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Patent code US9062059

Compile Data Set for Download or QSAR
Found 20 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))		BDBM163726
PNG
(US9062059, 2-27)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(C)n2)s1 |r|
Show InChI InChI=1S/C21H21N7OS/c1-12-24-19(23-10-21-28-27-13(2)30-21)9-20(25-12)29-11-14-8-15(14)16-5-6-17-18(26-16)4-3-7-22-17/h3-7,9,14-15H,8,10-11H2,1-2H3,(H,23,24,25)/t14-,15+/m1/s1
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 0.0200n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163722
PNG
(US9062059, 1-2)
Show SMILES Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Show InChI InChI=1S/C19H22N6O/c1-13-23-18(21-9-14-10-22-25(2)11-14)8-19(24-13)26-12-15-7-16(15)17-5-3-4-6-20-17/h3-6,8,10-11,15-16H,7,9,12H2,1-2H3,(H,21,23,24)/t15-,16+/m1/s1
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 0.0300n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163741
PNG
(US9062059, 2-3)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1 |r|
Show InChI InChI=1S/C20H24N6O/c1-13-4-5-18(21-8-13)17-6-16(17)12-27-20-7-19(24-14(2)25-20)22-9-15-10-23-26(3)11-15/h4-5,7-8,10-11,16-17H,6,9,12H2,1-3H3,(H,22,24,25)/t16-,17+/m1/s1
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 0.0400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163729
PNG
(US9062059, 2-53)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2nnc(C)s2)nc(N)n1 |r|
Show InChI InChI=1S/C18H21N7O2S/c1-10-24-25-17(28-10)8-21-15-6-16(23-18(19)22-15)27-9-11-5-13(11)14-4-3-12(26-2)7-20-14/h3-4,6-7,11,13H,5,8-9H2,1-2H3,(H3,19,21,22,23)/t11-,13+/m1/s1
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 0.0500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163737
PNG
(US9062059, 9-2)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(cn3)C3CC3)nc(C)n2)s1 |r|
Show InChI InChI=1S/C21H24N6OS/c1-12-24-19(23-10-21-27-26-13(2)29-21)8-20(25-12)28-11-16-7-17(16)18-6-5-15(9-22-18)14-3-4-14/h5-6,8-9,14,16-17H,3-4,7,10-11H2,1-2H3,(H,23,24,25)/t16-,17+/m1/s1
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 0.0800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163735
PNG
(US9062059, 3-25)
Show SMILES Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)c2F)s1 |r|
Show InChI InChI=1S/C20H22FN7OS/c1-10-27-28-16(30-10)8-23-18-17(21)19(26-20(22)25-18)29-9-12-7-13(12)15-6-5-11-3-2-4-14(11)24-15/h5-6,12-13H,2-4,7-9H2,1H3,(H3,22,23,25,26)/t12-,13+/m1/s1
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 0.0900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163733
PNG
(US9062059, 3-13)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nc(N)nc(NCc2nnc(C)s2)c1F |r|
Show InChI InChI=1S/C18H20FN7O2S/c1-9-25-26-14(29-9)7-22-16-15(19)17(24-18(20)23-16)28-8-10-5-12(10)13-4-3-11(27-2)6-21-13/h3-4,6,10,12H,5,7-8H2,1-2H3,(H3,20,22,23,24)/t10-,12+/m1/s1
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 0.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163723
PNG
(US9062059, 2-4)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nc(C)n2)n(C)n1 |r|
Show InChI InChI=1S/C24H26N6O/c1-15-10-19(30(3)29-15)13-25-23-12-24(27-16(2)26-23)31-14-18-11-20(18)22-9-8-17-6-4-5-7-21(17)28-22/h4-10,12,18,20H,11,13-14H2,1-3H3,(H,25,26,27)/t18-,20+/m1/s1
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 0.600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163736
PNG
(US9062059, 8-8)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(cn3)-c3cccnc3)nc(C)n2)s1 |r|
Show InChI InChI=1S/C23H23N7OS/c1-14-27-21(26-12-23-30-29-15(2)32-23)9-22(28-14)31-13-18-8-19(18)20-6-5-17(11-25-20)16-4-3-7-24-10-16/h3-7,9-11,18-19H,8,12-13H2,1-2H3,(H,26,27,28)/t18-,19+/m1/s1
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 1n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163738
PNG
(US9062059, 12-2)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(C)n2)no1 |r|
Show InChI InChI=1S/C19H21N5O2/c1-12-7-15(24-26-12)10-21-18-9-19(23-13(2)22-18)25-11-14-8-16(14)17-5-3-4-6-20-17/h3-7,9,14,16H,8,10-11H2,1-2H3,(H,21,22,23)/t14-,16+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163731
PNG
(US9062059, 3-8)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(CF)n2)s1 |r|
Show InChI InChI=1S/C18H19FN6OS/c1-11-24-25-18(27-11)9-21-15-7-17(23-16(8-19)22-15)26-10-12-6-13(12)14-4-2-3-5-20-14/h2-5,7,12-13H,6,8-10H2,1H3,(H,21,22,23)/t12-,13+/m1/s1
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 1.10n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163740
PNG
(US9062059, 16-4)
Show SMILES Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)c2C#N)s1 |r|
Show InChI InChI=1S/C19H20N8OS/c1-10-3-4-15(22-7-10)13-5-12(13)9-28-18-14(6-20)17(24-19(21)25-18)23-8-16-27-26-11(2)29-16/h3-4,7,12-13H,5,8-9H2,1-2H3,(H3,21,23,24,25)/t12-,13+/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163732
PNG
(US9062059, 3-11)
Show SMILES Cc1nc(C)c(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nc(n2)C2CC2)s1 |r|
Show InChI InChI=1S/C22H25N5OS/c1-13-19(29-14(2)25-13)11-24-20-10-21(27-22(26-20)15-6-7-15)28-12-16-9-17(16)18-5-3-4-8-23-18/h3-5,8,10,15-17H,6-7,9,11-12H2,1-2H3,(H,24,26,27)/t16-,17+/m1/s1
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 1.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163725
PNG
(US9062059, 2-17)
Show SMILES Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccc(cn2)C(F)F)n1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-12-26-18(24-7-13-8-25-28(2)10-13)6-19(27-12)29-11-15-5-16(15)17-4-3-14(9-23-17)20(21)22/h3-4,6,8-10,15-16,20H,5,7,11H2,1-2H3,(H,24,26,27)/t15-,16+/m1/s1
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 3.5n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163724
PNG
(US9062059, 2-14)
Show SMILES COc1cccnc1[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)nc(C)n1 |r|
Show InChI InChI=1S/C20H24N6O2/c1-13-24-18(22-9-14-10-23-26(2)11-14)8-19(25-13)28-12-15-7-16(15)20-17(27-3)5-4-6-21-20/h4-6,8,10-11,15-16H,7,9,12H2,1-3H3,(H,22,24,25)/t15-,16+/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163734
PNG
(US9062059, 3-19)
Show SMILES Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)c2F)s1 |r|
Show InChI InChI=1S/C17H17ClFN7OS/c1-8-25-26-13(28-8)6-22-15-14(19)16(24-17(20)23-15)27-7-9-4-11(9)12-3-2-10(18)5-21-12/h2-3,5,9,11H,4,6-7H2,1H3,(H3,20,22,23,24)/t9-,11+/m1/s1
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 3.60n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163727
PNG
(US9062059, 2-37)
Show SMILES Cc1nc(NCc2nnc(s2)C2CC2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Show InChI InChI=1S/C20H22N6OS/c1-12-23-17(22-10-19-25-26-20(28-19)13-5-6-13)9-18(24-12)27-11-14-8-15(14)16-4-2-3-7-21-16/h2-4,7,9,13-15H,5-6,8,10-11H2,1H3,(H,22,23,24)/t14-,15+/m1/s1
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 3.80n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163730
PNG
(US9062059, 2-58)
Show SMILES Cc1nnc(CNc2nc(C)nc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)c2Cl)s1 |r|
Show InChI InChI=1S/C19H21ClN6OS/c1-10-4-5-15(21-7-10)14-6-13(14)9-27-19-17(20)18(23-11(2)24-19)22-8-16-26-25-12(3)28-16/h4-5,7,13-14H,6,8-9H2,1-3H3,(H,22,23,24)/t13-,14+/m1/s1
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 3.90n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163739
PNG
(US9062059, 14-3)
Show SMILES Cc1nc(NCc2ccncc2C)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Show InChI InChI=1S/C21H23N5O/c1-14-11-22-8-6-16(14)12-24-20-10-21(26-15(2)25-20)27-13-17-9-18(17)19-5-3-4-7-23-19/h3-8,10-11,17-18H,9,12-13H2,1-2H3,(H,24,25,26)/t17-,18+/m1/s1
PDB
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US Patent
 5.30n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM163728
PNG
(US9062059, 2-47)
Show SMILES Cc1nc(C)c(CNc2nc(C)nc(OC[C@H]3C[C@@H]3c3ccccn3)c2C)s1 |r|
Show InChI InChI=1S/C21H25N5OS/c1-12-20(23-10-19-13(2)24-15(4)28-19)25-14(3)26-21(12)27-11-16-9-17(16)18-7-5-6-8-22-18/h5-8,16-17H,9-11H2,1-4H3,(H,23,25,26)/t16-,17+/m1/s1
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Similars
US Patent
 41.7n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
PDE10A2 was amplified from human fetal brain cDNA (Clontech, Mountain View, Calif.) using a forward primer corresponding to nucleotides 56-77 of huma...

US Patent US9062059 (2015)


BindingDB Entry DOI: 10.7270/Q29022J5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%