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Compile Data Set for Download or QSAR

Found 9078 hits of affinity data for UniProtKB/TrEMBL: Q9Y233   
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))		BDBM126829
PNG
(US8785467, 1-38)
Show SMILES Cc1nc(C)c(CNc2nc(OC[C@@H]3C[C@H]3c3ccc4ccccc4n3)nc(Cl)c2C)s1 |r|
Show InChI InChI=1S/C24H24ClN5OS/c1-13-22(25)29-24(30-23(13)26-11-21-14(2)27-15(3)32-21)31-12-17-10-18(17)20-9-8-16-6-4-5-7-19(16)28-20/h4-9,17-18H,10-12H2,1-3H3,(H,26,29,30)/t17-,18+/m0/s1
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 0.000600n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8785467 (2014)


BindingDB Entry DOI: 10.7270/Q2VT1QS1
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234715
PNG
(US9353104, 3)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C22H22N6O2S/c1-13-25-26-21(31-13)11-23-19-10-20(27-28(2)22(19)29)30-12-15-9-16(15)18-8-7-14-5-3-4-6-17(14)24-18/h3-8,10,15-16,23H,9,11-12H2,1-2H3/t15-,16+/m1/s1
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 0.00100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234817
PNG
(US9353104, 121)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)nn(C)c2=O)n(C)n1 |r|
Show InChI InChI=1S/C23H28N6O2/c1-14-9-17(28(2)26-14)12-24-21-11-22(27-29(3)23(21)30)31-13-16-10-18(16)20-8-7-15-5-4-6-19(15)25-20/h7-9,11,16,18,24H,4-6,10,12-13H2,1-3H3/t16-,18+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234819
PNG
(US9353104, 124)
Show SMILES Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C22H25N5O2S/c1-13-10-24-21(30-13)11-23-19-9-20(26-27(2)22(19)28)29-12-15-8-16(15)18-7-6-14-4-3-5-17(14)25-18/h6-7,9-10,15-16,23H,3-5,8,11-12H2,1-2H3/t15-,16+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234818
PNG
(US9353104, 123)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C21H24N6O2S/c1-12-24-25-20(30-12)10-22-18-9-19(26-27(2)21(18)28)29-11-14-8-15(14)17-7-6-13-4-3-5-16(13)23-17/h6-7,9,14-15,22H,3-5,8,10-11H2,1-2H3/t14-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234762
PNG
(US9353104, 56)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)nn(C)c2=O)c(C)n1 |r|
Show InChI InChI=1S/C25H29N5O2/c1-15-7-8-18(16(2)27-15)13-26-23-12-24(29-30(3)25(23)31)32-14-19-11-20(19)22-10-9-17-5-4-6-21(17)28-22/h7-10,12,19-20,26H,4-6,11,13-14H2,1-3H3/t19-,20+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194104
PNG
(US9200001, 18)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(\C=C\c3ccc4ccccc4n3)nc(C)n2)cc1OC
Show InChI InChI=1S/C28H26N6O2/c1-18-29-23(13-12-22-11-10-21-7-5-6-8-24(21)32-22)17-28(30-18)34-27(31-19(2)33-34)16-20-9-14-25(35-3)26(15-20)36-4/h5-15,17H,16H2,1-4H3/b13-12+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194105
PNG
(US9200001, 19)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(\C=C\c3ccccn3)nc(C)n2)cc1OC
Show InChI InChI=1S/C24H24N6O2/c1-16-26-20(10-9-19-7-5-6-12-25-19)15-24(27-16)30-23(28-17(2)29-30)14-18-8-11-21(31-3)22(13-18)32-4/h5-13,15H,14H2,1-4H3/b10-9+
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM149478
PNG
(US8975261, I-46)
Show SMILES Cc1nn(C)c(C)c1-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r,wU:17.18,wD:19.22,(-.31,2.36,;1.02,3.13,;2.49,2.65,;3.39,3.9,;4.73,4.67,;2.49,5.14,;3.26,6.48,;1.02,4.67,;-.31,5.44,;-.31,6.98,;-1.65,7.75,;-2.98,6.98,;-4.31,7.75,;-2.98,5.44,;-1.65,4.67,;-1.65,3.13,;-2.42,1.79,;-1.65,.46,;-.31,-.31,;-1.65,-1.08,;-2.42,-2.41,;-3.96,-2.41,;-4.73,-3.75,;-3.96,-5.08,;-4.73,-6.41,;-3.96,-7.75,;-2.42,-7.75,;-1.65,-6.41,;-2.42,-5.08,;-1.65,-3.75,)|
Show InChI InChI=1S/C24H25N5O/c1-14-23(15(2)29(4)28-14)20-12-25-16(3)26-24(20)30-13-18-11-19(18)22-10-9-17-7-5-6-8-21(17)27-22/h5-10,12,18-19H,11,13H2,1-4H3/t18-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exper...

US Patent US8975261 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P5F
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234827
PNG
(US9353104, 132)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cc(C)nn2C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C21H26N6O3/c1-13-7-15(26(2)24-13)10-22-19-9-20(25-27(3)21(19)28)30-12-14-8-17(14)18-6-5-16(29-4)11-23-18/h5-7,9,11,14,17,22H,8,10,12H2,1-4H3/t14-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194113
PNG
(US9200001, 28)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2nc3ccccc3n2C)cc1OC
Show InChI InChI=1S/C28H29N7O2/c1-16-29-22(19-14-20(19)28-32-21-8-6-7-9-23(21)34(28)3)15-27(30-16)35-26(31-17(2)33-35)13-18-10-11-24(36-4)25(12-18)37-5/h6-12,15,19-20H,13-14H2,1-5H3
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234756
PNG
(US9353104, 50)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nc2C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C23H27N5O3/c1-14-5-6-16(15(2)26-14)11-24-21-10-22(27-28(3)23(21)29)31-13-17-9-19(17)20-8-7-18(30-4)12-25-20/h5-8,10,12,17,19,24H,9,11,13H2,1-4H3/t17-,19+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234726
PNG
(US9353104, 14)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1 |r|
Show InChI InChI=1S/C21H26N6O2/c1-13-5-6-18(22-10-13)17-8-15(17)12-29-20-9-19(21(28)27(4)25-20)23-11-16-7-14(2)24-26(16)3/h5-7,9-10,15,17,23H,8,11-12H2,1-4H3/t15-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM126842
PNG
(US8785467, 1-51)
Show SMILES Cc1cc(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)nc(Cl)c2C)n(C)n1 |r|
Show InChI InChI=1S/C23H24ClN7O/c1-13-9-16(31(3)30-13)11-26-22-14(2)21(24)28-23(29-22)32-12-15-10-17(15)18-6-7-19-20(27-18)5-4-8-25-19/h4-9,15,17H,10-12H2,1-3H3,(H,26,28,29)/t15-,17+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8785467 (2014)


BindingDB Entry DOI: 10.7270/Q2VT1QS1
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234836
PNG
(US9353104, 141)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nn(C)c(=O)c(NCc2nnc(C)s2)c1Cl |r|
Show InChI InChI=1S/C19H21ClN6O3S/c1-10-23-24-15(30-10)8-22-17-16(20)18(25-26(2)19(17)27)29-9-11-6-13(11)14-5-4-12(28-3)7-21-14/h4-5,7,11,13,22H,6,8-9H2,1-3H3/t11-,13+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234835
PNG
(US9353104, 140)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1nn(C)c(=O)c(NCc2nnc(C)s2)c1Br |r|
Show InChI InChI=1S/C19H21BrN6O3S/c1-10-23-24-15(30-10)8-22-17-16(20)18(25-26(2)19(17)27)29-9-11-6-13(11)14-5-4-12(28-3)7-21-14/h4-5,7,11,13,22H,6,8-9H2,1-3H3/t11-,13+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234825
PNG
(US9353104, 130)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ncc(C)s2)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C20H23N5O3S/c1-12-8-23-19(29-12)10-22-17-7-18(24-25(2)20(17)26)28-11-13-6-15(13)16-5-4-14(27-3)9-21-16/h4-5,7-9,13,15,22H,6,10-11H2,1-3H3/t13-,15+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234763
PNG
(US9353104, 57)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4ccccc4n3)nn(C)c2=O)c(C)n1 |r|
Show InChI InChI=1S/C26H27N5O2/c1-16-8-9-19(17(2)28-16)14-27-24-13-25(30-31(3)26(24)32)33-15-20-12-21(20)23-11-10-18-6-4-5-7-22(18)29-23/h4-11,13,20-21,27H,12,14-15H2,1-3H3/t20-,21+/m1/s1
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Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194090
PNG
(US9200001, 3)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)cc1OC
Show InChI InChI=1S/C28H28N6O2/c1-18-29-23(13-12-22-11-10-21-7-5-6-8-24(21)32-22)17-28(30-18)34-27(31-19(2)33-34)16-20-9-14-25(35-3)26(15-20)36-4/h5-11,14-15,17H,12-13,16H2,1-4H3
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 0.00400n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM209756
PNG
(US9273033, 56)
Show SMILES COc1cc(cn(C)c1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C25H24N4O3/c1-15-26-12-20(17-11-23(31-3)25(30)29(2)13-17)24(27-15)32-14-18-10-19(18)22-9-8-16-6-4-5-7-21(16)28-22/h4-9,11-13,18-19H,10,14H2,1-3H3/t18-,19+/m1/s1
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 0.00400 -65.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...

US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234820
PNG
(US9353104, 125)
Show SMILES Cn1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)nn(C)c2=O)cn1 |r|
Show InChI InChI=1S/C22H26N6O2/c1-27-12-14(11-24-27)10-23-20-9-21(26-28(2)22(20)29)30-13-16-8-17(16)19-7-6-15-4-3-5-18(15)25-19/h6-7,9,11-12,16-17,23H,3-5,8,10,13H2,1-2H3/t16-,17+/m1/s1
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 0.00500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194223
PNG
(US9200001, 26)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)[C@@H]2C[C@H]2c2nc3ccccc3[nH]2)cc1OC |r|
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 0.00500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234812
PNG
(US9353104, 116)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3cccc(C)n3)nn(C)c2=O)n(C)n1 |r|
Show InChI InChI=1S/C21H26N6O2/c1-13-6-5-7-18(23-13)17-9-15(17)12-29-20-10-19(21(28)27(4)25-20)22-11-16-8-14(2)24-26(16)3/h5-8,10,15,17,22H,9,11-12H2,1-4H3/t15-,17+/m1/s1
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 0.00500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194122
PNG
(US9200001, 38)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2nc3ccccc3[nH]2)cc1OC
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 0.00500n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50500526
PNG
(CHEMBL3747517)
Show SMILES Cc1nc(C)c(CNc2nc(OCC3CC3c3cc4ccccn4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C22H23ClN6OS/c1-12-20(23)26-22(27-21(12)24-10-19-13(2)25-14(3)31-19)30-11-15-8-17(15)18-9-16-6-4-5-7-29(16)28-18/h4-7,9,15,17H,8,10-11H2,1-3H3,(H,24,26,27)
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 0.00600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin) by IMAP assay

Bioorg Med Chem Lett 26: 126-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.013
BindingDB Entry DOI: 10.7270/Q2NP27FW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM209736
PNG
(US9273033, 34)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccc(=O)n(C)c1C |r|
Show InChI InChI=1S/C25H24N4O2/c1-15-19(9-11-24(30)29(15)3)21-13-26-16(2)27-25(21)31-14-18-12-20(18)23-10-8-17-6-4-5-7-22(17)28-23/h4-11,13,18,20H,12,14H2,1-3H3/t18-,20+/m1/s1
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 0.00600 -64.1n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...

US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234743
PNG
(US9353104, 31)
Show SMILES Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C20H23N5O2S/c1-12-4-5-16(21-8-12)15-6-14(15)11-27-18-7-17(20(26)25(3)24-18)22-10-19-23-9-13(2)28-19/h4-5,7-9,14-15,22H,6,10-11H2,1-3H3/t14-,15+/m1/s1
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 0.00700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234758
PNG
(US9353104, 52)
Show SMILES Cc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nc2C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C23H27N5O2/c1-14-5-8-20(24-11-14)19-9-18(19)13-30-22-10-21(23(29)28(4)27-22)25-12-17-7-6-15(2)26-16(17)3/h5-8,10-11,18-19,25H,9,12-13H2,1-4H3/t18-,19+/m1/s1
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 0.00700n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234789
PNG
(US9353104, 89)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cc(C)no2)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-12-6-15(29-24-12)10-22-18-8-19(23-25(2)20(18)26)28-11-13-7-16(13)17-5-4-14(27-3)9-21-17/h4-6,8-9,13,16,22H,7,10-11H2,1-3H3/t13-,16+/m1/s1
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 0.00800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM126826
PNG
(US8785467, 1-29)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)
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 0.00800n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The activity of the compounds in accordance with the present invention as PDE10 inhibitors may be readily determined without undue experimentation us...

US Patent US8785467 (2014)


BindingDB Entry DOI: 10.7270/Q2VT1QS1
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM126826
PNG
(US8785467, 1-29)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3ccc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C23H24ClN5OS/c1-14-21(24)28-23(29-22(14)25-13-20-15(2)26-16(3)31-20)30-12-6-8-18-11-10-17-7-4-5-9-19(17)27-18/h4-5,7,9-11H,6,8,12-13H2,1-3H3,(H,25,28,29)
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 0.00820n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human PDE10A2 transfected in AD293 cells by IMAP FP assay

J Med Chem 58: 7888-94 (2015)


Article DOI: 10.1021/acs.jmedchem.5b00983
BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234749
PNG
(US9353104, 37)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cn(C)nc2C)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C21H26N6O3/c1-13-15(11-26(2)24-13)9-22-19-8-20(25-27(3)21(19)28)30-12-14-7-17(14)18-6-5-16(29-4)10-23-18/h5-6,8,10-11,14,17,22H,7,9,12H2,1-4H3/t14-,17+/m1/s1
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 0.00900n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329579
PNG
(Trans-4-(2-methyl-4- (((1S,2R)-2-(quinolin-2- yl)c...)
Show SMILES Cc1ncc([C@H]2CC[C@H](O)CC2)c(OC[C@H]2C[C@H]2c2ccc3ccccc3n2)n1 |r,wU:15.15,17.19,8.8,wD:5.4,(-4.46,7.75,;-3.13,6.98,;-1.79,7.75,;-.46,6.98,;-.46,5.44,;.87,4.67,;.87,3.13,;2.21,2.36,;3.54,3.13,;4.87,2.36,;3.54,4.67,;2.21,5.44,;-1.79,4.67,;-1.79,3.13,;-2.56,1.79,;-1.79,.46,;-.46,-.31,;-1.79,-1.08,;-2.56,-2.41,;-4.1,-2.41,;-4.87,-3.75,;-4.1,-5.08,;-4.87,-6.41,;-4.1,-7.75,;-2.56,-7.75,;-1.79,-6.41,;-2.56,-5.08,;-1.79,-3.75,;-3.13,5.44,)|
Show InChI InChI=1S/C24H27N3O2/c1-15-25-13-21(16-6-9-19(28)10-7-16)24(26-15)29-14-18-12-20(18)23-11-8-17-4-2-3-5-22(17)27-23/h2-5,8,11,13,16,18-20,28H,6-7,9-10,12,14H2,1H3/t16-,18-,19-,20-/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50500520
PNG
(CHEMBL3746993)
Show SMILES Cc1nc(C)c(CNc2nc(OCC3CC3c3ccc4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C24H24ClN5OS/c1-13-22(25)29-24(30-23(13)26-11-21-14(2)27-15(3)32-21)31-12-17-10-18(17)20-9-8-16-6-4-5-7-19(16)28-20/h4-9,17-18H,10-12H2,1-3H3,(H,26,29,30)
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 0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin) by IMAP assay

Bioorg Med Chem Lett 26: 126-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.013
BindingDB Entry DOI: 10.7270/Q2NP27FW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50500538
PNG
(CHEMBL3745790)
Show SMILES COc1ccnc(c1)C1CC1COc1nc(Cl)c(C)c(NCc2sc(C)nc2C)n1
Show InChI InChI=1S/C21H24ClN5O2S/c1-11-19(22)26-21(27-20(11)24-9-18-12(2)25-13(3)30-18)29-10-14-7-16(14)17-8-15(28-4)5-6-23-17/h5-6,8,14,16H,7,9-10H2,1-4H3,(H,24,26,27)
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 0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin) by IMAP assay

Bioorg Med Chem Lett 26: 126-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.013
BindingDB Entry DOI: 10.7270/Q2NP27FW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329409
PNG
(4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cyclopr...)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1ccc(cc1)C(O)=O |r|
Show InChI InChI=1S/C25H21N3O3/c1-15-26-13-21(16-6-8-18(9-7-16)25(29)30)24(27-15)31-14-19-12-20(19)23-11-10-17-4-2-3-5-22(17)28-23/h2-11,13,19-20H,12,14H2,1H3,(H,29,30)/t19-,20+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329421
PNG
(1-(4-(2-methyl-4- (((1S,2S)-2-(quinolin-2- yl)cycl...)
Show SMILES CC(O)c1ccc(cc1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H25N3O2/c1-16(30)18-7-9-19(10-8-18)23-14-27-17(2)28-26(23)31-15-21-13-22(21)25-12-11-20-5-3-4-6-24(20)29-25/h3-12,14,16,21-22,30H,13,15H2,1-2H3/t16?,21-,22+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329513
PNG
(2-(4-methyl-5-(2-methyl-4- (((1S,2S)-2-(quinolin-2...)
Show SMILES Cc1ncc(c(OC[C@H]2CC2c2ccc3ccccc3n2)n1)-c1cnc(cc1C)C(C)(C)O |r|
Show InChI InChI=1S/C27H28N4O2/c1-16-11-25(27(3,4)32)29-13-21(16)22-14-28-17(2)30-26(22)33-15-19-12-20(19)24-10-9-18-7-5-6-8-23(18)31-24/h5-11,13-14,19-20,32H,12,15H2,1-4H3/t19-,20?/m1/s1
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<0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234787
PNG
(US9353104, 87)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cc(C)on2)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C20H23N5O4/c1-12-6-14(24-29-12)9-21-18-8-19(23-25(2)20(18)26)28-11-13-7-16(13)17-5-4-15(27-3)10-22-17/h4-6,8,10,13,16,21H,7,9,11H2,1-3H3/t13-,16+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM50500521
PNG
(CHEMBL3746277)
Show SMILES Cc1nc(C)c(CNc2nc(OCC3CC3c3cc(C)ccn3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H24ClN5OS/c1-11-5-6-23-17(7-11)16-8-15(16)10-28-21-26-19(22)12(2)20(27-21)24-9-18-13(3)25-14(4)29-18/h5-7,15-16H,8-10H2,1-4H3,(H,24,26,27)
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 0.0100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin) by IMAP assay

Bioorg Med Chem Lett 26: 126-32 (2016)


Article DOI: 10.1016/j.bmcl.2015.11.013
BindingDB Entry DOI: 10.7270/Q2NP27FW
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329542
PNG
(2-((1S,2S)-2-((2-methyl- 5-(pyridin-3- yl)pyrimidi...)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cccnc1 |r|
Show InChI InChI=1S/C23H20N4O/c1-15-25-13-20(17-6-4-10-24-12-17)23(26-15)28-14-18-11-19(18)22-9-8-16-5-2-3-7-21(16)27-22/h2-10,12-13,18-19H,11,14H2,1H3/t18-,19+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM194099
PNG
(US9200001, 13)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(\C=C\c3ccc4ncccc4n3)nc(C)n2)cc1OC
Show InChI InChI=1S/C27H25N7O2/c1-17-29-21(9-8-20-10-11-22-23(32-20)6-5-13-28-22)16-27(30-17)34-26(31-18(2)33-34)15-19-7-12-24(35-3)25(14-19)36-4/h5-14,16H,15H2,1-4H3/b9-8+
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...

US Patent US9200001 (2015)


BindingDB Entry DOI: 10.7270/Q2BP01M3
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329541
PNG
((5-(2-methyl-4-(((1S,2S)- 2-(quinolin-2- yl)cyclop...)
Show SMILES Cc1ncc(-c2ccc(CO)nc2)c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1 |r|
Show InChI InChI=1S/C24H22N4O2/c1-15-25-12-21(17-6-8-19(13-29)26-11-17)24(27-15)30-14-18-10-20(18)23-9-7-16-4-2-3-5-22(16)28-23/h2-9,11-12,18,20,29H,10,13-14H2,1H3/t18-,20+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM329540
PNG
(2-((1S,2S)-2-((2-methyl- 5-(2-methylpyridin-4- yl)...)
Show SMILES Cc1cc(ccn1)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C24H22N4O/c1-15-11-18(9-10-25-15)21-13-26-16(2)27-24(21)29-14-19-12-20(19)23-8-7-17-5-3-4-6-22(17)28-23/h3-11,13,19-20H,12,14H2,1-2H3/t19-,20+/m1/s1
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 0.0100n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9663513 (2017)


BindingDB Entry DOI: 10.7270/Q25D8TXC
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM209781
PNG
(US9273033, 81)
Show SMILES Cc1ncc(c(OC[C@H]2C[C@@H]2c2ccc3ccccc3n2)n1)-c1cc(=O)[nH]cc1C |r|
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 0.0110 -62.5n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...

US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234725
PNG
(US9353104, 13)
Show SMILES Cc1ncc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)s1 |r|
Show InChI InChI=1S/C20H23N5O2S/c1-12-4-5-17(22-8-12)16-6-14(16)11-27-19-7-18(20(26)25(3)24-19)23-10-15-9-21-13(2)28-15/h4-5,7-9,14,16,23H,6,10-11H2,1-3H3/t14-,16+/m1/s1
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 0.0110n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM209800
PNG
(US9273033, 100)
Show SMILES COCCn1ccc(cc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O3/c1-17-27-15-22(19-9-10-30(11-12-32-2)25(31)14-19)26(28-17)33-16-20-13-21(20)24-8-7-18-5-3-4-6-23(18)29-24/h3-10,14-15,20-21H,11-13,16H2,1-2H3/t20-,21+/m1/s1
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 0.0120 -62.3n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...

US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM147136
PNG
(US8957077, M-3)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2nnc(C)s2)n2nccc2n1 |r|
Show InChI InChI=1S/C20H21N7O2S/c1-12-25-26-20(30-12)10-22-18-8-19(24-17-5-6-23-27(17)18)29-11-13-7-15(13)16-4-3-14(28-2)9-21-16/h3-6,8-9,13,15,22H,7,10-11H2,1-2H3/t13-,15+/m1/s1
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 0.0120n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exper...

US Patent US8957077 (2015)


BindingDB Entry DOI: 10.7270/Q29G5KHW
More data for this
Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))		BDBM234713
PNG
(US9353104, 1)
Show SMILES Cn1ccc(n1)[C@H]1C[C@@H]1COc1cc(Br)c(=O)n(C)n1 |r|
Show InChI InChI=1S/C13H15BrN4O2/c1-17-4-3-11(15-17)9-5-8(9)7-20-12-6-10(14)13(19)18(2)16-12/h3-4,6,8-9H,5,7H2,1-2H3/t8-,9+/m1/s1
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 0.0130n/an/an/an/an/an/an/an/a



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP® FP kit supplied by Molecular Devices, Sunny...

US Patent US9353104 (2016)


BindingDB Entry DOI: 10.7270/Q2ZP4517
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM209711
PNG
(US9273033, 9)
Show SMILES CC(C)n1cc(ccc1=O)-c1cnc(C)nc1OC[C@H]1C[C@@H]1c1ccc2ccccc2n1 |r|
Show InChI InChI=1S/C26H26N4O2/c1-16(2)30-14-19(9-11-25(30)31)22-13-27-17(3)28-26(22)32-15-20-12-21(20)24-10-8-18-6-4-5-7-23(18)29-24/h4-11,13-14,16,20-21H,12,15H2,1-3H3/t20-,21+/m1/s1
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 0.0140 -62.0n/an/an/an/an/an/a25



Merck Sharp & Dohme Corp.

US Patent


Assay Description
The fluorescence polarization assay for cyclic nucleotide phosphodiesterases was performed using an IMAP FP kit supplied by Molecular Devices, Sunnyv...

US Patent US9273033 (2016)


BindingDB Entry DOI: 10.7270/Q26Q1W2R
More data for this
Ligand-Target Pair
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