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Patent code US9650377

Compile Data Set for Download or QSAR

Found 368 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 5


(Homo sapiens (Human))
BDBM136108
PNG
(US8853203, 123b | US9650377, Example 123b)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1ccno1
Show InChI InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)20-6-8-25-29-20)10-19-17-3-1-2-15(14-4-5-14)16(17)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136115
PNG
(US8853203, 128 | US9650377, Example 128)
Show SMILES OCCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C21H22N4O2/c26-9-7-15-12-24(13-23-15)20-10-19-18-3-1-2-16(14-4-5-14)17(18)6-8-25(19)21(27)11-22-20/h1-3,10,12-14,26H,4-9,11H2
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n/an/a 1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136048
PNG
(US8853203, 92 | US9650377, Example 92)
Show SMILES Cc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1
Show InChI InChI=1S/C20H21N5O/c1-13-22-12-25(23-13)19-10-18-17-7-3-6-15(14-4-2-5-14)16(17)8-9-24(18)20(26)11-21-19/h3,6-7,10,12,14H,2,4-5,8-9,11H2,1H3
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n/an/a<1n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136132
PNG
(US8853203, 96-2 | US9650377, Example 96-2)
Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(ccc(F)c3C3CC3)C2=C1
Show InChI InChI=1S/C21H21FN4O2/c1-28-11-14-10-25(12-24-14)19-8-18-15-4-5-17(22)21(13-2-3-13)16(15)6-7-26(18)20(27)9-23-19/h4-5,8,10,12-13H,2-3,6-7,9,11H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136140
PNG
(US8853203, 129 | US9650377, Example 129)
Show SMILES CC(O)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C21H22N4O2/c1-13(26)18-11-24(12-23-18)20-9-19-17-4-2-3-15(14-5-6-14)16(17)7-8-25(19)21(27)10-22-20/h2-4,9,11-14,26H,5-8,10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 2n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136106
PNG
(US8853203, 123 | US9650377, Example 123)
Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/m1/s1
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136049
PNG
(US8853203, 93 | US9650377, Example 93)
Show SMILES COCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C20H21N5O2/c1-27-11-18-22-12-25(23-18)19-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(26)10-21-19/h2-4,9,12-13H,5-8,10-11H2,1H3
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n/an/a 3n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136105
PNG
(US8853203, 122 | US9650377, Example 122)
Show SMILES CO[C@@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C22H24N4O2/c1-14(28-2)19-12-25(13-24-19)21-10-20-18-5-3-4-16(15-6-7-15)17(18)8-9-26(20)22(27)11-23-21/h3-5,10,12-15H,6-9,11H2,1-2H3/t14-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136034
PNG
(US8853203, 88a | US9650377, Example 88a)
Show SMILES CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)-c1ncco1
Show InChI InChI=1S/C22H21N5O2/c1-2-4-15-5-3-6-17-16(15)7-9-27-19(17)11-20(24-12-21(27)28)26-13-18(25-14-26)22-23-8-10-29-22/h3,5-6,8,10-11,13-14H,2,4,7,9,12H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136113
PNG
(US8853203, 124 | US9650377, Example 124)
Show SMILES CCC(=O)c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1
Show InChI InChI=1S/C23H24N4O2/c1-2-21(28)18-8-4-7-17-16(18)9-10-27-20(17)11-22(24-12-23(27)29)26-13-19(25-14-26)15-5-3-6-15/h4,7-8,11,13-15H,2-3,5-6,9-10,12H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308239
PNG
(US9650377, Example 126)
Show SMILES CC(C)(C)[Si](OCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C36H38N4O2Si/c1-36(2,3)43(28-11-6-4-7-12-28,29-13-8-5-9-14-29)42-24-27-23-39(25-38-27)34-21-33-32-16-10-15-30(26-17-18-26)31(32)19-20-40(33)35(41)22-37-34/h4-16,21,23,25-26H,17-20,22,24H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136131
PNG
(US8853203, 143 | US8853203, 96-1 | US9650377, Exam...)
Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C21H22N4O2/c1-27-12-15-11-24(13-23-15)20-9-19-18-4-2-3-16(14-5-6-14)17(18)7-8-25(19)21(26)10-22-20/h2-4,9,11,13-14H,5-8,10,12H2,1H3
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 6n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136078
PNG
(US8853203, 104 | US9650377, Example 104)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ncco1)n1cnc(c1)C1CC1
Show InChI InChI=1S/C22H19N5O2/c28-21-11-24-20(26-12-18(25-13-26)14-4-5-14)10-19-16-2-1-3-17(22-23-7-9-29-22)15(16)6-8-27(19)21/h1-3,7,9-10,12-14H,4-6,8,11H2
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136103
PNG
(US8853203, 120 | US9650377, Example 120)
Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1=CCCC1
Show InChI InChI=1S/C23H24N4O2/c1-29-14-17-13-26(15-25-17)22-11-21-20-8-4-7-18(16-5-2-3-6-16)19(20)9-10-27(21)23(28)12-24-22/h4-5,7-8,11,13,15H,2-3,6,9-10,12,14H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM135998
PNG
(US8853203, 53 | US9650377, Example 53)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
Show InChI InChI=1S/C24H19FN4O2/c1-31-23-11-15(7-9-26-23)20-12-21-19-4-2-3-17(16-5-6-22(25)28-13-16)18(19)8-10-29(21)24(30)14-27-20/h2-7,9,11-13H,8,10,14H2,1H3
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136114
PNG
(US8853203, 127 | US9650377, Example 127)
Show SMILES OC1(CC1)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C22H22N4O2/c27-21-11-23-20(25-12-19(24-13-25)22(28)7-8-22)10-18-17-3-1-2-15(14-4-5-14)16(17)6-9-26(18)21/h1-3,10,12-14,28H,4-9,11H2
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n/an/a 7n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM135975
PNG
(US8853203, 29 | US9650377, Example 39)
Show SMILES Brc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1
Show InChI InChI=1S/C17H13BrN2OS/c18-13-4-1-3-12-11(13)6-7-20-15(12)9-14(19-10-17(20)21)16-5-2-8-22-16/h1-5,8-9H,6-7,10H2
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136109
PNG
(US8853203, 123c | US9650377, Example 123c)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(n1)C1CC1
Show InChI InChI=1S/C21H21N5O/c27-20-11-22-19(26-12-23-21(24-26)14-6-7-14)10-18-17-3-1-2-15(13-4-5-13)16(17)8-9-25(18)20/h1-3,10,12-14H,4-9,11H2
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n/an/a 8n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136020
PNG
(US8853203, 75 | US9650377, Example 75)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)-c1ccco1
Show InChI InChI=1S/C22H20N4O2/c1-2-15-13-25(14-24-15)21-11-19-17-5-3-6-18(20-7-4-10-28-20)16(17)8-9-26(19)22(27)12-23-21/h3-7,10-11,13-14H,2,8-9,12H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136047
PNG
(US8853203, 91 | US9650377, Example 91)
Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CCC1
Show InChI InChI=1S/C22H24N4O2/c1-28-13-16-12-25(14-24-16)21-10-20-19-7-3-6-17(15-4-2-5-15)18(19)8-9-26(20)22(27)11-23-21/h3,6-7,10,12,14-15H,2,4-5,8-9,11,13H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308098
PNG
(US9650377, Example 32)
Show SMILES Cn1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
Show InChI InChI=1S/C17H15IN4O/c1-21-10-11(8-20-21)15-7-16-13-3-2-4-14(18)12(13)5-6-22(16)17(23)9-19-15/h2-4,7-8,10H,5-6,9H2,1H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308212
PNG
(US9650377, Example 109)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1cnco1)n1cnc(c1)C1CC1
Show InChI InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)14-4-5-14)8-19-16-2-1-3-17(20-9-23-13-29-20)15(16)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308166
PNG
(US9650377, Example 90)
Show SMILES CCCc1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(C)c1
Show InChI InChI=1S/C20H22N4O/c1-3-5-15-6-4-7-17-16(15)8-9-24-18(17)10-19(21-11-20(24)25)23-12-14(2)22-13-23/h4,6-7,10,12-13H,3,5,8-9,11H2,1-2H3
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n/an/a 10n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308172
PNG
(2-(3-cyclopropyl-1H-1,2,4-triazol-1-yl)-9-(6-fluor...)
Show SMILES Fc1ccc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-20-7-6-15(11-25-20)16-2-1-3-18-17(16)8-9-29-19(18)10-21(26-12-22(29)31)30-13-27-23(28-30)14-4-5-14/h1-3,6-7,10-11,13-14H,4-5,8-9,12H2
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308234
PNG
(US9650377, Example 123d)
Show SMILES COc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C1CC1
Show InChI InChI=1S/C20H20N4O2/c1-26-19-11-23(12-22-19)18-9-17-16-4-2-3-14(13-5-6-13)15(16)7-8-24(17)20(25)10-21-18/h2-4,9,11-13H,5-8,10H2,1H3
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Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM135999
PNG
(US8853203, 54 | US9650377, Example 54)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccncc3F)C2=C1
Show InChI InChI=1S/C24H19FN4O2/c1-31-23-11-15(5-9-27-23)21-12-22-19-4-2-3-16(18-6-8-26-13-20(18)25)17(19)7-10-29(22)24(30)14-28-21/h2-6,8-9,11-13H,7,10,14H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136107
PNG
(US8853203, 123a | US9650377, Example 123a)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)C1CC1)n1cnc(c1)-c1cnco1
Show InChI InChI=1S/C22H19N5O2/c28-22-10-24-21(26-11-18(25-12-26)20-9-23-13-29-20)8-19-17-3-1-2-15(14-4-5-14)16(17)6-7-27(19)22/h1-3,8-9,11-14H,4-7,10H2
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136031
PNG
(US8853203, 86 | US9650377, Example 86)
Show SMILES CCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)cc3)C2=C1
Show InChI InChI=1S/C24H21FN4O/c1-2-18-14-28(15-27-18)23-12-22-21-5-3-4-19(16-6-8-17(25)9-7-16)20(21)10-11-29(22)24(30)13-26-23/h3-9,12,14-15H,2,10-11,13H2,1H3
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n/an/a 12n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM135979
PNG
(US8853203, 33 | US9650377, Example 33)
Show SMILES COc1cc(ccn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
Show InChI InChI=1S/C19H16IN3O2/c1-25-18-9-12(5-7-21-18)16-10-17-14-3-2-4-15(20)13(14)6-8-23(17)19(24)11-22-16/h2-5,7,9-10H,6,8,11H2,1H3
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n/an/a 13n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM135981
PNG
(US8853203, 35 | US9650377, Example 35)
Show SMILES CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
Show InChI InChI=1S/C19H19IN4O/c1-12(2)24-11-13(9-22-24)17-8-18-15-4-3-5-16(20)14(15)6-7-23(18)19(25)10-21-17/h3-5,8-9,11-12H,6-7,10H2,1-2H3
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136104
PNG
(US8853203, 121 | US9650377, Example 121)
Show SMILES COCc1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C
Show InChI InChI=1S/C21H22N4O2/c1-14(2)16-5-4-6-18-17(16)7-8-25-19(18)9-20(22-10-21(25)26)24-11-15(12-27-3)23-13-24/h4-6,9,11,13H,1,7-8,10,12H2,2-3H3
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136054
PNG
(US8853203, 98 | US9650377, Example 98)
Show SMILES Fc1ncccc1-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CCC1
Show InChI InChI=1S/C25H22FN5O/c26-25-20(8-3-10-27-25)17-6-2-7-19-18(17)9-11-31-22(19)12-23(28-13-24(31)32)30-14-21(29-15-30)16-4-1-5-16/h2-3,6-8,10,12,14-16H,1,4-5,9,11,13H2
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n/an/a 14n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM135976
PNG
(US8853203, 30 | US9650377, Example 49)
Show SMILES COc1cccc(c1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
Show InChI InChI=1S/C20H17IN2O2/c1-25-14-5-2-4-13(10-14)18-11-19-16-6-3-7-17(21)15(16)8-9-23(19)20(24)12-22-18/h2-7,10-11H,8-9,12H2,1H3
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Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM135981
PNG
(US8853203, 35 | US9650377, Example 35)
Show SMILES CC(C)n1cc(cn1)C1=NCC(=O)N2CCc3c(I)cccc3C2=C1
Show InChI InChI=1S/C19H19IN4O/c1-12(2)24-11-13(9-22-24)17-8-18-15-4-3-5-16(20)14(15)6-7-23(18)19(25)10-21-17/h3-5,8-9,11-12H,6-7,10H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 1


(Homo sapiens (Human))
BDBM135951
PNG
(US8853203, 5 | US9650377, Example 5)
Show SMILES COc1cccc2C3=CC(=NCC(=O)N3CCc12)c1cccs1
Show InChI InChI=1S/C18H16N2O2S/c1-22-16-5-2-4-12-13(16)7-8-20-15(12)10-14(19-11-18(20)21)17-6-3-9-23-17/h2-6,9-10H,7-8,11H2,1H3
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n/an/a 15n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention was examined by determination to what extent the glutamate-induced elevation of the intracellular calc...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136055
PNG
(US8853203, 99 | US9650377, Example 99s)
Show SMILES Fc1ccc(c(F)n1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C24H19F2N5O/c25-21-7-6-18(24(26)29-21)15-2-1-3-17-16(15)8-9-31-20(17)10-22(27-11-23(31)32)30-12-19(28-13-30)14-4-5-14/h1-3,6-7,10,12-14H,4-5,8-9,11H2
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136076
PNG
(US8853203, 102 | US9650377, Example 102)
Show SMILES CCc1ncn(n1)C1=NCC(=O)N2CCc3c(cccc3-c3ccc(F)nc3)C2=C1
Show InChI InChI=1S/C22H19FN6O/c1-2-20-26-13-29(27-20)21-10-18-17-5-3-4-15(14-6-7-19(23)24-11-14)16(17)8-9-28(18)22(30)12-25-21/h3-7,10-11,13H,2,8-9,12H2,1H3
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n/an/a 16n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM308252
PNG
(US9650377, Example 139)
Show SMILES Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H19FN6O/c24-21-10-25-18(9-26-21)16-2-1-3-17-15(16)6-7-30-20(17)8-22(27-11-23(30)31)29-12-19(28-13-29)14-4-5-14/h1-3,8-10,12-14H,4-7,11H2
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n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136033
PNG
(US8853203, 88 | US9650377, Example 88j)
Show SMILES Cc1cnc(o1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H21N5O2/c1-14-10-25-23(30-14)18-4-2-3-17-16(18)7-8-28-20(17)9-21(24-11-22(28)29)27-12-19(26-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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US Patent
n/an/a 17n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136077
PNG
(US8853203, 103 | US9650377, Example 103)
Show SMILES Cc1cc(sn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H21N5OS/c1-14-9-21(30-26-14)18-4-2-3-17-16(18)7-8-28-20(17)10-22(24-11-23(28)29)27-12-19(25-13-27)15-5-6-15/h2-4,9-10,12-13,15H,5-8,11H2,1H3
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US Patent
n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136137
PNG
(US8853203, 118 | US9650377, Example 118)
Show SMILES CO[C@H](C)c1cn(cn1)C1=NCC(=O)N2CCc3c(cccc3C2=C1)C(C)=C
Show InChI InChI=1S/C22H24N4O2/c1-14(2)16-6-5-7-18-17(16)8-9-26-20(18)10-21(23-11-22(26)27)25-12-19(24-13-25)15(3)28-4/h5-7,10,12-13,15H,1,8-9,11H2,2-4H3/t15-/m1/s1
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US Patent
n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136134
PNG
(US8853203, 108 | US9650377, Example 108)
Show SMILES Cc1nc(co1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(c1)C1CC1
Show InChI InChI=1S/C23H21N5O2/c1-14-26-20(12-30-14)17-3-2-4-18-16(17)7-8-28-21(18)9-22(24-10-23(28)29)27-11-19(25-13-27)15-5-6-15/h2-4,9,11-13,15H,5-8,10H2,1H3
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US Patent
n/an/a 18n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136133
PNG
(US8853203, 100 | US9650377, Example 100)
Show SMILES O=C1CN=C(C=C2N1CCc1c(cccc21)-c1ccno1)n1cnc(c1)C1CC1
Show InChI InChI=1S/C22H19N5O2/c28-22-11-23-21(26-12-18(24-13-26)14-4-5-14)10-19-16-2-1-3-17(20-6-8-25-29-20)15(16)7-9-27(19)22/h1-3,6,8,10,12-14H,4-5,7,9,11H2
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US Patent
n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

More data for this
Ligand-Target Pair
Metabotropic glutamate receptor 5


(Homo sapiens (Human))
BDBM136121
PNG
(US8853203, 136 | US9650377, Example 136)
Show SMILES Fc1cnc(cn1)-c1cccc2C3=CC(=NCC(=O)N3CCc12)n1cnc(n1)C1CC1
Show InChI InChI=1S/C22H18FN7O/c23-19-10-24-17(9-25-19)15-2-1-3-16-14(15)6-7-29-18(16)8-20(26-11-21(29)31)30-12-27-22(28-30)13-4-5-13/h1-3,8-10,12-13H,4-7,11H2
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US Patent
n/an/a 19n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
Activity of compounds of the present invention with respect to mGluR1 antagonism was examined by an assay based on measurements of L-glutamate induce...


US Patent US9650377 (2017)

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