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Patent code US10399985

Compile Data Set for Download or QSAR
Found 41 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412665
PNG
((2-Methyl-6-((1- methyl-4-phenyl- 1H-imidazol-2- y...)
Show SMILES Cc1nc2ccc(nn2c1CO)C#Cc1nc(cn1C)-c1ccccc1
Show InChI InChI=1S/C20H17N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,13H2,1-2H3
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412696
PNG
(6-(1-Methyl-4- phenyl-1H- imidazol-2- ylethynyl)-2...)
Show SMILES Cn1cc(nc1C#Cc1ccc2nc(cn2n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C19H12F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,1H3
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412698
PNG
((E)-2,3-Dimethyl-6-(2-(1-methyl-3-phenyl-1H-1,2,4-...)
Show SMILES Cc1nc2ccc(\C=C\c3nc(nn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C19H18N6/c1-13-14(2)25-18(20-13)12-10-16(22-25)9-11-17-21-19(23-24(17)3)15-7-5-4-6-8-15/h4-12H,1-3H3/b11-9+
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412693
PNG
(2,3-Dimethyl-5- ((1-methyl-4- phenyl-1H- imidazol-...)
Show SMILES Cc1nn2ccc(nc2c1C)C#Cc1nc(cn1C)-c1ccccc1
Show InChI InChI=1S/C20H17N5/c1-14-15(2)23-25-12-11-17(21-20(14)25)9-10-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,11-13H,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412721
PNG
(2,3,7,8-Tetramethyl-6- ((1-methyl-4-phenyl- 1H-imi...)
Show SMILES Cc1nc2c(C)c(C)c(OCc3nc(cn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C21H23N5O/c1-13-14(2)21(24-26-16(4)15(3)22-20(13)26)27-12-19-23-18(11-25(19)5)17-9-7-6-8-10-17/h6-11H,12H2,1-5H3
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n/an/a 1.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412694
PNG
((2-Cyclopropyl-6- ((1-methyl-4- phenyl-1H- imidazo...)
Show SMILES Cn1cc(nc1C#Cc1ccc2nc(C3CC3)c(CC#N)n2n1)-c1ccccc1
Show InChI InChI=1S/C23H18N6/c1-28-15-19(16-5-3-2-4-6-16)25-21(28)11-9-18-10-12-22-26-23(17-7-8-17)20(13-14-24)29(22)27-18/h2-6,10,12,15,17H,7-8,13H2,1H3
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n/an/a 1.90n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412702
PNG
(2,3-Dimethyl-5-(2-(1- methyl-4-phenyl-1H- imidazol...)
Show SMILES Cc1nn2ccc(CCc3nc(cn3C)-c3ccccc3)nc2c1C
Show InChI InChI=1S/C20H21N5/c1-14-15(2)23-25-12-11-17(21-20(14)25)9-10-19-22-18(13-24(19)3)16-7-5-4-6-8-16/h4-8,11-13H,9-10H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412713
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyridin-2-yl)- 1H-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3ccccn3)nn2c1C
Show InChI InChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)10-8-15(23-25)7-9-18-22-17(12-24(18)3)16-6-4-5-11-20-16/h4-6,8,10-12H,7,9H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412701
PNG
((2-Methyl-6-(2-(1- methyl-4-phenyl-1H- imidazol-2-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3ccccc3)nn2c1CO
Show InChI InChI=1S/C20H21N5O/c1-14-18(13-26)25-20(21-14)11-9-16(23-25)8-10-19-22-17(12-24(19)2)15-6-4-3-5-7-15/h3-7,9,11-12,26H,8,10,13H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412733
PNG
(2,3-Dimethyl-5-((1- methyl-4-phenyl-1H- imidazol-2...)
Show SMILES Cc1nn2ccc(OCc3nc(cn3C)-c3ccccc3)nc2c1C
Show InChI InChI=1S/C19H19N5O/c1-13-14(2)22-24-10-9-18(21-19(13)24)25-12-17-20-16(11-23(17)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412716
PNG
(3,8-Dimethyl-6-(2-(1-methyl-4-(pyridin-2-yl)-1H-im...)
Show SMILES Cc1c(nc2c(C)cc(CCc3nc(cn3C)-c3ccccn3)nn12)C(F)(F)F
Show InChI InChI=1S/C20H19F3N6/c1-12-10-14(27-29-13(2)18(20(21,22)23)26-19(12)29)7-8-17-25-16(11-28(17)3)15-6-4-5-9-24-15/h4-6,9-11H,7-8H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412708
PNG
(3-Methyl-6-[2-(1- methyl-4-phenyl-1H- imidazol-2-y...)
Show SMILES Cc1c(nc2ccc(CCc3nc(cn3C)-c3ccccc3)nn12)C#N
Show InChI InChI=1S/C20H18N6/c1-14-17(12-21)22-20-11-9-16(24-26(14)20)8-10-19-23-18(13-25(19)2)15-6-4-3-5-7-15/h3-7,9,11,13H,8,10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412705
PNG
(2-(Difluoromethyl)-3- methyl-6-(2-(1-methyl- 4-phe...)
Show SMILES Cc1c(nc2ccc(CCc3nc(cn3C)-c3ccccc3)nn12)C(F)F
Show InChI InChI=1S/C20H19F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,8,10H2,1-2H3
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n/an/a 6.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412719
PNG
(2,3-Dimethyl-6-((1-methyl-4-phenyl-1H-imidazol-2-y...)
Show SMILES Cc1nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C19H19N5O/c1-13-14(2)24-17(20-13)9-10-19(22-24)25-12-18-21-16(11-23(18)3)15-7-5-4-6-8-15/h4-11H,12H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412718
PNG
(N,3-Dimethyl-6-(2-(1- methyl-4-(pyridin-2- yl)-1H-...)
Show SMILES CNC(=O)c1cc(CCc2nc(cn2C)-c2ccccn2)nn2c(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C21H20F3N7O/c1-12-18(21(22,23)24)28-19-14(20(32)25-2)10-13(29-31(12)19)7-8-17-27-16(11-30(17)3)15-6-4-5-9-26-15/h4-6,9-11H,7-8H2,1-3H3,(H,25,32)
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412709
PNG
(2,3-Dimethyl-6-(2-(1-methyl-4-(pyrimidin-2-yl)-1H-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3ncccn3)nn2c1C
Show InChI InChI=1S/C18H19N7/c1-12-13(2)25-17(21-12)8-6-14(23-25)5-7-16-22-15(11-24(16)3)18-19-9-4-10-20-18/h4,6,8-11H,5,7H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412700
PNG
(2,3,7,8-Tetramethyl-6- (2-(1-methyl-4-phenyl- 1H-i...)
Show SMILES Cc1nc2c(C)c(C)c(CCc3nc(cn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C22H25N5/c1-14-15(2)22-23-16(3)17(4)27(22)25-19(14)11-12-21-24-20(13-26(21)5)18-9-7-6-8-10-18/h6-10,13H,11-12H2,1-5H3
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n/an/a 10.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412728
PNG
(8-Methoxy-3-methyl- 6-((1-methyl-4-phenyl- 1H-imid...)
Show SMILES COc1cc(OCc2nc(cn2C)-c2ccccc2)nn2c(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C20H18F3N5O2/c1-12-18(20(21,22)23)25-19-15(29-3)9-17(26-28(12)19)30-11-16-24-14(10-27(16)2)13-7-5-4-6-8-13/h4-10H,11H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412697
PNG
(2-Cyclopropyl-3- methyl-6-((1- methyl-4-phenyl- 1H...)
Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(cn1C)-c1ccccc1)C1CC1
Show InChI InChI=1S/C22H19N5/c1-15-22(17-8-9-17)24-21-13-11-18(25-27(15)21)10-12-20-23-19(14-26(20)2)16-6-4-3-5-7-16/h3-7,11,13-14,17H,8-9H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412699
PNG
((E)-3-methyl-6-(2-(1- methyl-4-phenyl-1H- imidazol...)
Show SMILES Cc1c(nc2ccc(\C=C\c3nc(cn3C)-c3ccccc3)nn12)C#N
Show InChI InChI=1S/C20H16N6/c1-14-17(12-21)22-20-11-9-16(24-26(14)20)8-10-19-23-18(13-25(19)2)15-6-4-3-5-7-15/h3-11,13H,1-2H3/b10-8+
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n/an/a 13.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412703
PNG
(3-Methyl-6-(2-(1- methyl-4-phenyl-1H- imidazol-2-y...)
Show SMILES Cc1c(nc2ccc(CCc3nc(cn3C)-c3ccccc3)nn12)C(F)(F)F
Show InChI InChI=1S/C20H18F3N5/c1-13-19(20(21,22)23)25-18-11-9-15(26-28(13)18)8-10-17-24-16(12-27(17)2)14-6-4-3-5-7-14/h3-7,9,11-12H,8,10H2,1-2H3
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n/an/a 20.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412727
PNG
(3-Methyl-6-((1-methyl- 4-phenyl-1H-imidazol- 2- yl...)
Show SMILES Cc1c(nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn12)C#N
Show InChI InChI=1S/C19H16N6O/c1-13-15(10-20)21-17-8-9-19(23-25(13)17)26-12-18-22-16(11-24(18)2)14-6-4-3-5-7-14/h3-9,11H,12H2,1-2H3
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n/an/a 23.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412707
PNG
(2,3-Dimethyl-6-(2-(1- methyl-3-phenyl-1H- 1,2,4-tr...)
Show SMILES Cc1nc2ccc(CCc3nc(nn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C19H20N6/c1-13-14(2)25-18(20-13)12-10-16(22-25)9-11-17-21-19(23-24(17)3)15-7-5-4-6-8-15/h4-8,10,12H,9,11H2,1-3H3
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n/an/a 27.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412711
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyridin-4-yl)- 1H-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3ccncc3)nn2c1C
Show InChI InChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)7-5-16(23-25)4-6-18-22-17(12-24(18)3)15-8-10-20-11-9-15/h5,7-12H,4,6H2,1-3H3
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n/an/a 32.3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412715
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyrazin-2- yl)-1H-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3cnccn3)nn2c1C
Show InChI InChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-14(23-25)4-6-17-22-16(11-24(17)3)15-10-19-8-9-20-15/h5,7-11H,4,6H2,1-3H3
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n/an/a 33.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412723
PNG
(3-Methyl-6-((1-methyl- 4-phenyl-1H-imidazol- 2-yl)...)
Show SMILES Cc1c(nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn12)C(F)(F)F
Show InChI InChI=1S/C19H16F3N5O/c1-12-18(19(20,21)22)24-15-8-9-17(25-27(12)15)28-11-16-23-14(10-26(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3
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n/an/a 34.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412695
PNG
(2- (Difluoromethyl)- 3-methyl-6-((1- methyl-4-phen...)
Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(cn1C)-c1ccccc1)C(F)F
Show InChI InChI=1S/C20H15F2N5/c1-13-19(20(21)22)24-18-11-9-15(25-27(13)18)8-10-17-23-16(12-26(17)2)14-6-4-3-5-7-14/h3-7,9,11-12,20H,1-2H3
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n/an/a 46.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412731
PNG
(2-[(1-Methyl-4-phenyl- imidazol-2- yl)methoxy]-7,8...)
Show SMILES Cn1cc(nc1COc1ccc2nc3CCCc3n2n1)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-24-12-16(14-6-3-2-4-7-14)22-19(24)13-26-20-11-10-18-21-15-8-5-9-17(15)25(18)23-20/h2-4,6-7,10-12H,5,8-9,13H2,1H3
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n/an/a 47n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412720
PNG
(2,3-Dimethyl-6-((1- methyl-3-phenyl-1H- 1,2,4-tria...)
Show SMILES Cc1nc2ccc(OCc3nc(nn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C18H18N6O/c1-12-13(2)24-15(19-12)9-10-17(21-24)25-11-16-20-18(22-23(16)3)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3
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n/an/a 51.6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412714
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyridazin-4- yl)-1...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3ccnnc3)nn2c1C
Show InChI InChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-15(23-25)4-6-17-22-16(11-24(17)3)14-8-9-19-20-10-14/h5,7-11H,4,6H2,1-3H3
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n/an/a 81.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412706
PNG
(6-(2-(1-Methyl-4- phenyl-1H-imidazol-2- yl)ethyl)-...)
Show SMILES Cn1cc(nc1CCc1ccc2nc(cn2n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C19H16F3N5/c1-26-11-15(13-5-3-2-4-6-13)23-17(26)9-7-14-8-10-18-24-16(19(20,21)22)12-27(18)25-14/h2-6,8,10-12H,7,9H2,1H3
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n/an/a 82.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412712
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyrimidin-5- yl)-1...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3cncnc3)nn2c1C
Show InChI InChI=1S/C18H19N7/c1-12-13(2)25-18(21-12)7-5-15(23-25)4-6-17-22-16(10-24(17)3)14-8-19-11-20-9-14/h5,7-11H,4,6H2,1-3H3
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n/an/a 98.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412726
PNG
(3-Methyl-6-((1-methyl- 4-phenyl-1H-imidazol- 2- yl...)
Show SMILES Cc1c(nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn12)C(N)=O
Show InChI InChI=1S/C19H18N6O2/c1-12-18(19(20)26)22-15-8-9-17(23-25(12)15)27-11-16-21-14(10-24(16)2)13-6-4-3-5-7-13/h3-10H,11H2,1-2H3,(H2,20,26)
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n/an/a 114n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412725
PNG
(2-Methyl-6-((1-methyl- 4-phenyl-1H-imidazol- 2- yl...)
Show SMILES Cc1cn2nc(OCc3nc(cn3C)-c3ccccc3)ccc2n1
Show InChI InChI=1S/C18H17N5O/c1-13-10-23-16(19-13)8-9-18(21-23)24-12-17-20-15(11-22(17)2)14-6-4-3-5-7-14/h3-11H,12H2,1-2H3
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n/an/a 133n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412730
PNG
((2-Cyclopropyl-6-((1- methyl-4-phenyl-1H- imidazol...)
Show SMILES Cn1cc(nc1COc1ccc2nc(C3CC3)c(CO)n2n1)-c1ccccc1
Show InChI InChI=1S/C21H21N5O2/c1-25-11-16(14-5-3-2-4-6-14)22-19(25)13-28-20-10-9-18-23-21(15-7-8-15)17(12-27)26(18)24-20/h2-6,9-11,15,27H,7-8,12-13H2,1H3
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n/an/a 167n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412724
PNG
(2-Cyclopropyl-6-((1- methyl-4-phenyl-1H- imidazol-...)
Show SMILES Cn1cc(nc1COc1ccc2nc(cn2n1)C1CC1)-c1ccccc1
Show InChI InChI=1S/C20H19N5O/c1-24-11-16(14-5-3-2-4-6-14)22-19(24)13-26-20-10-9-18-21-17(15-7-8-15)12-25(18)23-20/h2-6,9-12,15H,7-8,13H2,1H3
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n/an/a 169n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412722
PNG
(2-Ethyl-3-methyl-6-((1- methyl-4-phenyl-1H- imidaz...)
Show SMILES CCc1nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn2c1C
Show InChI InChI=1S/C20H21N5O/c1-4-16-14(2)25-18(21-16)10-11-20(23-25)26-13-19-22-17(12-24(19)3)15-8-6-5-7-9-15/h5-12H,4,13H2,1-3H3
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n/an/a 264n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412732
PNG
(6-((1-Methyl-4-phenyl- 1H-imidazol-2- yl)methoxy)-...)
Show SMILES Cn1cc(nc1COc1ccc2nc(cn2n1)C(F)(F)F)-c1ccccc1
Show InChI InChI=1S/C18H14F3N5O/c1-25-9-13(12-5-3-2-4-6-12)22-16(25)11-27-17-8-7-15-23-14(18(19,20)21)10-26(15)24-17/h2-10H,11H2,1H3
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n/an/a 328n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412729
PNG
((3-Methyl-6-((1-methyl- 4-phenyl-1H-imidazol- 2-yl...)
Show SMILES Cc1c(CO)nc2ccc(OCc3nc(cn3C)-c3ccccc3)nn12
Show InChI InChI=1S/C19H19N5O2/c1-13-16(11-25)21-17-8-9-19(22-24(13)17)26-12-18-20-15(10-23(18)2)14-6-4-3-5-7-14/h3-10,25H,11-12H2,1-2H3
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n/an/a 363n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412704
PNG
((2-Cyclopropyl-6-(2- (1-methyl-4-phenyl- 1H-imidaz...)
Show SMILES Cn1cc(nc1CCc1ccc2nc(C3CC3)c(CO)n2n1)-c1ccccc1
Show InChI InChI=1S/C22H23N5O/c1-26-13-18(15-5-3-2-4-6-15)23-20(26)11-9-17-10-12-21-24-22(16-7-8-16)19(14-28)27(21)25-17/h2-6,10,12-13,16,28H,7-9,11,14H2,1H3
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n/an/a 656n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM412710
PNG
(2,3-Dimethyl-6-(2-(1- methyl-4-(pyridin-3-yl)- 1H-...)
Show SMILES Cc1nc2ccc(CCc3nc(cn3C)-c3cccnc3)nn2c1C
Show InChI InChI=1S/C19H20N6/c1-13-14(2)25-19(21-13)9-7-16(23-25)6-8-18-22-17(12-24(18)3)15-5-4-10-20-11-15/h4-5,7,9-12H,6,8H2,1-3H3
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US Patent
n/an/a 1.69E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The following test was carried out in order to determine the activity of the compounds of the present invention. PDE10 activity of the compounds of t...


US Patent US10399985 (2019)


BindingDB Entry DOI: 10.7270/Q25Q4ZGS
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Ligand-Target Pair
* indicates data uncertainty>20%