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USPatent US9617271

Compile data set for download or QSAR
Found 72 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))		BDBM317168
PNG
((E)-8-Isopropoxy-2,3-dimethyl-6-(2-(1-methyl-3-(py...)
Show SMILES CC(C)Oc1cc(\C=C\c2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C20H27N7O/c1-13(2)28-17-12-16(23-27-15(4)14(3)21-19(17)27)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h8-9,12-13H,6-7,10-11H2,1-5H3/b9-8+
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n/an/a 0.493n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317193
PNG
(7-Cyclobutyl-2,3-dimethyl-6-((1-methyl-3-(pyrrolid...)
Show SMILES Cc1nc2cc(C3CCC3)c(nn2c1C)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C21H25N7/c1-14-15(2)28-20(22-14)13-17(16-7-6-8-16)18(24-28)9-10-19-23-21(25-26(19)3)27-11-4-5-12-27/h13,16H,4-8,11-12H2,1-3H3
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n/an/a 0.600n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317189
PNG
(8-Cyclobutyl-2,3-dimethyl-6-((1-methyl-3-(pyrrolid...)
Show SMILES Cc1nc2c(cc(nn2c1C)C#Cc1nc(nn1C)N1CCCC1)C1CCC1
Show InChI InChI=1S/C21H25N7/c1-14-15(2)28-20(22-14)18(16-7-6-8-16)13-17(24-28)9-10-19-23-21(25-26(19)3)27-11-4-5-12-27/h13,16H,4-8,11-12H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317159
PNG
(2,3,7-Trimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1...)
Show SMILES Cc1nc2cc(C)c(nn2c1C)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C18H21N7/c1-12-11-17-19-13(2)14(3)25(17)21-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-6,9-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317188
PNG
(8-Cyclopropyl-2,3-dimethyl-6-((1-methyl-3-(pyrroli...)
Show SMILES Cc1nc2c(cc(nn2c1C)C#Cc1nc(nn1C)N1CCCC1)C1CC1
Show InChI InChI=1S/C20H23N7/c1-13-14(2)27-19(21-13)17(15-6-7-15)12-16(23-27)8-9-18-22-20(24-25(18)3)26-10-4-5-11-26/h12,15H,4-7,10-11H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317167
PNG
(8-Isopropoxy-2,3-dimethyl-6-((1-methyl-3-(pyrrolid...)
Show SMILES CC(C)Oc1cc(nn2c(C)c(C)nc12)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C20H25N7O/c1-13(2)28-17-12-16(23-27-15(4)14(3)21-19(17)27)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h12-13H,6-7,10-11H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317182
PNG
(N,2,3-Trimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1...)
Show SMILES CNC(=O)c1cc(nn2c(C)c(C)nc12)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C19H22N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-6,9-10H2,1-4H3,(H,20,28)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317186
PNG
(8-Isopropyl-2,3-dimethyl-6-((1-methyl-3-(pyrrolidi...)
Show SMILES CC(C)c1cc(nn2c(C)c(C)nc12)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C20H25N7/c1-13(2)17-12-16(23-27-15(4)14(3)21-19(17)27)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h12-13H,6-7,10-11H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317151
PNG
((E)-8-methoxy-3-methyl-6-(2-(1-methyl-3-(pyrrolidi...)
Show SMILES COc1cc(\C=C\c2nc(nn2C)N2CCCC2)nn2c(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C18H20F3N7O/c1-11-15(18(19,20)21)23-16-13(29-3)10-12(24-28(11)16)6-7-14-22-17(25-26(14)2)27-8-4-5-9-27/h6-7,10H,4-5,8-9H2,1-3H3/b7-6+
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317180
PNG
(2-Chloro-3-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES Cc1c(Cl)nc2ccc(nn12)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C16H16ClN7/c1-11-15(17)18-14-8-6-12(20-24(11)14)5-7-13-19-16(21-22(13)2)23-9-3-4-10-23/h6,8H,3-4,9-10H2,1-2H3
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n/an/a 1.33n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317177
PNG
(N,N-Diethyl-6,7-dimethyl-2-(2-(1-methyl-3-(pyrroli...)
Show SMILES CCN(CC)c1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C20H31N9/c1-6-27(7-2)18-19-21-14(3)15(4)29(19)24-16(22-18)10-11-17-23-20(25-26(17)5)28-12-8-9-13-28/h6-13H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317196
PNG
(3,8-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1c(nc2c(C)cc(nn12)C#Cc1nc(nn1C)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N7/c1-11-10-13(24-28-12(2)15(18(19,20)21)23-16(11)28)6-7-14-22-17(25-26(14)3)27-8-4-5-9-27/h10H,4-5,8-9H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317152
PNG
(8-Methoxy-3-methyl-6-(2-(1-methyl-3-(pyrrolidin-1-...)
Show SMILES COc1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7O/c1-11-15(18(19,20)21)23-16-13(29-3)10-12(24-28(11)16)6-7-14-22-17(25-26(14)2)27-8-4-5-9-27/h10H,4-9H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317155
PNG
(4-Methoxy-6,7-dimethyl-2-(2-(1-methyl-3-(pyrrolidi...)
Show SMILES COc1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C17H24N8O/c1-11-12(2)25-15(18-11)16(26-4)19-13(21-25)7-8-14-20-17(22-23(14)3)24-9-5-6-10-24/h5-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317158
PNG
(2,3,8-trimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES Cc1nc2c(C)cc(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C18H25N7/c1-12-11-15(21-25-14(3)13(2)19-17(12)25)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317183
PNG
(N,2,3-Trimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES CNC(=O)c1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C19H26N8O/c1-12-13(2)27-17(21-12)15(18(28)20-3)11-14(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-10H2,1-4H3,(H,20,28)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317164
PNG
(N,N,6,7-Tetramethyl-2-(2-(1-methyl-3-(pyrrolidin-1...)
Show SMILES CN(C)c1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C18H27N9/c1-12-13(2)27-17(19-12)16(24(3)4)20-14(22-27)8-9-15-21-18(23-25(15)5)26-10-6-7-11-26/h6-11H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317211
PNG
(N,3-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES CNC(=O)c1cc(nn2c(C)c(nc12)C(F)(F)F)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C19H19F3N8O/c1-11-15(19(20,21)22)25-16-13(17(31)23-2)10-12(26-30(11)16)6-7-14-24-18(27-28(14)3)29-8-4-5-9-29/h10H,4-5,8-9H2,1-3H3,(H,23,31)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317195
PNG
(2,3-dimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nn2ccc(CCc3nc(nn3C)N3CCCC3)nc2c1C
Show InChI InChI=1S/C17H23N7/c1-12-13(2)20-24-11-8-14(18-16(12)24)6-7-15-19-17(21-22(15)3)23-9-4-5-10-23/h8,11H,4-7,9-10H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317190
PNG
(8-Cyclobutyl-2,3-dimethyl-6-(2-(1-methyl-3-(pyrrol...)
Show SMILES Cc1nc2c(cc(CCc3nc(nn3C)N3CCCC3)nn2c1C)C1CCC1
Show InChI InChI=1S/C21H29N7/c1-14-15(2)28-20(22-14)18(16-7-6-8-16)13-17(24-28)9-10-19-23-21(25-26(19)3)27-11-4-5-12-27/h13,16H,4-12H2,1-3H3
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n/an/a 2.30n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317207
PNG
(3-Chloro-2-methyl-6-((1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES Cc1nc2ccc(nn2c1Cl)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C16H16ClN7/c1-11-15(17)24-14(18-11)8-6-12(20-24)5-7-13-19-16(21-22(13)2)23-9-3-4-10-23/h6,8H,3-4,9-10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317192
PNG
(7-Isopropyl-2,3-dimethyl-6-((1-methyl-3-(pyrrolidi...)
Show SMILES CC(C)c1cc2nc(C)c(C)n2nc1C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C20H25N7/c1-13(2)16-12-19-21-14(3)15(4)27(19)23-17(16)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h12-13H,6-7,10-11H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317194
PNG
(2,3-Dimethyl-5-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1nn2ccc(nc2c1C)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C17H19N7/c1-12-13(2)20-24-11-8-14(18-16(12)24)6-7-15-19-17(21-22(15)3)23-9-4-5-10-23/h8,11H,4-5,9-10H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317202
PNG
(7-Methoxy-2,3-dimethyl-6-((1-methyl-3-(pyrrolidin-...)
Show SMILES COc1cc2nc(C)c(C)n2nc1C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C18H21N7O/c1-12-13(2)25-17(19-12)11-15(26-4)14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-6,9-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317191
PNG
(8-Cyclopropyl-2,3-dimethyl-6-(2-(1-methyl-3-(pyrro...)
Show SMILES Cc1nc2c(cc(CCc3nc(nn3C)N3CCCC3)nn2c1C)C1CC1
Show InChI InChI=1S/C20H27N7/c1-13-14(2)27-19(21-13)17(15-6-7-15)12-16(23-27)8-9-18-22-20(24-25(18)3)26-10-4-5-11-26/h12,15H,4-11H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317173
PNG
(N-Isopropyl-6,7-dimethyl-2-(2-(1-methyl-3-(pyrroli...)
Show SMILES CC(C)Nc1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C19H29N9/c1-12(2)20-17-18-21-13(3)14(4)28(18)24-15(22-17)8-9-16-23-19(25-26(16)5)27-10-6-7-11-27/h12H,6-11H2,1-5H3,(H,20,22,24)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317154
PNG
(8-Methoxy-2,3-dimethyl-6-(2-(1-methyl-3-(pyrrolidi...)
Show SMILES COc1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C18H25N7O/c1-12-13(2)25-17(19-12)15(26-4)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317169
PNG
(8-Isopropoxy-2,3-dimethyl-6-(2-(1-methyl-3-(pyrrol...)
Show SMILES CC(C)Oc1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C20H29N7O/c1-13(2)28-17-12-16(23-27-15(4)14(3)21-19(17)27)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h12-13H,6-11H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317204
PNG
(3-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cc1c(nc2c(OCC(F)(F)F)cc(nn12)C#Cc1nc(nn1C)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C19H17F6N7O/c1-11-15(19(23,24)25)27-16-13(33-10-18(20,21)22)9-12(28-32(11)16)5-6-14-26-17(29-30(14)2)31-7-3-4-8-31/h9H,3-4,7-8,10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317146
PNG
(3-Methyl-6-((1-methyl-5-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(N2CCCC2)n(C)n1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7/c1-11-15(17(18,19)20)22-14-8-6-12(23-27(11)14)5-7-13-21-16(25(2)24-13)26-9-3-4-10-26/h6,8H,3-4,9-10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317157
PNG
(4-Chloro-6,7-dimethyl-2-(2-(1-methyl-3-(pyrrolidin...)
Show SMILES Cc1nc2c(Cl)nc(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C16H21ClN8/c1-10-11(2)25-15(18-10)14(17)19-12(21-25)6-7-13-20-16(22-23(13)3)24-8-4-5-9-24/h4-9H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317149
PNG
(2-(Difluoromethyl)-3-methyl-6-((1-methyl-3-(pyrrol...)
Show SMILES Cc1c(nc2ccc(nn12)C#Cc1nc(nn1C)N1CCCC1)C(F)F
Show InChI InChI=1S/C17H17F2N7/c1-11-15(16(18)19)20-14-8-6-12(22-26(11)14)5-7-13-21-17(23-24(13)2)25-9-3-4-10-25/h6,8,16H,3-4,9-10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317176
PNG
(N-Ethyl-N,6,7-trimethyl-2-(2-(1-methyl-3-(pyrrolid...)
Show SMILES CCN(C)c1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C19H29N9/c1-6-25(4)17-18-20-13(2)14(3)28(18)23-15(21-17)9-10-16-22-19(24-26(16)5)27-11-7-8-12-27/h6-12H2,1-5H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317145
PNG
(3-Methyl-6-[(E)-2-(2-methyl-5-pyrrolidin-1-yl-2H-[...)
Show SMILES Cc1c(nc2ccc(\C=C\c3nc(nn3C)N3CCCC3)nn12)C#N
Show InChI InChI=1S/C17H18N8/c1-12-14(11-18)19-16-8-6-13(21-25(12)16)5-7-15-20-17(22-23(15)2)24-9-3-4-10-24/h5-8H,3-4,9-10H2,1-2H3/b7-5+
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317161
PNG
(2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2c(cc(CCc3nc(nn3C)N3CCCC3)nn2c1C)N1CCCC1
Show InChI InChI=1S/C21H30N8/c1-15-16(2)29-20(22-15)18(27-10-4-5-11-27)14-17(24-29)8-9-19-23-21(25-26(19)3)28-12-6-7-13-28/h14H,4-13H2,1-3H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317171
PNG
(2,3-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1nc2c(cc(nn2c1C)C#Cc1nc(nn1C)N1CCCC1)S(C)(=O)=O
Show InChI InChI=1S/C18H21N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-6,9-10H2,1-4H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317206
PNG
(2-Chloro-3-methyl-6-(2-(1-methyl-3-(pyrrolidin-1-y...)
Show SMILES Cc1c(Cl)nc2ccc(CCc3nc(nn3C)N3CCCC3)nn12
Show InChI InChI=1S/C16H20ClN7/c1-11-15(17)18-14-8-6-12(20-24(11)14)5-7-13-19-16(21-22(13)2)23-9-3-4-10-23/h6,8H,3-5,7,9-10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317174
PNG
(N-Ethyl-6,7-dimethyl-2-(2-(1-methyl-3-(pyrrolidin-...)
Show SMILES CCNc1nc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C18H27N9/c1-5-19-16-17-20-12(2)13(3)27(17)23-14(21-16)8-9-15-22-18(24-25(15)4)26-10-6-7-11-26/h5-11H2,1-4H3,(H,19,21,23)
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317166
PNG
(2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2c3CCCCc3c(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C21H29N7/c1-14-15(2)28-20(22-14)17-9-5-4-8-16(17)18(24-28)10-11-19-23-21(25-26(19)3)27-12-6-7-13-27/h4-13H2,1-3H3
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n/an/a 6n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317201
PNG
(2,3,6-Trimethyl-5-((1-methyl-3-(pyrrolidin-1-yl)-1...)
Show SMILES Cc1nn2cc(C)c(nc2c1C)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C18H21N7/c1-12-11-25-17(13(2)14(3)21-25)19-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-6,9-10H2,1-4H3
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n/an/a 6.60n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317150
PNG
(2-(Difluoromethyl)-3-methyl-6-(2-(1-methyl-3-(pyrr...)
Show SMILES Cc1c(nc2ccc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)F
Show InChI InChI=1S/C17H21F2N7/c1-11-15(16(18)19)20-14-8-6-12(22-26(11)14)5-7-13-21-17(23-24(13)2)25-9-3-4-10-25/h6,8,16H,3-5,7,9-10H2,1-2H3
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n/an/a 8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317213
PNG
(3-Methyl-5-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-tr...)
Show SMILES Cc1c(nn2ccc(nc12)C#Cc1nc(nn1C)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C17H16F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-4,8-9H2,1-2H3
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n/an/a 8.70n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317187
PNG
(8-Isopropyl-2,3-dimethyl-6-(2-(1-methyl-3-(pyrroli...)
Show SMILES CC(C)c1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(C)nc12
Show InChI InChI=1S/C20H29N7/c1-13(2)17-12-16(23-27-15(4)14(3)21-19(17)27)8-9-18-22-20(24-25(18)5)26-10-6-7-11-26/h12-13H,6-11H2,1-5H3
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n/an/a 9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317205
PNG
(3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1c(nc2c(OCC(F)(F)F)cc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F
Show InChI InChI=1S/C19H21F6N7O/c1-11-15(19(23,24)25)27-16-13(33-10-18(20,21)22)9-12(28-32(11)16)5-6-14-26-17(29-30(14)2)31-7-3-4-8-31/h9H,3-8,10H2,1-2H3
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n/an/a 9.40n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317209
PNG
(2-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cc1cn2nc(ccc2n1)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C16H17N7/c1-12-11-23-15(17-12)8-6-13(19-23)5-7-14-18-16(20-21(14)2)22-9-3-4-10-22/h6,8,11H,3-4,9-10H2,1-2H3
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n/an/a 10.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317142
PNG
(2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2ccc(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C17H23N7/c1-12-13(2)24-16(18-12)9-7-14(20-24)6-8-15-19-17(21-22(15)3)23-10-4-5-11-23/h7,9H,4-6,8,10-11H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317184
PNG
(2,3-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1nc2cc(c(nn2c1C)C#Cc1nc(nn1C)N1CCCC1)C(F)(F)F
Show InChI InChI=1S/C18H18F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-5,8-9H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317162
PNG
(4-Chloro-6,7-dimethyl-2-(2-(1-methyl-5-(pyrrolidin...)
Show SMILES Cc1nc2c(Cl)nc(CCc3nc(N4CCCC4)n(C)n3)nn2c1C
Show InChI InChI=1S/C16H21ClN8/c1-10-11(2)25-15(18-10)14(17)19-12(22-25)6-7-13-20-16(23(3)21-13)24-8-4-5-9-24/h4-9H2,1-3H3
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n/an/a 11n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317138
PNG
(3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1c(nc2ccc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)21-14-8-6-12(23-27(11)14)5-7-13-22-16(24-25(13)2)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3
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n/an/a 12n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317212
PNG
(N,3-dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES CNC(=O)c1cc(CCc2nc(nn2C)N2CCCC2)nn2c(C)c(nc12)C(F)(F)F
Show InChI InChI=1S/C19H23F3N8O/c1-11-15(19(20,21)22)25-16-13(17(31)23-2)10-12(26-30(11)16)6-7-14-24-18(27-28(14)3)29-8-4-5-9-29/h10H,4-9H2,1-3H3,(H,23,31)
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n/an/a 13.7n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317208
PNG
(3-Chloro-2-methyl-6-(2-(1-methyl-3-(pyrrolidin-1-y...)
Show SMILES Cc1nc2ccc(CCc3nc(nn3C)N3CCCC3)nn2c1Cl
Show InChI InChI=1S/C16H20ClN7/c1-11-15(17)24-14(18-11)8-6-12(20-24)5-7-13-19-16(21-22(13)2)23-9-3-4-10-23/h6,8H,3-5,7,9-10H2,1-2H3
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n/an/a 14.5n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317197
PNG
(3,8-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1c(nc2c(C)cc(CCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7/c1-11-10-13(24-28-12(2)15(18(19,20)21)23-16(11)28)6-7-14-22-17(25-26(14)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3
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n/an/a 16.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317148
PNG
(3-Methyl-6-(2-(1-methyl-5-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1c(nc2ccc(CCc3nc(N4CCCC4)n(C)n3)nn12)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7/c1-11-15(17(18,19)20)22-14-8-6-12(23-27(11)14)5-7-13-21-16(25(2)24-13)26-9-3-4-10-26/h6,8H,3-5,7,9-10H2,1-2H3
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n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317200
PNG
(7-Cyclohexyl-2,3-dimethyl-6-(2-(1-methyl-3-(pyrrol...)
Show SMILES Cc1nc2cc(C3CCCCC3)c(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C23H33N7/c1-16-17(2)30-22(24-16)15-19(18-9-5-4-6-10-18)20(26-30)11-12-21-25-23(27-28(21)3)29-13-7-8-14-29/h15,18H,4-14H2,1-3H3
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n/an/a 19.8n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317147
PNG
(3-Methyl-6-[2-(2-methyl-5-pyrrolidin-1-yl-2H-[1,2,...)
Show SMILES Cc1c(nc2ccc(CCc3nc(nn3C)N3CCCC3)nn12)C#N
Show InChI InChI=1S/C17H20N8/c1-12-14(11-18)19-16-8-6-13(21-25(12)16)5-7-15-20-17(22-23(15)2)24-9-3-4-10-24/h6,8H,3-5,7,9-10H2,1-2H3
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n/an/a 21n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317214
PNG
(3-methyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1c(nn2ccc(CCc3nc(nn3C)N3CCCC3)nc12)C(F)(F)F
Show InChI InChI=1S/C17H20F3N7/c1-11-14(17(18,19)20)23-27-10-7-12(21-15(11)27)5-6-13-22-16(24-25(13)2)26-8-3-4-9-26/h7,10H,3-6,8-9H2,1-2H3
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n/an/a 32.9n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317198
PNG
(3-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cc1nnc2ccc(nn12)C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C15H16N8/c1-11-17-18-14-8-6-12(19-23(11)14)5-7-13-16-15(20-21(13)2)22-9-3-4-10-22/h6,8H,3-4,9-10H2,1-2H3
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n/an/a 38.2n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317175
PNG
(2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2c(cc(CCc3nc(nn3C)N3CCCC3)nn2c1C)S(C)(=O)=O
Show InChI InChI=1S/C18H25N7O2S/c1-12-13(2)25-17(19-12)15(28(4,26)27)11-14(21-25)7-8-16-20-18(22-23(16)3)24-9-5-6-10-24/h11H,5-10H2,1-4H3
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n/an/a 41n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317156
PNG
(5-[2-(2-Methyl-5-pyrrolidin-1-yl-2H-[1,2,4]triazol...)
Show SMILES Cn1nc(nc1CCc1ccc2nc3CCCc3n2n1)N1CCCC1
Show InChI InChI=1S/C18H23N7/c1-23-16(20-18(22-23)24-11-2-3-12-24)9-7-13-8-10-17-19-14-5-4-6-15(14)25(17)21-13/h8,10H,2-7,9,11-12H2,1H3
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n/an/a 41n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317178
PNG
(2-Chloro-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cn1nc(nc1C#Cc1ccc2nc(Cl)cn2n1)N1CCCC1
Show InChI InChI=1S/C15H14ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)6-4-11-5-7-14-17-12(16)10-23(14)19-11/h5,7,10H,2-3,8-9H2,1H3
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n/an/a 56n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317203
PNG
(2,3,6-Trimethyl-5-(2-(1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES Cc1nn2cc(C)c(CCc3nc(nn3C)N3CCCC3)nc2c1C
Show InChI InChI=1S/C18H25N7/c1-12-11-25-17(13(2)14(3)21-25)19-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3
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n/an/a 76n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317172
PNG
(2,3-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1nc2ccc(OCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C16H21N7O/c1-11-12(2)23-13(17-11)6-7-15(19-23)24-10-14-18-16(20-21(14)3)22-8-4-5-9-22/h6-7H,4-5,8-10H2,1-3H3
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n/an/a 98n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317210
PNG
(2-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1cn2nc(CCc3nc(nn3C)N3CCCC3)ccc2n1
Show InChI InChI=1S/C16H21N7/c1-12-11-23-15(17-12)8-6-13(19-23)5-7-14-18-16(20-21(14)2)22-9-3-4-10-22/h6,8,11H,3-5,7,9-10H2,1-2H3
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n/an/a 146n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317185
PNG
(2,3-Dimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2cc(c(CCc3nc(nn3C)N3CCCC3)nn2c1C)C(F)(F)F
Show InChI InChI=1S/C18H22F3N7/c1-11-12(2)28-16(22-11)10-13(18(19,20)21)14(24-28)6-7-15-23-17(25-26(15)3)27-8-4-5-9-27/h10H,4-9H2,1-3H3
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n/an/a 165n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317163
PNG
((2-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,...)
Show SMILES Cc1nc2ccc(CCc3nc(nn3C)N3CCCC3)nn2c1CO
Show InChI InChI=1S/C17H23N7O/c1-12-14(11-25)24-16(18-12)8-6-13(20-24)5-7-15-19-17(21-22(15)2)23-9-3-4-10-23/h6,8,25H,3-5,7,9-11H2,1-2H3
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n/an/a 194n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317160
PNG
(2,3,7-Trimethyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)...)
Show SMILES Cc1nc2cc(C)c(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C18H25N7/c1-12-11-17-19-13(2)14(3)25(17)21-15(12)7-8-16-20-18(22-23(16)4)24-9-5-6-10-24/h11H,5-10H2,1-4H3
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n/an/a 195n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317153
PNG
(6,7-Dimethyl-2-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H...)
Show SMILES Cc1nc2c(O)nc(CCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C16H22N8O/c1-10-11(2)24-14(17-10)15(25)18-12(20-24)6-7-13-19-16(21-22(13)3)23-8-4-5-9-23/h4-9H2,1-3H3,(H,18,20,25)
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n/an/a 225n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317165
PNG
(3-Methyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1,2,4...)
Show SMILES Cc1c(nc2ccc(OCc3nc(nn3C)N3CCCC3)nn12)C(F)(F)F
Show InChI InChI=1S/C16H18F3N7O/c1-10-14(16(17,18)19)20-11-5-6-13(22-26(10)11)27-9-12-21-15(23-24(12)2)25-7-3-4-8-25/h5-6H,3-4,7-9H2,1-2H3
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n/an/a 290n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317179
PNG
(2-Chloro-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cn1nc(nc1CCc1ccc2nc(Cl)cn2n1)N1CCCC1
Show InChI InChI=1S/C15H18ClN7/c1-21-13(18-15(20-21)22-8-2-3-9-22)6-4-11-5-7-14-17-12(16)10-23(14)19-11/h5,7,10H,2-4,6,8-9H2,1H3
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n/an/a 338n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317199
PNG
(3-Methyl-6-(2-(1-methyl-3-(pyrrolidin-1-yl)-1H-1,2...)
Show SMILES Cc1nnc2ccc(CCc3nc(nn3C)N3CCCC3)nn12
Show InChI InChI=1S/C15H20N8/c1-11-17-18-14-8-6-12(19-23(11)14)5-7-13-16-15(20-21(13)2)22-9-3-4-10-22/h6,8H,3-5,7,9-10H2,1-2H3
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Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317170
PNG
(2,3-Dimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1H-1...)
Show SMILES Cc1nc2ccc(SCc3nc(nn3C)N3CCCC3)nn2c1C
Show InChI InChI=1S/C16H21N7S/c1-11-12(2)23-13(17-11)6-7-15(19-23)24-10-14-18-16(20-21(14)3)22-8-4-5-9-22/h6-7H,4-5,8-10H2,1-3H3
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n/an/a 568n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM317181
PNG
(N,2,3-Trimethyl-6-((1-methyl-3-(pyrrolidin-1-yl)-1...)
Show SMILES CNC(=O)c1cc2nc(C)c(C)n2nc1C#Cc1nc(nn1C)N1CCCC1
Show InChI InChI=1S/C19H22N8O/c1-12-13(2)27-17(21-12)11-14(18(28)20-3)15(23-27)7-8-16-22-19(24-25(16)4)26-9-5-6-10-26/h11H,5-6,9-10H2,1-4H3,(H,20,28)
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n/an/a 1.40E+3n/an/an/an/an/an/a



Hoffmann-La Roche Inc.

US Patent


Assay Description
The human PDE10A full length assay was performed in 96-well micro titer plates. The reaction mixture of 50 μl contained 20 mM HEPES pH=7.5/10 mM...

US Patent US9617271 (2017)


BindingDB Entry DOI: 10.7270/Q2N58PFC
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%