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USPatent US8703768

Compile Data Set for Download or QSAR

Found 340 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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120578
PNG
(US8703768, 178)
Show SMILES CC(C)(O)CNC(=O)c1nc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C1CCCO1
Show InChI InChI=1S/C26H30N8O4/c1-26(2,37)13-30-24(35)21-18(8-7-17(32-21)20-4-3-9-38-20)34-25(36)22-23(31-16-10-27-14-28-11-16)29-12-19(33-22)15-5-6-15/h7-8,10-12,14-15,20,37H,3-6,9,13H2,1-2H3,(H,29,31)(H,30,35)(H,34,36)
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n/an/a 0.100n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120577
PNG
(US8703768, 177)
Show SMILES CNC(=O)c1nc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C1CCCO1
Show InChI InChI=1S/C23H24N8O3/c1-24-22(32)19-16(7-6-15(29-19)18-3-2-8-34-18)31-23(33)20-21(28-14-9-25-12-26-10-14)27-11-17(30-20)13-4-5-13/h6-7,9-13,18H,2-5,8H2,1H3,(H,24,32)(H,27,28)(H,31,33)
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n/an/a 0.200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120643
PNG
(US8703768, 244)
Show SMILES CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)cnn1CC1CCCO1
Show InChI InChI=1S/C25H31N9O4/c1-25(2,37)13-29-24(36)21-19(11-30-34(21)12-17-4-3-7-38-17)33-23(35)20-22(31-16-8-26-14-27-9-16)28-10-18(32-20)15-5-6-15/h8-11,14-15,17,37H,3-7,12-13H2,1-2H3,(H,28,31)(H,29,36)(H,33,35)
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n/an/a 0.200n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120698
PNG
(Roche-Dataset for PDE10A, Compound 927 | US8703768...)
Show SMILES CNC(=O)c1c(F)cc(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H17F2N7O2/c1-23-19(30)16-13(22)4-11(21)5-14(16)29-20(31)17-18(27-12-6-24-9-25-7-12)26-8-15(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120583
PNG
(Roche-Dataset for PDE10A, Compound 707 | US8703768...)
Show SMILES Cc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(n1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C23H26N8O3/c1-13-4-7-16(18(28-13)21(32)27-11-23(2,3)34)31-22(33)19-20(29-15-8-24-12-25-9-15)26-10-17(30-19)14-5-6-14/h4,7-10,12,14,34H,5-6,11H2,1-3H3,(H,26,29)(H,27,32)(H,31,33)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120672
PNG
(Roche-Dataset for PDE10A, Compound 803 | US8703768...)
Show SMILES CC(C)(CO)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,11-31)30-21(33)17-15(4-3-7-25-17)29-20(32)18-19(27-14-8-23-12-24-9-14)26-10-16(28-18)13-5-6-13/h3-4,7-10,12-13,31H,5-6,11H2,1-2H3,(H,26,27)(H,29,32)(H,30,33)
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n/an/a 0.300n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120520
PNG
(US8703768, 120)
Show SMILES CC(C)(O)CNC(=O)c1cnccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)15-9-23-6-5-16(15)30-21(32)18-19(28-14-7-24-12-25-8-14)26-10-17(29-18)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,23,30,32)
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120481
PNG
(Roche-Dataset for PDE10A, Compound 503 | US8703768...)
Show SMILES OC1CN(C1)C(=O)c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H21N7O3/c30-15-10-29(11-15)22(32)16-5-6-23-9-19(16)28-21(31)20-18(26-14-7-24-12-25-8-14)4-3-17(27-20)13-1-2-13/h3-9,12-13,15,26,30H,1-2,10-11H2,(H,28,31)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120581
PNG
(Roche-Dataset for PDE10A, Compound 553 | US8703768...)
Show SMILES CCc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(n1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H28N8O3/c1-4-15-7-8-17(19(29-15)22(33)28-12-24(2,3)35)32-23(34)20-21(30-16-9-25-13-26-10-16)27-11-18(31-20)14-5-6-14/h7-11,13-14,35H,4-6,12H2,1-3H3,(H,27,30)(H,28,33)(H,32,34)
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120673
PNG
(Roche-Dataset for PDE10A, Compound 599 | US8703768...)
Show SMILES CNC(=O)c1cc(NC(C)=O)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H22N8O3/c1-12(31)27-14-5-6-17(16(7-14)21(32)23-2)30-22(33)19-20(28-15-8-24-11-25-9-15)26-10-18(29-19)13-3-4-13/h5-11,13H,3-4H2,1-2H3,(H,23,32)(H,26,28)(H,27,31)(H,30,33)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120670
PNG
(Roche-Dataset for PDE10A, Compound 852 | US8703768...)
Show SMILES OCCNC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H20N8O3/c29-7-6-24-19(30)16-14(2-1-5-23-16)28-20(31)17-18(26-13-8-21-11-22-9-13)25-10-15(27-17)12-3-4-12/h1-2,5,8-12,29H,3-4,6-7H2,(H,24,30)(H,25,26)(H,28,31)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120674
PNG
(Roche-Dataset for PDE10A, Compound 770 | US8703768...)
Show SMILES CC1(COC1)NC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H22N8O3/c1-22(10-33-11-22)30-21(32)17-15(3-2-6-25-17)29-20(31)18-19(27-14-7-23-12-24-8-14)26-9-16(28-18)13-4-5-13/h2-3,6-9,12-13H,4-5,10-11H2,1H3,(H,26,27)(H,29,31)(H,30,32)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120700
PNG
(Roche-Dataset for PDE10A, Compound 902 | US8703768...)
Show SMILES CC(C)(O)CNC(=O)c1ccc(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H24FN7O3/c1-23(2,34)11-28-21(32)16-6-5-14(24)7-17(16)31-22(33)19-20(29-15-8-25-12-26-9-15)27-10-18(30-19)13-3-4-13/h5-10,12-13,34H,3-4,11H2,1-2H3,(H,27,29)(H,28,32)(H,31,33)
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n/an/a 0.400n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120559
PNG
(US8703768, 159)
Show SMILES CC(C)(O)CNC(=O)c1nc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C1CC1
Show InChI InChI=1S/C25H28N8O3/c1-25(2,36)12-29-23(34)20-18(8-7-17(31-20)14-3-4-14)33-24(35)21-22(30-16-9-26-13-27-10-16)28-11-19(32-21)15-5-6-15/h7-11,13-15,36H,3-6,12H2,1-2H3,(H,28,30)(H,29,34)(H,33,35)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120727
PNG
(Roche-Dataset for PDE10A, Compound 481 | US8703768...)
Show SMILES CNC(=O)c1cc(CCC(O)=O)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23N7O4/c1-24-22(33)16-8-13(3-7-19(31)32)2-6-17(16)30-23(34)20-21(28-15-9-25-12-26-10-15)27-11-18(29-20)14-4-5-14/h2,6,8-12,14H,3-5,7H2,1H3,(H,24,33)(H,27,28)(H,30,34)(H,31,32)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120490
PNG
(Roche-Dataset for PDE10A, Compound 743 | US8703768...)
Show SMILES O=C(Nc1sccc1C(=O)N1CCOCC1)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H22N6O3S/c29-20(27-21-16(5-10-32-21)22(30)28-6-8-31-9-7-28)19-18(25-15-11-23-13-24-12-15)4-3-17(26-19)14-1-2-14/h3-5,10-14,25H,1-2,6-9H2,(H,27,29)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120498
PNG
(US8703768, 98)
Show SMILES CC(C)(O)CNC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)17-15(4-3-7-25-17)30-21(32)18-19(28-14-8-23-12-24-9-14)26-10-16(29-18)13-5-6-13/h3-4,7-10,12-13,33H,5-6,11H2,1-2H3,(H,26,28)(H,27,31)(H,30,32)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120489
PNG
(Roche-Dataset for PDE10A, Compound 997 | US8703768...)
Show SMILES O=C(NC1CC1)c1ccsc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H20N6O2S/c28-19(25-13-3-4-13)15-7-8-30-21(15)27-20(29)18-17(24-14-9-22-11-23-10-14)6-5-16(26-18)12-1-2-12/h5-13,24H,1-4H2,(H,25,28)(H,27,29)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120624
PNG
(Roche-Dataset for PDE10A, Compound 933 | US8703768...)
Show SMILES CNC(=O)c1cc(OC)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H21N7O3/c1-22-20(29)15-7-14(31-2)5-6-16(15)28-21(30)18-19(26-13-8-23-11-24-9-13)25-10-17(27-18)12-3-4-12/h5-12H,3-4H2,1-2H3,(H,22,29)(H,25,26)(H,28,30)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120609
PNG
(Roche-Dataset for PDE10A, Compound 539 | US8703768...)
Show SMILES COCc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(n1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C24H28N8O4/c1-24(2,35)12-28-22(33)19-17(7-6-15(29-19)11-36-3)32-23(34)20-21(30-16-8-25-13-26-9-16)27-10-18(31-20)14-4-5-14/h6-10,13-14,35H,4-5,11-12H2,1-3H3,(H,27,30)(H,28,33)(H,32,34)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120614
PNG
(Roche-Dataset for PDE10A, Compound 464 | US8703768...)
Show SMILES CC(C)(O)CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C25H29N7O5/c1-25(2,36)13-29-23(34)18-9-17(37-8-7-33)5-6-19(18)32-24(35)21-22(30-16-10-26-14-27-11-16)28-12-20(31-21)15-3-4-15/h5-6,9-12,14-15,33,36H,3-4,7-8,13H2,1-2H3,(H,28,30)(H,29,34)(H,32,35)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120680
PNG
(Roche-Dataset for PDE10A, Compound 798 | US8703768...)
Show SMILES Cc1ncc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(n1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C22H25N9O3/c1-12-25-9-16(17(28-12)20(32)27-10-22(2,3)34)31-21(33)18-19(29-14-6-23-11-24-7-14)26-8-15(30-18)13-4-5-13/h6-9,11,13,34H,4-5,10H2,1-3H3,(H,26,29)(H,27,32)(H,31,33)
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120510
PNG
(US8703768, 110)
Show SMILES CC(C)(O)CNC(=O)c1cc(F)c(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23F2N7O3/c1-23(2,35)10-29-21(33)14-5-15(24)16(25)6-17(14)32-22(34)19-20(30-13-7-26-11-27-8-13)28-9-18(31-19)12-3-4-12/h5-9,11-12,35H,3-4,10H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120720
PNG
(Roche-Dataset for PDE10A, Compound 329 | US8703768...)
Show SMILES CCOC(=O)CCc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(c1)C(=O)NC
Show InChI InChI=1S/C25H27N7O4/c1-3-36-21(33)9-5-15-4-8-19(18(10-15)24(34)26-2)32-25(35)22-23(30-17-11-27-14-28-12-17)29-13-20(31-22)16-6-7-16/h4,8,10-14,16H,3,5-7,9H2,1-2H3,(H,26,34)(H,29,30)(H,32,35)
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120691
PNG
(Roche-Dataset for PDE10A, Compound 913 | US8703768...)
Show SMILES CNC(=O)c1ccc(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H18FN7O2/c1-22-19(29)14-5-4-12(21)6-15(14)28-20(30)17-18(26-13-7-23-10-24-8-13)25-9-16(27-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,22,29)(H,25,26)(H,28,30)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120612
PNG
(Roche-Dataset for PDE10A, Compound 323 | US8703768...)
Show SMILES COCCOc1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C26H31N7O5/c1-26(2,36)14-30-24(34)19-10-18(38-9-8-37-3)6-7-20(19)33-25(35)22-23(31-17-11-27-15-28-12-17)29-13-21(32-22)16-4-5-16/h6-7,10-13,15-16,36H,4-5,8-9,14H2,1-3H3,(H,29,31)(H,30,34)(H,33,35)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120661
PNG
(Roche-Dataset for PDE10A, Compound 708 | US8703768...)
Show SMILES CC(C)(O)CNC(=O)c1cc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C#N
Show InChI InChI=1S/C24H24N8O3/c1-24(2,35)12-29-22(33)17-7-14(8-25)3-6-18(17)32-23(34)20-21(30-16-9-26-13-27-10-16)28-11-19(31-20)15-4-5-15/h3,6-7,9-11,13,15,35H,4-5,12H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
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n/an/a 0.700n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120734
PNG
(Roche-Dataset for PDE10A, Compound 740 | US8703768...)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1C(=O)N1CCCO1
Show InChI InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120711
PNG
(Roche-Dataset for PDE10A, Compound 922 | US8703768...)
Show SMILES CNC(=O)c1cc(F)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H18FN7O2/c1-22-19(29)14-6-12(21)4-5-15(14)28-20(30)17-18(26-13-7-23-10-24-8-13)25-9-16(27-17)11-2-3-11/h4-11H,2-3H2,1H3,(H,22,29)(H,25,26)(H,28,30)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120558
PNG
(US8703768, 158)
Show SMILES CNC(=O)c1nc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C1CC1
Show InChI InChI=1S/C22H22N8O2/c1-23-21(31)18-16(7-6-15(28-18)12-2-3-12)30-22(32)19-20(27-14-8-24-11-25-9-14)26-10-17(29-19)13-4-5-13/h6-13H,2-5H2,1H3,(H,23,31)(H,26,27)(H,30,32)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120615
PNG
(Roche-Dataset for PDE10A, Compound 527 | US8703768...)
Show SMILES CNC(=O)c1cc(OCCO)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H23N7O4/c1-23-21(31)16-8-15(33-7-6-30)4-5-17(16)29-22(32)19-20(27-14-9-24-12-25-10-14)26-11-18(28-19)13-2-3-13/h4-5,8-13,30H,2-3,6-7H2,1H3,(H,23,31)(H,26,27)(H,29,32)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120687
PNG
(Roche-Dataset for PDE10A, Compound 912 | US8703768...)
Show SMILES CNC(=O)c1cc(F)c(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C20H17F2N7O2/c1-23-19(30)12-4-13(21)14(22)5-15(12)29-20(31)17-18(27-11-6-24-9-25-7-11)26-8-16(28-17)10-2-3-10/h4-10H,2-3H2,1H3,(H,23,30)(H,26,27)(H,29,31)
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n/an/a 0.800n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120707
PNG
(Roche-Dataset for PDE10A, Compound 702 | US8703768...)
Show SMILES CN(C)C(=O)c1c(F)cccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H20FN7O2/c1-29(2)21(31)17-14(22)4-3-5-15(17)28-20(30)18-19(26-13-8-23-11-24-9-13)25-10-16(27-18)12-6-7-12/h3-5,8-12H,6-7H2,1-2H3,(H,25,26)(H,28,30)
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n/an/a 0.900n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120613
PNG
(Roche-Dataset for PDE10A, Compound 536 | US8703768...)
Show SMILES CNC(=O)c1cc(OCCOC)ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H25N7O4/c1-24-22(31)17-9-16(34-8-7-33-2)5-6-18(17)30-23(32)20-21(28-15-10-25-13-26-11-15)27-12-19(29-20)14-3-4-14/h5-6,9-14H,3-4,7-8H2,1-2H3,(H,24,31)(H,27,28)(H,30,32)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120701
PNG
(Roche-Dataset for PDE10A, Compound 755 | US8703768...)
Show SMILES Fc1ccc(C(=O)N2CCC2)c(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1
Show InChI InChI=1S/C22H20FN7O2/c23-14-4-5-16(22(32)30-6-1-7-30)17(8-14)29-21(31)19-20(27-15-9-24-12-25-10-15)26-11-18(28-19)13-2-3-13/h4-5,8-13H,1-3,6-7H2,(H,26,27)(H,29,31)
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n/an/a 1n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120723
PNG
(Roche-Dataset for PDE10A, Compound 756 | US8703768...)
Show SMILES CC(C)(O)CNC(=O)c1c(F)cc(F)cc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23F2N7O3/c1-23(2,35)10-29-21(33)18-15(25)5-13(24)6-16(18)32-22(34)19-20(30-14-7-26-11-27-8-14)28-9-17(31-19)12-3-4-12/h5-9,11-12,35H,3-4,10H2,1-2H3,(H,28,30)(H,29,33)(H,32,34)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120606
PNG
(Roche-Dataset for PDE10A, Compound 494 | US8703768...)
Show SMILES CC(C)c1ccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c(c1)C(=O)NCC(C)(C)O
Show InChI InChI=1S/C26H31N7O3/c1-15(2)17-7-8-20(19(9-17)24(34)30-13-26(3,4)36)33-25(35)22-23(31-18-10-27-14-28-11-18)29-12-21(32-22)16-5-6-16/h7-12,14-16,36H,5-6,13H2,1-4H3,(H,29,31)(H,30,34)(H,33,35)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120682
PNG
(US8703768, 283)
Show SMILES CC(C)(O)CNC(=O)c1c(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)cnn1CC1CCO1
Show InChI InChI=1S/C24H29N9O4/c1-24(2,36)12-28-23(35)20-18(10-29-33(20)11-16-5-6-37-16)32-22(34)19-21(30-15-7-25-13-26-8-15)27-9-17(31-19)14-3-4-14/h7-10,13-14,16,36H,3-6,11-12H2,1-2H3,(H,27,30)(H,28,35)(H,32,34)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120514
PNG
(US8703768, 114)
Show SMILES COCC(C)(C)CNC(=O)c1ccncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C24H28N8O3/c1-24(2,13-35-3)12-29-22(33)17-6-7-25-10-19(17)32-23(34)20-21(30-16-8-26-14-27-9-16)28-11-18(31-20)15-4-5-15/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,28,30)(H,29,33)(H,32,34)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120505
PNG
(US8703768, 105)
Show SMILES CC(C)(O)CNC(=O)c1ccncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C22H24N8O3/c1-22(2,33)11-27-20(31)15-5-6-23-9-17(15)30-21(32)18-19(28-14-7-24-12-25-8-14)26-10-16(29-18)13-3-4-13/h5-10,12-13,33H,3-4,11H2,1-2H3,(H,26,28)(H,27,31)(H,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120708
PNG
(Roche-Dataset for PDE10A, Compound 585 | US8703768...)
Show SMILES Fc1cccc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1C(=O)N1CCC1
Show InChI InChI=1S/C22H20FN7O2/c23-15-3-1-4-16(18(15)22(32)30-7-2-8-30)29-21(31)19-20(27-14-9-24-12-25-10-14)26-11-17(28-19)13-5-6-13/h1,3-4,9-13H,2,5-8H2,(H,26,27)(H,29,31)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120542
PNG
(US8703768, 142)
Show SMILES Cn1ncc(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)c1C(=O)NCC(C)(C)CO
Show InChI InChI=1S/C22H27N9O3/c1-22(2,11-32)10-26-21(34)18-16(9-27-31(18)3)30-20(33)17-19(28-14-6-23-12-24-7-14)25-8-15(29-17)13-4-5-13/h6-9,12-13,32H,4-5,10-11H2,1-3H3,(H,25,28)(H,26,34)(H,30,33)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120729
PNG
(US8703768, 330)
Show SMILES CC(C)(O)CNC(=O)c1ncccc1NC(=O)c1nc(ncc1Nc1cncnc1)C(C)(C)C
Show InChI InChI=1S/C23H28N8O3/c1-22(2,3)21-27-11-16(29-14-9-24-13-25-10-14)18(31-21)20(33)30-15-7-6-8-26-17(15)19(32)28-12-23(4,5)34/h6-11,13,29,34H,12H2,1-5H3,(H,28,32)(H,30,33)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120458
PNG
(Roche-Dataset for PDE10A, Compound 564 | US8703768...)
Show SMILES O=C(NC1CCC1)c1ccncc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C23H23N7O2/c31-22(28-15-2-1-3-15)17-8-9-24-12-20(17)30-23(32)21-19(27-16-10-25-13-26-11-16)7-6-18(29-21)14-4-5-14/h6-15,27H,1-5H2,(H,28,31)(H,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120497
PNG
(US8703768, 97)
Show SMILES CC(C)(O)CNC(=O)c1ncncc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H23N9O3/c1-21(2,33)9-26-19(31)16-15(7-24-11-27-16)30-20(32)17-18(28-13-5-22-10-23-6-13)25-8-14(29-17)12-3-4-12/h5-8,10-12,33H,3-4,9H2,1-2H3,(H,25,28)(H,26,31)(H,30,32)
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n/an/a 1.10n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120547
PNG
(US8703768, 147)
Show SMILES CNC(=O)c1c(NC(=O)c2nc(cnc2Nc2cncnc2)C2CC2)cnn1CCOC
Show InChI InChI=1S/C20H23N9O3/c1-21-20(31)17-15(10-25-29(17)5-6-32-2)28-19(30)16-18(26-13-7-22-11-23-8-13)24-9-14(27-16)12-3-4-12/h7-12H,3-6H2,1-2H3,(H,21,31)(H,24,26)(H,28,30)
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120412
PNG
(Roche-Dataset for PDE10A, Compound 1047 | US870376...)
Show SMILES CNC(=O)c1c(NC(=O)c2nc(ccc2Nc2cncnc2)C2CC2)cnn1CCOC
Show InChI InChI=1S/C21H24N8O3/c1-22-21(31)19-17(11-25-29(19)7-8-32-2)28-20(30)18-16(26-14-9-23-12-24-10-14)6-5-15(27-18)13-3-4-13/h5-6,9-13,26H,3-4,7-8H2,1-2H3,(H,22,31)(H,28,30)
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n/an/a 1.20n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120607
PNG
(Roche-Dataset for PDE10A, Compound 766 | US8703768...)
Show SMILES CNC(=O)c1cc(ccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1)C(C)C
Show InChI InChI=1S/C23H25N7O2/c1-13(2)15-6-7-18(17(8-15)22(31)24-3)30-23(32)20-21(28-16-9-25-12-26-10-16)27-11-19(29-20)14-4-5-14/h6-14H,4-5H2,1-3H3,(H,24,31)(H,27,28)(H,30,32)
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120429
PNG
(Roche-Dataset for PDE10A, Compound 969 | US8703768...)
Show SMILES CNC(=O)c1ccccc1NC(=O)c1nc(ccc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C21H20N6O2/c1-22-20(28)15-4-2-3-5-17(15)27-21(29)19-18(25-14-10-23-12-24-11-14)9-8-16(26-19)13-6-7-13/h2-5,8-13,25H,6-7H2,1H3,(H,22,28)(H,27,29)
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM120528
PNG
(US8703768, 128)
Show SMILES CNC(=O)c1ncccc1NC(=O)c1nc(cnc1Nc1cncnc1)C1CC1
Show InChI InChI=1S/C19H18N8O2/c1-20-18(28)15-13(3-2-6-23-15)27-19(29)16-17(25-12-7-21-10-22-8-12)24-9-14(26-16)11-4-5-11/h2-3,6-11H,4-5H2,1H3,(H,20,28)(H,24,25)(H,27,29)
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n/an/a 1.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
PDE10 activity of the compounds of the present invention was determined using a Scintillation Proximity Assay (SPA)-based method similar to the one p...

US Patent US8703768 (2014)


BindingDB Entry DOI: 10.7270/Q27P8X37
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%