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C20H19F2N5O/c1-26-13(4-6-24-26)10-27-7-5-15-16(14-3-2-12(21)8-17(14)22)9-18(20(23)28)25-19(15)11-27/h2-4,6,8-9H,5,7,10-11H2,1H3,(H2,23,28)
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n/an/a 1.45E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277180
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(1-methyl- 1H-pyraz...)
Show SMILES Cn1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)cn1
Show InChI InChI=1S/C20H19ClFN5O/c1-26-9-12(8-24-26)10-27-5-4-15-16(14-3-2-13(21)6-17(14)22)7-18(20(23)28)25-19(15)11-27/h2-3,6-9H,4-5,10-11H2,1H3,(H2,23,28)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277106
PNG
(US10072003, Example 1-23A | US10072003, Example 1-...)
Show SMILES CC1(C)CC(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CCO1
Show InChI InChI=1S/C25H31F2N3O2/c1-24(2)13-15(8-10-32-24)14-30-9-7-18-19(17-6-5-16(26)11-20(17)27)12-21(23(28)31)29-22(18)25(30,3)4/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H2,28,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277200
PNG
(4-(4-chloro-2-fluorophenyl)-7- [(2-methoxypyridin-...)
Show SMILES COc1cc(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)ccn1
Show InChI InChI=1S/C22H20ClFN4O2/c1-30-21-8-13(4-6-26-21)11-28-7-5-16-17(15-3-2-14(23)9-18(15)24)10-19(22(25)29)27-20(16)12-28/h2-4,6,8-10H,5,7,11-12H2,1H3,(H2,25,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277149
PNG
((S) or (R)-4-(3- fluoropiperidin-1-yl)-7-((2- (tri...)
Show SMILES NC(=O)c1cc(N2CCCC(F)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C21H23F4N5O/c22-14-2-1-6-30(11-14)18-9-16(20(26)31)28-17-12-29(7-4-15(17)18)10-13-3-5-27-19(8-13)21(23,24)25/h3,5,8-9,14H,1-2,4,6-7,10-12H2,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277202
PNG
(US10072003, Example 14-1A | US10072003, Example 14...)
Show SMILES CC1(C)CC(F)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
Show InChI InChI=1S/C22H24F3N3O2/c1-21(2)10-22(25,12-30-21)11-28-6-5-15-16(14-4-3-13(23)7-17(14)24)8-18(20(26)29)27-19(15)9-28/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277185
PNG
(4-(2-chloro-4-fluorophenyl)-7-{[2- (trifluoromethy...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccc(F)cc1Cl
Show InChI InChI=1S/C21H16ClF4N5O/c22-16-7-11(23)1-2-13(16)15-8-17(19(27)32)30-18-10-31(6-4-14(15)18)9-12-3-5-28-20(29-12)21(24,25)26/h1-3,5,7-8H,4,6,9-10H2,(H2,27,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277202
PNG
(US10072003, Example 14-1A | US10072003, Example 14...)
Show SMILES CC1(C)CC(F)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
Show InChI InChI=1S/C22H24F3N3O2/c1-21(2)10-22(25,12-30-21)11-28-6-5-15-16(14-4-3-13(23)7-17(14)24)8-18(20(26)29)27-19(15)9-28/h3-4,7-8H,5-6,9-12H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277131
PNG
(4-(3-cyclopropylisothiazol-5-yl)-7-[(2- cyclopropy...)
Show SMILES NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(c3)C3CC3)Cc2n1
Show InChI InChI=1S/C24H25N5OS/c25-24(30)21-10-18(23-11-20(28-31-23)16-3-4-16)17-6-8-29(13-22(17)27-21)12-14-5-7-26-19(9-14)15-1-2-15/h5,7,9-11,15-16H,1-4,6,8,12-13H2,(H2,25,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277147
PNG
((S) or (R)-4-(3- methylpiperidin-1-yl)-7- ((2- (tr...)
Show SMILES CC1CCCN(C1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C22H26F3N5O/c1-14-3-2-7-30(11-14)19-10-17(21(26)31)28-18-13-29(8-5-16(18)19)12-15-4-6-27-20(9-15)22(23,24)25/h4,6,9-10,14H,2-3,5,7-8,11-13H2,1H3,(H2,26,31)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277164
PNG
(US10072003, Example 8-1A | US10072003, Example 8-1...)
Show SMILES NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)13-22(29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277164
PNG
(US10072003, Example 8-1A | US10072003, Example 8-1...)
Show SMILES NC(=O)c1cc(c2CCN(CC(O)c3ccccc3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N3O2/c24-15-6-7-16(19(25)10-15)18-11-20(23(26)30)27-21-12-28(9-8-17(18)21)13-22(29)14-4-2-1-3-5-14/h1-7,10-11,22,29H,8-9,12-13H2,(H2,26,30)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277157
PNG
(7-{[2-(difluoromethoxy)pyridin- 4-yl]methyl}-4-(2-...)
Show SMILES Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
Show InChI InChI=1S/C20H19F2N5O2S/c1-11-25-8-17(30-11)14-7-15(19(23)28)26-16-10-27(5-3-13(14)16)9-12-2-4-24-18(6-12)29-20(21)22/h2,4,6-8,20H,3,5,9-10H2,1H3,(H2,23,28)
PDB

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n/an/a 1.86E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277129
PNG
(4-(5-chloropyridin-2-yl)-7-{[1- (difluoromethyl)-1...)
Show SMILES NC(=O)c1cc(-c2ccc(Cl)cn2)c2CCN(Cc3ccnn3C(F)F)Cc2n1
Show InChI InChI=1S/C19H17ClF2N6O/c20-11-1-2-15(24-8-11)14-7-16(18(23)29)26-17-10-27(6-4-13(14)17)9-12-3-5-25-28(12)19(21)22/h1-3,5,7-8,19H,4,6,9-10H2,(H2,23,29)
PDB

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n/an/a 1.94E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277184
PNG
(4-(2-chlorophenyl)-7-{[2- (trifluoromethyl)pyrimid...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1ccccc1Cl
Show InChI InChI=1S/C21H17ClF3N5O/c22-16-4-2-1-3-13(16)15-9-17(19(26)31)29-18-11-30(8-6-14(15)18)10-12-5-7-27-20(28-12)21(23,24)25/h1-5,7,9H,6,8,10-11H2,(H2,26,31)
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n/an/a 1.97E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277163
PNG
((S) or (R)-4-(2,4- difluorophenyl)-7-[(1S)-1- (1-m...)
Show SMILES CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1ccnn1C
Show InChI InChI=1S/C21H21F2N5O/c1-12(20-5-7-25-27(20)2)28-8-6-15-16(14-4-3-13(22)9-17(14)23)10-18(21(24)29)26-19(15)11-28/h3-5,7,9-10,12H,6,8,11H2,1-2H3,(H2,24,29)
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n/an/a 2.01E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277197
PNG
(4-(6-azaspiro[2.5]oct-6-yl)-7-{[6- (trifluoromethy...)
Show SMILES NC(=O)c1cc(N2CCC3(CC3)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C22H25F3N6O/c23-22(24,25)19-9-14(27-13-28-19)11-30-6-1-15-17(12-30)29-16(20(26)32)10-18(15)31-7-4-21(2-3-21)5-8-31/h9-10,13H,1-8,11-12H2,(H2,26,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277111
PNG
(4-(3,4-difluorophenyl)-7-{[2- (trifluoromethyl)pyr...)
Show SMILES NC(=O)c1cc(-c2ccc(F)c(F)c2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C22H17F5N4O/c23-16-2-1-13(8-17(16)24)15-9-18(21(28)32)30-19-11-31(6-4-14(15)19)10-12-3-5-29-20(7-12)22(25,26)27/h1-3,5,7-9H,4,6,10-11H2,(H2,28,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277135
PNG
(US10072003, Example 3-1A | US10072003, Example 3-1...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc2n1)C(c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O/c23-15-5-3-13(4-6-15)17-10-18(21(27)31)29-19-12-30(9-7-16(17)19)20(22(24,25)26)14-2-1-8-28-11-14/h1-6,8,10-11,20H,7,9,12H2,(H2,27,31)
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n/an/a 2.12E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277161
PNG
((S) or (R)-4-[1- (difluoromethyl)-1H- pyrazol-4-yl...)
Show SMILES CC(N1CCc2c(C1)nc(cc2-c1cnn(c1)C(F)F)C(N)=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F5N6O/c1-11(12-2-4-28-18(6-12)21(24,25)26)31-5-3-14-15(13-8-29-32(9-13)20(22)23)7-16(19(27)33)30-17(14)10-31/h2,4,6-9,11,20H,3,5,10H2,1H3,(H2,27,33)
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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277149
PNG
((S) or (R)-4-(3- fluoropiperidin-1-yl)-7-((2- (tri...)
Show SMILES NC(=O)c1cc(N2CCCC(F)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C21H23F4N5O/c22-14-2-1-6-30(11-14)18-9-16(20(26)31)28-17-12-29(7-4-15(17)18)10-13-3-5-27-19(8-13)21(23,24)25/h3,5,8-9,14H,1-2,4,6-7,10-12H2,(H2,26,31)
PDB

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n/an/a 2.14E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277091
PNG
(4-(2,4-difluorophenyl)-7- [(1,4-dimethyl-1H- pyraz...)
Show SMILES Cc1cnn(C)c1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C21H21F2N5O/c1-12-9-25-27(2)20(12)11-28-6-5-15-16(14-4-3-13(22)7-17(14)23)8-18(21(24)29)26-19(15)10-28/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,29)
PDB

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n/an/a 2.18E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277135
PNG
(US10072003, Example 3-1A | US10072003, Example 3-1...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc2n1)C(c1cccnc1)C(F)(F)F
Show InChI InChI=1S/C22H18F4N4O/c23-15-5-3-13(4-6-15)17-10-18(21(27)31)29-19-12-30(9-7-16(17)19)20(22(24,25)26)14-2-1-8-28-11-14/h1-6,8,10-11,20H,7,9,12H2,(H2,27,31)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277134
PNG
(4-(3-cyclopropylisothiazol-5-yl)-7-{[2- (difluorom...)
Show SMILES NC(=O)c1cc(-c2cc(ns2)C2CC2)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
Show InChI InChI=1S/C22H21F2N5O2S/c23-22(24)31-20-7-12(3-5-26-20)10-29-6-4-14-15(8-17(21(25)30)27-18(14)11-29)19-9-16(28-32-19)13-1-2-13/h3,5,7-9,13,22H,1-2,4,6,10-11H2,(H2,25,30)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277113
PNG
(4-(4-fluorophenyl)-7-[3- (methylsulfonyl)benzyl]-5...)
Show SMILES CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
Show InChI InChI=1S/C23H22FN3O3S/c1-31(29,30)18-4-2-3-15(11-18)13-27-10-9-19-20(16-5-7-17(24)8-6-16)12-21(23(25)28)26-22(19)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277206
PNG
(US10072003, Example 15-1A | US10072003, Example 15...)
Show SMILES CC1(C)CC(O)(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CO1
Show InChI InChI=1S/C24H29F2N3O3/c1-22(2)11-24(31,13-32-22)12-29-8-7-16-17(15-6-5-14(25)9-18(15)26)10-19(21(27)30)28-20(16)23(29,3)4/h5-6,9-10,31H,7-8,11-13H2,1-4H3,(H2,27,30)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277173
PNG
(4-(4-chloro-2-fluorophenyl)-7-[(1-methyl-1H- 1,2,4...)
Show SMILES Cn1ncnc1CN1CCc2c(C1)nc(cc2-c1ccc(Cl)cc1F)C(N)=O
Show InChI InChI=1S/C19H18ClFN6O/c1-26-18(23-10-24-26)9-27-5-4-13-14(12-3-2-11(20)6-15(12)21)7-16(19(22)28)25-17(13)8-27/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,22,28)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277103
PNG
((S) or (R)-4-(2,4- difluorophenyl)-7-[(6,6- dimeth...)
Show SMILES CC1(C)CCC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CO1
Show InChI InChI=1S/C23H27F2N3O2/c1-23(2)7-5-14(13-30-23)11-28-8-6-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)12-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277206
PNG
(US10072003, Example 15-1A | US10072003, Example 15...)
Show SMILES CC1(C)CC(O)(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CO1
Show InChI InChI=1S/C24H29F2N3O3/c1-22(2)11-24(31,13-32-22)12-29-8-7-16-17(15-6-5-14(25)9-18(15)26)10-19(21(27)30)28-20(16)23(29,3)4/h5-6,9-10,31H,7-8,11-13H2,1-4H3,(H2,27,30)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277181
PNG
(US10072003, Example 11-1)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1F |(8,2.31,;6.67,3.08,;6.67,4.62,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;1.33,,;,.77,;,2.31,;-1.33,3.08,;-2.67,2.31,;-2.67,.77,;-4,,;-5.33,.77,;-5.33,2.31,;-4,3.08,;-6.67,3.08,;-6.67,4.62,;-8,2.31,;-5.33,3.85,;1.33,3.08,;2.67,2.31,;4,3.08,;4,-1.54,;5.33,-2.31,;6.67,-1.54,;5.33,-3.85,;4,-4.62,;2.67,-3.85,;2.67,-2.31,;1.33,-1.54,)|
Show InChI InChI=1S/C21H16F5N5O/c22-14-2-1-3-15(23)18(14)13-8-16(19(27)32)30-17-10-31(7-5-12(13)17)9-11-4-6-28-20(29-11)21(24,25)26/h1-4,6,8H,5,7,9-10H2,(H2,27,32)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277191
PNG
(7-{[6-(trifluoromethyl)pyrimidin-4- yl]methyl}-4-(...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1)-c1c(F)cc(F)cc1F |(8,3.08,;6.67,3.85,;6.67,5.39,;5.33,3.08,;5.33,1.54,;4,.77,;2.67,1.54,;1.33,.77,;,1.54,;,3.08,;-1.33,3.85,;-2.67,3.08,;-4,3.85,;-5.33,3.08,;-5.33,1.54,;-4,.77,;-2.67,1.54,;-6.67,3.85,;-8,3.08,;-8,4.62,;-6.67,5.39,;1.33,3.85,;2.67,3.08,;4,3.85,;4,-.77,;2.67,-1.54,;1.33,-.77,;2.67,-3.08,;4,-3.85,;4,-5.39,;5.33,-3.08,;5.33,-1.54,;6.67,-.77,)|
Show InChI InChI=1S/C21H15F6N5O/c22-10-3-14(23)19(15(24)4-10)13-6-16(20(28)33)31-17-8-32(2-1-12(13)17)7-11-5-18(21(25,26)27)30-9-29-11/h3-6,9H,1-2,7-8H2,(H2,28,33)
PDB

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n/an/a 2.61E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277123
PNG
(7-{[2-(difluoromethoxy)pyridin-4- yl]methyl}-4-(3-...)
Show SMILES Cc1cc(sn1)-c1cc(nc2CN(Cc3ccnc(OC(F)F)c3)CCc12)C(N)=O
Show InChI InChI=1S/C20H19F2N5O2S/c1-11-6-17(30-26-11)14-8-15(19(23)28)25-16-10-27(5-3-13(14)16)9-12-2-4-24-18(7-12)29-20(21)22/h2,4,6-8,20H,3,5,9-10H2,1H3,(H2,23,28)
PDB

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n/an/a 2.67E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277204
PNG
(US10072003, Example 14-2A | US10072003, Example 14...)
Show SMILES CC1(C)CC(O)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27F2N3O3/c1-22(2)12-23(30,6-8-31-22)13-28-7-5-16-17(15-4-3-14(24)9-18(15)25)10-19(21(26)29)27-20(16)11-28/h3-4,9-10,30H,5-8,11-13H2,1-2H3,(H2,26,29)
PDB

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n/an/a 2.71E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277170
PNG
(US10072003, Example 9-1)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ncon3)Cc2n1)-c1ccc(Cl)cc1F
Show InChI InChI=1S/C18H15ClFN5O2/c19-10-1-2-11(14(20)5-10)13-6-15(18(21)26)23-16-7-25(4-3-12(13)16)8-17-22-9-27-24-17/h1-2,5-6,9H,3-4,7-8H2,(H2,21,26)
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n/an/a 2.77E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277109
PNG
(US10072003, Example 2-2)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(Cc3ccccc3C(N)=O)Cc2n1
Show InChI InChI=1S/C23H21FN4O2/c24-16-7-5-14(6-8-16)19-11-20(23(26)30)27-21-13-28(10-9-18(19)21)12-15-3-1-2-4-17(15)22(25)29/h1-8,11H,9-10,12-13H2,(H2,25,29)(H2,26,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277106
PNG
(US10072003, Example 1-23A | US10072003, Example 1-...)
Show SMILES CC1(C)CC(CN2CCc3c(cc(nc3C2(C)C)C(N)=O)-c2ccc(F)cc2F)CCO1
Show InChI InChI=1S/C25H31F2N3O2/c1-24(2)13-15(8-10-32-24)14-30-9-7-18-19(17-6-5-16(26)11-20(17)27)12-21(23(28)31)29-22(18)25(30,3)4/h5-6,11-12,15H,7-10,13-14H2,1-4H3,(H2,28,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277146
PNG
(4-(5-azaspiro[2.5]oct-5-yl)- 7-{[2- (trifluorometh...)
Show SMILES NC(=O)c1cc(N2CCCC3(CC3)C2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C23H26F3N5O/c24-23(25,26)20-10-15(2-7-28-20)12-30-9-3-16-18(13-30)29-17(21(27)32)11-19(16)31-8-1-4-22(14-31)5-6-22/h2,7,10-11H,1,3-6,8-9,12-14H2,(H2,27,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277161
PNG
((S) or (R)-4-[1- (difluoromethyl)-1H- pyrazol-4-yl...)
Show SMILES CC(N1CCc2c(C1)nc(cc2-c1cnn(c1)C(F)F)C(N)=O)c1ccnc(c1)C(F)(F)F
Show InChI InChI=1S/C21H19F5N6O/c1-11(12-2-4-28-18(6-12)21(24,25)26)31-5-3-14-15(13-8-29-32(9-13)20(22)23)7-16(19(27)33)30-17(14)10-31/h2,4,6-9,11,20H,3,5,10H2,1H3,(H2,27,33)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277092
PNG
((R) or (S)-4-(2,4- difluorophenyl)-7-[(2,2- dimeth...)
Show SMILES CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27F2N3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277112
PNG
(4-[1-(difluoromethyl)-1H-pyrazol-4-yl]-7- {[2-(tri...)
Show SMILES NC(=O)c1cc(-c2cnn(c2)C(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C20H17F5N6O/c21-19(22)31-9-12(7-28-31)14-6-15(18(26)32)29-16-10-30(4-2-13(14)16)8-11-1-3-27-17(5-11)20(23,24)25/h1,3,5-7,9,19H,2,4,8,10H2,(H2,26,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277177
PNG
(US10072003, Example 10-1)
Show SMILES CC1(CN2CCc3c(C2)nc(cc3-c2ccc(Cl)cc2F)C(N)=O)COC1
Show InChI InChI=1S/C20H21ClFN3O2/c1-20(10-27-11-20)9-25-5-4-14-15(13-3-2-12(21)6-16(13)22)7-17(19(23)26)24-18(14)8-25/h2-3,6-7H,4-5,8-11H2,1H3,(H2,23,26)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277204
PNG
(US10072003, Example 14-2A | US10072003, Example 14...)
Show SMILES CC1(C)CC(O)(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27F2N3O3/c1-22(2)12-23(30,6-8-31-22)13-28-7-5-16-17(15-4-3-14(24)9-18(15)25)10-19(21(26)29)27-20(16)11-28/h3-4,9-10,30H,5-8,11-13H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277154
PNG
(4-[4-(trifluoromethyl)-1H- pyrazol-1-yl]-7-{[2- (t...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C(F)(F)F
Show InChI InChI=1S/C20H16F6N6O/c21-19(22,23)12-7-29-32(9-12)16-6-14(18(27)33)30-15-10-31(4-2-13(15)16)8-11-1-3-28-17(5-11)20(24,25)26/h1,3,5-7,9H,2,4,8,10H2,(H2,27,33)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277128
PNG
(7-[(1-methyl-1H-1,2,3-triazol-5-yl)methyl]- 4-(2,4...)
Show SMILES Cn1nncc1CN1CCc2c(C1)nc(cc2-c1c(F)cc(F)cc1F)C(N)=O |(-2.82,.77,;-4.15,1.54,;-5.61,1.06,;-6.52,2.31,;-5.61,3.56,;-4.15,3.08,;-2.82,3.85,;-1.48,3.08,;-1.48,1.54,;-.15,.77,;1.18,1.54,;1.18,3.08,;-.15,3.85,;2.52,3.85,;3.85,3.08,;3.85,1.54,;2.52,.77,;2.52,-.77,;1.18,-1.54,;-.15,-.77,;1.18,-3.08,;2.52,-3.85,;2.52,-5.39,;3.85,-3.08,;3.85,-1.54,;5.19,-.77,;5.19,3.85,;6.52,3.08,;5.19,5.39,)|
Show InChI InChI=1S/C19H17F3N6O/c1-27-11(7-24-26-27)8-28-3-2-12-13(6-16(19(23)29)25-17(12)9-28)18-14(21)4-10(20)5-15(18)22/h4-7H,2-3,8-9H2,1H3,(H2,23,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277196
PNG
(4-(4,4-difluoropiperidin-1-yl)-7-{[6- (trifluorome...)
Show SMILES NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3cc(ncn3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C20H21F5N6O/c21-19(22)2-5-31(6-3-19)16-8-14(18(26)32)29-15-10-30(4-1-13(15)16)9-12-7-17(20(23,24)25)28-11-27-12/h7-8,11H,1-6,9-10H2,(H2,26,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277159
PNG
(US10072003, Example 7-1 | US10072003, Example 7-2)
Show SMILES CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1cnnn1C
Show InChI InChI=1S/C20H20F2N6O/c1-11(19-9-24-26-27(19)2)28-6-5-14-15(13-4-3-12(21)7-16(13)22)8-17(20(23)29)25-18(14)10-28/h3-4,7-9,11H,5-6,10H2,1-2H3,(H2,23,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277096
PNG
(7-(((2S,4R) or (2R,4S)-2- cyclobutyltetrahydro-2H-...)
Show SMILES NC(=O)c1cc(c2CCN(CC3CCOC(C3)C3CCC3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C25H29F2N3O2/c26-17-4-5-18(21(27)11-17)20-12-22(25(28)31)29-23-14-30(8-6-19(20)23)13-15-7-9-32-24(10-15)16-2-1-3-16/h4-5,11-12,15-16,24H,1-3,6-10,13-14H2,(H2,28,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277117
PNG
(7-[(2-cyclopropylpyridin-4-yl)methyl]-4-(4- fluoro...)
Show SMILES COc1cc(F)ccc1-c1cc(nc2CN(Cc3ccnc(c3)C3CC3)CCc12)C(N)=O
Show InChI InChI=1S/C25H25FN4O2/c1-32-24-11-17(26)4-5-19(24)20-12-22(25(27)31)29-23-14-30(9-7-18(20)23)13-15-6-8-28-21(10-15)16-2-3-16/h4-6,8,10-12,16H,2-3,7,9,13-14H2,1H3,(H2,27,31)
PDB

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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277193
PNG
(US10072003, Example 12-1)
Show SMILES NC(=O)c1cc(N2CCC(F)(F)CC2)c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C20H21F5N6O/c21-19(22)3-7-31(8-4-19)16-9-14(17(26)32)29-15-11-30(6-2-13(15)16)10-12-1-5-27-18(28-12)20(23,24)25/h1,5,9H,2-4,6-8,10-11H2,(H2,26,32)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277132
PNG
(4-(4-cyano-1H-pyrazol-1-yl)-7-{[2- (trifluoromethy...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1cc(cn1)C#N
Show InChI InChI=1S/C20H16F3N7O/c21-20(22,23)18-5-12(1-3-26-18)9-29-4-2-14-16(11-29)28-15(19(25)31)6-17(14)30-10-13(7-24)8-27-30/h1,3,5-6,8,10H,2,4,9,11H2,(H2,25,31)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277145
PNG
(4-(4,4-difluoropiperidin-1- yl)-7-[(2-methoxypyrid...)
Show SMILES COc1cc(CN2CCc3c(C2)nc(cc3N2CCC(F)(F)CC2)C(N)=O)ccn1
Show InChI InChI=1S/C21H25F2N5O2/c1-30-19-10-14(2-6-25-19)12-27-7-3-15-17(13-27)26-16(20(24)29)11-18(15)28-8-4-21(22,23)5-9-28/h2,6,10-11H,3-5,7-9,12-13H2,1H3,(H2,24,29)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277151
PNG
(4-(3,4-dimethyl-1H- pyrazol-1-yl)-7-{[2- (trifluor...)
Show SMILES Cc1cn(nc1C)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C21H21F3N6O/c1-12-9-30(28-13(12)2)18-8-16(20(25)31)27-17-11-29(6-4-15(17)18)10-14-3-5-26-19(7-14)21(22,23)24/h3,5,7-9H,4,6,10-11H2,1-2H3,(H2,25,31)
PDB

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n/an/a 4.27E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277187
PNG
(4-(2-chloro-6-fluorophenyl)-7-{[2- (trifluoromethy...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1c(F)cccc1Cl |(-8,-2.31,;-6.67,-3.08,;-6.67,-4.62,;-5.33,-2.31,;-5.33,-.77,;-4,,;-2.67,-.77,;-1.33,,;,-.77,;,-2.31,;1.33,-3.08,;2.67,-2.31,;2.67,-.77,;4,,;5.33,-.77,;5.33,-2.31,;4,-3.08,;6.67,-3.08,;8,-2.31,;6.67,-4.62,;8,-3.85,;-1.33,-3.08,;-2.67,-2.31,;-4,-3.08,;-4,1.54,;-5.33,2.31,;-6.67,1.54,;-5.33,3.85,;-4,4.62,;-2.67,3.85,;-2.67,2.31,;-1.33,1.54,)|
Show InChI InChI=1S/C21H16ClF4N5O/c22-14-2-1-3-15(23)18(14)13-8-16(19(27)32)30-17-10-31(7-5-12(13)17)9-11-4-6-28-20(29-11)21(24,25)26/h1-4,6,8H,5,7,9-10H2,(H2,27,32)
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n/an/a 4.52E+4n/an/an/an/an/an/a



TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277122
PNG
(7-{[2-(difluoromethoxy)pyridin-4- yl]methyl}-4-[2-...)
Show SMILES NC(=O)c1cc(-c2cnc(s2)C(F)F)c2CCN(Cc3ccnc(OC(F)F)c3)Cc2n1
Show InChI InChI=1S/C20H17F4N5O2S/c21-17(22)19-27-7-15(32-19)12-6-13(18(25)30)28-14-9-29(4-2-11(12)14)8-10-1-3-26-16(5-10)31-20(23)24/h1,3,5-7,17,20H,2,4,8-9H2,(H2,25,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277092
PNG
((R) or (S)-4-(2,4- difluorophenyl)-7-[(2,2- dimeth...)
Show SMILES CC1(C)CC(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2F)C(N)=O)CCO1
Show InChI InChI=1S/C23H27F2N3O2/c1-23(2)11-14(6-8-30-23)12-28-7-5-17-18(16-4-3-15(24)9-19(16)25)10-20(22(26)29)27-21(17)13-28/h3-4,9-10,14H,5-8,11-13H2,1-2H3,(H2,26,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277159
PNG
(US10072003, Example 7-1 | US10072003, Example 7-2)
Show SMILES CC(N1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O)c1cnnn1C
Show InChI InChI=1S/C20H20F2N6O/c1-11(19-9-24-26-27(19)2)28-6-5-14-15(13-4-3-12(21)7-16(13)22)8-17(20(23)29)25-18(14)10-28/h3-4,7-9,11H,5-6,10H2,1-2H3,(H2,23,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277120
PNG
(4-(2-fluorophenyl)-7-[3- (methylsulfonyl)benzyl]-5...)
Show SMILES CS(=O)(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccccc2F)C(N)=O)c1
Show InChI InChI=1S/C23H22FN3O3S/c1-31(29,30)16-6-4-5-15(11-16)13-27-10-9-18-19(17-7-2-3-8-20(17)24)12-21(23(25)28)26-22(18)14-27/h2-8,11-12H,9-10,13-14H2,1H3,(H2,25,28)
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n/an/a 4.78E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277125
PNG
(4-(2,4-difluorophenyl)-7-[(1-methyl-1H- tetrazol-5...)
Show SMILES Cn1nnnc1CN1CCc2c(C1)nc(cc2-c1ccc(F)cc1F)C(N)=O
Show InChI InChI=1S/C18H17F2N7O/c1-26-17(23-24-25-26)9-27-5-4-12-13(11-3-2-10(19)6-14(11)20)7-15(18(21)28)22-16(12)8-27/h2-3,6-7H,4-5,8-9H2,1H3,(H2,21,28)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277140
PNG
(US10072003, Example 4-2)
Show SMILES NC(=O)c1cc(C2=CCC3(CC3)CC2)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1 |t:6|
Show InChI InChI=1S/C24H25F3N4O/c25-24(26,27)21-11-15(3-9-29-21)13-31-10-4-17-18(12-19(22(28)32)30-20(17)14-31)16-1-5-23(6-2-16)7-8-23/h1,3,9,11-12H,2,4-8,10,13-14H2,(H2,28,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277105
PNG
((S) or (R)-4-(4- methoxypiperidin-1-yl)- 8-methyl-...)
Show SMILES COC1CCN(CC1)c1cc(nc2C(C)N(Cc3ccnn3C(C)C)CCc12)C(N)=O
Show InChI InChI=1S/C23H34N6O2/c1-15(2)29-17(5-9-25-29)14-28-12-8-19-21(27-10-6-18(31-4)7-11-27)13-20(23(24)30)26-22(19)16(28)3/h5,9,13,15-16,18H,6-8,10-12,14H2,1-4H3,(H2,24,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277141
PNG
(US10072003, Example 4-3A | US10072003, Example 4-3...)
Show SMILES COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2C1=CCC(C)CC1)C(N)=O)C(F)(F)F |t:22|
Show InChI InChI=1S/C24H27F3N4O2/c1-14-3-5-15(6-4-14)18-12-19(23(28)32)30-20-13-31(10-8-17(18)20)22(24(25,26)27)16-7-9-29-21(11-16)33-2/h5,7,9,11-12,14,22H,3-4,6,8,10,13H2,1-2H3,(H2,28,32)
PDB

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n/an/a 5.12E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277182
PNG
(4-(2,5-difluorophenyl)-7-{[2- (trifluoromethyl)pyr...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-c1cc(F)ccc1F
Show InChI InChI=1S/C21H16F5N5O/c22-11-1-2-16(23)15(7-11)14-8-17(19(27)32)30-18-10-31(6-4-13(14)18)9-12-3-5-28-20(29-12)21(24,25)26/h1-3,5,7-8H,4,6,9-10H2,(H2,27,32)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277108
PNG
(US10072003, Example 2-1)
Show SMILES NC(=O)c1cccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)c1
Show InChI InChI=1S/C23H21FN4O2/c24-17-6-4-15(5-7-17)19-11-20(23(26)30)27-21-13-28(9-8-18(19)21)12-14-2-1-3-16(10-14)22(25)29/h1-7,10-11H,8-9,12-13H2,(H2,25,29)(H2,26,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277126
PNG
(4-[3-(trifluoromethyl)-1H-pyrazol-1-yl]-7- {[2-(tr...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1)-n1ccc(n1)C(F)(F)F
Show InChI InChI=1S/C20H16F6N6O/c21-19(22,23)16-3-6-32(30-16)15-8-13(18(27)33)29-14-10-31(5-2-12(14)15)9-11-1-4-28-17(7-11)20(24,25)26/h1,3-4,6-8H,2,5,9-10H2,(H2,27,33)
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TBA

US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277144
PNG
((R)-4-(2- methylmorpholino)-7-((2- (trifluoromethy...)
Show SMILES C[C@@H]1CN(CCO1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O |r|
Show InChI InChI=1S/C21H24F3N5O2/c1-13-10-29(6-7-31-13)18-9-16(20(25)30)27-17-12-28(5-3-15(17)18)11-14-2-4-26-19(8-14)21(22,23)24/h2,4,8-9,13H,3,5-7,10-12H2,1H3,(H2,25,30)/t13-/m1/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277084
PNG
(US10072003, Example 1-4)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(CCc3cccnc3N)Cc2n1
Show InChI InChI=1S/C22H22FN5O/c23-16-5-3-14(4-6-16)18-12-19(22(25)29)27-20-13-28(11-8-17(18)20)10-7-15-2-1-9-26-21(15)24/h1-6,9,12H,7-8,10-11,13H2,(H2,24,26)(H2,25,29)
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n/an/a 8.35E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277095
PNG
(7-[(1-tert-butyl-1H- pyrazol-5-yl)methyl]-4- pyrid...)
Show SMILES CC(C)(C)n1nccc1CN1CCc2c(C1)nc(cc2-c1ccncc1)C(N)=O
Show InChI InChI=1S/C22H26N6O/c1-22(2,3)28-16(6-10-25-28)13-27-11-7-17-18(15-4-8-24-9-5-15)12-19(21(23)29)26-20(17)14-27/h4-6,8-10,12H,7,11,13-14H2,1-3H3,(H2,23,29)
PDB

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n/an/a 8.41E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277141
PNG
(US10072003, Example 4-3A | US10072003, Example 4-3...)
Show SMILES COc1cc(ccn1)C(N1CCc2c(C1)nc(cc2C1=CCC(C)CC1)C(N)=O)C(F)(F)F |t:22|
Show InChI InChI=1S/C24H27F3N4O2/c1-14-3-5-15(6-4-14)18-12-19(23(28)32)30-20-13-31(10-8-17(18)20)22(24(25,26)27)16-7-9-29-21(11-16)33-2/h5,7,9,11-12,14,22H,3-4,6,8,10,13H2,1-2H3,(H2,28,32)
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n/an/a 8.66E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277152
PNG
(4-(4-methoxy-1H-pyrazol- 1-yl)-7-{[2- (trifluorome...)
Show SMILES COc1cnn(c1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C20H19F3N6O2/c1-31-13-8-26-29(10-13)17-7-15(19(24)30)27-16-11-28(5-3-14(16)17)9-12-2-4-25-18(6-12)20(21,22)23/h2,4,6-8,10H,3,5,9,11H2,1H3,(H2,24,30)
PDB

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n/an/a 8.87E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277153
PNG
((S) or (R)-4-(4-methyl-3- (trifluoromethyl)piperaz...)
Show SMILES CN1CCN(CC1C(F)(F)F)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C22H24F6N6O/c1-32-6-7-34(12-19(32)22(26,27)28)17-9-15(20(29)35)31-16-11-33(5-3-14(16)17)10-13-2-4-30-18(8-13)21(23,24)25/h2,4,8-9,19H,3,5-7,10-12H2,1H3,(H2,29,35)
PDB

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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277195
PNG
(4-(4-chloro-1H-pyrazol-1-yl)-7-{[2- (trifluorometh...)
Show SMILES NC(=O)c1cc(c2CCN(Cc3ccnc(n3)C(F)(F)F)Cc2n1)-n1cc(Cl)cn1
Show InChI InChI=1S/C18H15ClF3N7O/c19-10-6-25-29(7-10)15-5-13(16(23)30)27-14-9-28(4-2-12(14)15)8-11-1-3-24-17(26-11)18(20,21)22/h1,3,5-7H,2,4,8-9H2,(H2,23,30)
PDB

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n/an/a 9.32E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277078
PNG
(US10072003, Example 1-1A | US10072003, Example 1-1...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCN[C@H](C3)C(F)(F)F)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCN[C@@H](C3)C(F)(F)F)Cc2n1 |r|
Show InChI InChI=1S/2C22H24F4N4O/c2*23-15-3-1-14(2-4-15)17-10-18(21(27)31)29-19-12-30(8-6-16(17)19)11-13-5-7-28-20(9-13)22(24,25)26/h2*1-4,10,13,20,28H,5-9,11-12H2,(H2,27,31)/t2*13-,20+/m10/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277078
PNG
(US10072003, Example 1-1A | US10072003, Example 1-1...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCN[C@H](C3)C(F)(F)F)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCN[C@@H](C3)C(F)(F)F)Cc2n1 |r|
Show InChI InChI=1S/2C22H24F4N4O/c2*23-15-3-1-14(2-4-15)17-10-18(21(27)31)29-19-12-30(8-6-16(17)19)11-13-5-7-28-20(9-13)22(24,25)26/h2*1-4,10,13,20,28H,5-9,11-12H2,(H2,27,31)/t2*13-,20+/m10/s1
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US Patent
n/an/a 9.82E+4n/an/an/an/an/an/a



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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277124
PNG
(4-(2,4-difluorophenyl)-7-(2-morpholin-4-yl- 2-oxoe...)
Show SMILES NC(=O)c1cc(c2CCN(CC(=O)N3CCOCC3)Cc2n1)-c1ccc(F)cc1F
Show InChI InChI=1S/C21H22F2N4O3/c22-13-1-2-14(17(23)9-13)16-10-18(21(24)29)25-19-11-26(4-3-15(16)19)12-20(28)27-5-7-30-8-6-27/h1-2,9-10H,3-8,11-12H2,(H2,24,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277143
PNG
(US10072003, Example 5-1)
Show SMILES Cc1cn(cn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C20H19F3N6O/c1-12-8-29(11-26-12)17-7-15(19(24)30)27-16-10-28(5-3-14(16)17)9-13-2-4-25-18(6-13)20(21,22)23/h2,4,6-8,11H,3,5,9-10H2,1H3,(H2,24,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277110
PNG
(US10072003, Example 2-3)
Show SMILES NC(=O)c1ccc(CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)cc1
Show InChI InChI=1S/C23H21FN4O2/c24-17-7-5-15(6-8-17)19-11-20(23(26)30)27-21-13-28(10-9-18(19)21)12-14-1-3-16(4-2-14)22(25)29/h1-8,11H,9-10,12-13H2,(H2,25,29)(H2,26,30)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277139
PNG
(US10072003, Example 4-1)
Show SMILES CC1(C)CCC(CC1)c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C24H29F3N4O/c1-23(2)7-3-16(4-8-23)18-12-19(22(28)32)30-20-14-31(10-6-17(18)20)13-15-5-9-29-21(11-15)24(25,26)27/h5,9,11-12,16H,3-4,6-8,10,13-14H2,1-2H3,(H2,28,32)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277158
PNG
(7-[(1-methyl-1H-pyrazol-5- yl)methyl]-4-(2-methyl-...)
Show SMILES Cc1ncc(s1)-c1cc(nc2CN(Cc3ccnn3C)CCc12)C(N)=O
Show InChI InChI=1S/C18H20N6OS/c1-11-20-8-17(26-11)14-7-15(18(19)25)22-16-10-24(6-4-13(14)16)9-12-3-5-21-23(12)2/h3,5,7-8H,4,6,9-10H2,1-2H3,(H2,19,25)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277080
PNG
(US10072003, Example 1-2A | US10072003, Example 1-2...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCO[C@H](C3)C3CC3)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCO[C@@H](C3)C3CC3)Cc2n1 |r|
Show InChI InChI=1S/2C24H28FN3O2/c2*25-18-5-3-16(4-6-18)20-12-21(24(26)29)27-22-14-28(9-7-19(20)22)13-15-8-10-30-23(11-15)17-1-2-17/h2*3-6,12,15,17,23H,1-2,7-11,13-14H2,(H2,26,29)/t2*15-,23+/m10/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277080
PNG
(US10072003, Example 1-2A | US10072003, Example 1-2...)
Show SMILES NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@H]3CCO[C@H](C3)C3CC3)Cc2n1.NC(=O)c1cc(-c2ccc(F)cc2)c2CCN(C[C@@H]3CCO[C@@H](C3)C3CC3)Cc2n1 |r|
Show InChI InChI=1S/2C24H28FN3O2/c2*25-18-5-3-16(4-6-18)20-12-21(24(26)29)27-22-14-28(9-7-19(20)22)13-15-8-10-30-23(11-15)17-1-2-17/h2*3-6,12,15,17,23H,1-2,7-11,13-14H2,(H2,26,29)/t2*15-,23+/m10/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277082
PNG
(US10072003, Example 1-3A | US10072003, Example 1-3...)
Show SMILES CC(C)(C)[C@H]1C[C@@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1.CC(C)(C)[C@@H]1C[C@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1 |r|
Show InChI InChI=1S/2C25H32FN3O2/c2*1-25(2,3)23-12-16(9-11-31-23)14-29-10-8-19-20(17-4-6-18(26)7-5-17)13-21(24(27)30)28-22(19)15-29/h2*4-7,13,16,23H,8-12,14-15H2,1-3H3,(H2,27,30)/t2*16-,23+/m10/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277121
PNG
(4-(2-methylpyridin-4-yl)-7-{[2- (trifluoromethyl)p...)
Show SMILES Cc1cc(ccn1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C22H20F3N5O/c1-13-8-15(3-6-27-13)17-10-18(21(26)31)29-19-12-30(7-4-16(17)19)11-14-2-5-28-20(9-14)22(23,24)25/h2-3,5-6,8-10H,4,7,11-12H2,1H3,(H2,26,31)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277082
PNG
(US10072003, Example 1-3A | US10072003, Example 1-3...)
Show SMILES CC(C)(C)[C@H]1C[C@@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1.CC(C)(C)[C@@H]1C[C@H](CN2CCc3c(C2)nc(cc3-c2ccc(F)cc2)C(N)=O)CCO1 |r|
Show InChI InChI=1S/2C25H32FN3O2/c2*1-25(2,3)23-12-16(9-11-31-23)14-29-10-8-19-20(17-4-6-18(26)7-5-17)13-21(24(27)30)28-22(19)15-29/h2*4-7,13,16,23H,8-12,14-15H2,1-3H3,(H2,27,30)/t2*16-,23+/m10/s1
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277115
PNG
(4-[3-(trifluoromethyl)phenyl]-7-{[2- (trifluoromet...)
Show SMILES NC(=O)c1cc(-c2cccc(c2)C(F)(F)F)c2CCN(Cc3ccnc(c3)C(F)(F)F)Cc2n1
Show InChI InChI=1S/C23H18F6N4O/c24-22(25,26)15-3-1-2-14(9-15)17-10-18(21(30)34)32-19-12-33(7-5-16(17)19)11-13-4-6-31-20(8-13)23(27,28)29/h1-4,6,8-10H,5,7,11-12H2,(H2,30,34)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 2


(Homo sapiens (Human))		BDBM277156
PNG
(4-(4-methyl-1,3-thiazol-2-yl)-7- {[2-(trifluoromet...)
Show SMILES Cc1csc(n1)-c1cc(nc2CN(Cc3ccnc(c3)C(F)(F)F)CCc12)C(N)=O
Show InChI InChI=1S/C20H18F3N5OS/c1-11-10-30-19(26-11)14-7-15(18(24)29)27-16-9-28(5-3-13(14)16)8-12-2-4-25-17(6-12)20(21,22)23/h2,4,6-7,10H,3,5,8-9H2,1H3,(H2,24,29)
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US Patent


Assay Description
The utility of the compounds of the invention as antagonists of metabotropic glutamate receptor activity, in particular mGluR2 activity, may be demon...

US Patent US10072003 (2018)


BindingDB Entry DOI: 10.7270/Q23R0VXK
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%