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Compile Data Set for Download or QSAR

Found 731 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 10A (PDE10A2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
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)

More data for this
Ligand-Target Pair
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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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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US Patent
0.00200n/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)

More data for this
Ligand-Target Pair
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=1/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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0.00300n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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0.00300n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
0.00300n/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)

More data for this
Ligand-Target Pair
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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US Patent
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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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0.00400n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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US Patent
0.00400n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
0.00400n/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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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US Patent
0.00400n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194122
PNG
(US9200001, 38)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2nc3ccccc3[nH]2)cc1OC
Show InChI InChI=1/C27H27N7O2/c1-15-28-22(18-13-19(18)27-31-20-7-5-6-8-21(20)32-27)14-26(29-15)34-25(30-16(2)33-34)12-17-9-10-23(35-3)24(11-17)36-4/h5-11,14,18-19H,12-13H2,1-4H3,(H,31,32)
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/C27H27N7O2/c1-15-28-22(18-13-19(18)27-31-20-7-5-6-8-21(20)32-27)14-26(29-15)34-25(30-16(2)33-34)12-17-9-10-23(35-3)24(11-17)36-4/h5-11,14,18-19H,12-13H2,1-4H3,(H,31,32)/t18-,19-/s2
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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US Patent
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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
PDB

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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
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
Show InChI InChI=1/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+/s2
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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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234826
PNG
(US9353104, 131)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2cnn(C)c2)c(=O)n(C)n1
Show InChI InChI=1/C20H24N6O3/c1-25-11-13(9-23-25)8-21-18-7-19(24-26(2)20(18)27)29-12-14-6-16(14)17-5-4-15(28-3)10-22-17/h4-5,7,9-11,14,16,21H,6,8,12H2,1-3H3/t14-,16+/s2
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0.0140n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234716
PNG
(US9353104, 4)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2nnc(C)s2)c(=O)n(C)n1
Show InChI InChI=1/C19H22N6O3S/c1-11-22-23-18(29-11)9-21-16-7-17(24-25(2)19(16)26)28-10-12-6-14(12)15-5-4-13(27-3)8-20-15/h4-5,7-8,12,14,21H,6,9-10H2,1-3H3/t12-,14+/s2
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0.0150n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234760
PNG
(US9353104, 54)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)c(C)n1
Show InChI InChI=1/C22H24ClN5O2/c1-13-4-5-15(14(2)26-13)10-24-20-9-21(27-28(3)22(20)29)30-12-16-8-18(16)19-7-6-17(23)11-25-19/h4-7,9,11,16,18,24H,8,10,12H2,1-3H3/t16-,18+/s2
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0.0190n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234777
PNG
(US9353104, 72)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)cn2)c(=O)n(C)n1
Show InChI InChI=1/C22H25N5O3/c1-14-4-5-16(23-10-14)11-24-20-9-21(26-27(2)22(20)28)30-13-15-8-18(15)19-7-6-17(29-3)12-25-19/h4-7,9-10,12,15,18,24H,8,11,13H2,1-3H3/t15-,18+/s2
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0.0190n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234745
PNG
(US9353104, 33)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(Cl)cn3)nn(C)c2=O)n(C)n1
Show InChI InChI=1/C20H23ClN6O2/c1-12-6-15(26(2)24-12)10-23-18-8-19(25-27(3)20(18)28)29-11-13-7-16(13)17-5-4-14(21)9-22-17/h4-6,8-9,13,16,23H,7,10-11H2,1-3H3/t13-,16+/s2
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0.0200n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234761
PNG
(US9353104, 55)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccccn3)nn(C)c2=O)c(C)n1
Show InChI InChI=1/C22H25N5O2/c1-14-7-8-16(15(2)25-14)12-24-20-11-21(26-27(3)22(20)28)29-13-17-10-18(17)19-6-4-5-9-23-19/h4-9,11,17-18,24H,10,12-13H2,1-3H3/t17-,18+/s2
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0.0210n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234828
PNG
(US9353104, 133)
Show SMILES COc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC)cn3)nn(C)c2=O)cc1
Show InChI InChI=1/C23H26N4O4/c1-27-23(28)21(24-12-15-4-6-17(29-2)7-5-15)11-22(26-27)31-14-16-10-19(16)20-9-8-18(30-3)13-25-20/h4-9,11,13,16,19,24H,10,12,14H2,1-3H3/t16-,19+/s2
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0.0210n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194089
PNG
(US9200001, 2)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C#Cc2ccc3ccccc3n2)cc1OC
Show InChI InChI=1S/C28H24N6O2/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,16H2,1-4H3
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0.0230n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234757
PNG
(US9353104, 51)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)c(C)n1
Show InChI InChI=1/C21H26N6O2/c1-13-5-6-15(14(2)23-13)11-22-19-10-20(25-27(4)21(19)28)29-12-16-9-17(16)18-7-8-26(3)24-18/h5-8,10,16-17,22H,9,11-12H2,1-4H3/t16-,17+/s2
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0.0230n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234769
PNG
(US9353104, 64)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nc2)c(=O)n(C)n1
Show InChI InChI=1/C22H25N5O3/c1-14-4-5-15(10-23-14)11-24-20-9-21(26-27(2)22(20)28)30-13-16-8-18(16)19-7-6-17(29-3)12-25-19/h4-7,9-10,12,16,18,24H,8,11,13H2,1-3H3/t16-,18+/s2
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0.0250n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194102
PNG
(US9200001, 16)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ncccc4n3)nc(C)n2)cc1OC
Show InChI InChI=1S/C27H27N7O2/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/h5-7,10-14,16H,8-9,15H2,1-4H3
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0.0270n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194111
PNG
(US9200001, 25)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)[C@H]2C[C@@H]2c2nc3ccccc3[nH]2)cc1OC
Show InChI InChI=1/C27H27N7O2/c1-15-28-22(18-13-19(18)27-31-20-7-5-6-8-21(20)32-27)14-26(29-15)34-25(30-16(2)33-34)12-17-9-10-23(35-3)24(11-17)36-4/h5-11,14,18-19H,12-13H2,1-4H3,(H,31,32)/t18-,19-/s2
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0.0270n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234833
PNG
(US9353104, 138)
Show SMILES CCc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)n(C)n1
Show InChI InChI=1/C22H28N6O2/c1-5-16-9-17(27(3)25-16)12-24-20-10-21(26-28(4)22(20)29)30-13-15-8-18(15)19-7-6-14(2)11-23-19/h6-7,9-11,15,18,24H,5,8,12-13H2,1-4H3/t15-,18+/s2
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0.0270n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234764
PNG
(US9353104, 58)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(OC(F)F)cn3)nn(C)c2=O)c(C)n1
Show InChI InChI=1/C23H25F2N5O3/c1-13-4-5-15(14(2)28-13)10-26-20-9-21(29-30(3)22(20)31)32-12-16-8-18(16)19-7-6-17(11-27-19)33-23(24)25/h4-7,9,11,16,18,23,26H,8,10,12H2,1-3H3/t16-,18+/s2
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0.0280n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194095
PNG
(US9200001, 8)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)nc1OC
Show InChI InChI=1S/C27H27N7O2/c1-17-28-21(12-11-20-10-9-19-7-5-6-8-23(19)31-20)15-25(29-17)34-26(30-18(2)33-34)16-22-13-14-24(35-3)27(32-22)36-4/h5-10,13-15H,11-12,16H2,1-4H3
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0.0280n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234838
PNG
(US9353104, 144)
Show SMILES CCn1nc(OC[C@H]2C[C@@H]2c2ccc(OC)cn2)cc(NCc2nnc(C)s2)c1=O
Show InChI InChI=1/C20H24N6O3S/c1-4-26-20(27)17(22-10-19-24-23-12(2)30-19)8-18(25-26)29-11-13-7-15(13)16-6-5-14(28-3)9-21-16/h5-6,8-9,13,15,22H,4,7,10-11H2,1-3H3/t13-,15+/s2
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0.0320n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234811
PNG
(US9353104, 115)
Show SMILES Cc1nnc(CNc2cc(OC[C@H]3C[C@@H]3c3cccc(C)n3)nn(C)c2=O)s1
Show InChI InChI=1/C19H22N6O2S/c1-11-5-4-6-15(21-11)14-7-13(14)10-27-17-8-16(19(26)25(3)24-17)20-9-18-23-22-12(2)28-18/h4-6,8,13-14,20H,7,9-10H2,1-3H3/t13-,14+/s2
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0.0330n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234759
PNG
(US9353104, 53)
Show SMILES Cc1ccc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(F)cn3)nn(C)c2=O)c(C)n1
Show InChI InChI=1/C22H24FN5O2/c1-13-4-5-15(14(2)26-13)10-24-20-9-21(27-28(3)22(20)29)30-12-16-8-18(16)19-7-6-17(23)11-25-19/h4-7,9,11,16,18,24H,8,10,12H2,1-3H3/t16-,18+/s2
PDB

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US Patent
0.0340n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234814
PNG
(US9353104, 118)
Show SMILES Cc1cnc(CNc2cc(OC[C@H]3C[C@@H]3c3cccc(C)n3)nn(C)c2=O)s1
Show InChI InChI=1/C20H23N5O2S/c1-12-5-4-6-16(23-12)15-7-14(15)11-27-18-8-17(20(26)25(3)24-18)21-10-19-22-9-13(2)28-19/h4-6,8-9,14-15,21H,7,10-11H2,1-3H3/t14-,15+/s2
PDB

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AffyNet 
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US Patent
0.0370n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234781
PNG
(US9353104, 76)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2ccc(C)nn2)c(=O)n(C)n1
Show InChI InChI=1/C21H24N6O3/c1-13-4-5-15(25-24-13)10-22-19-9-20(26-27(2)21(19)28)30-12-14-8-17(14)18-7-6-16(29-3)11-23-18/h4-7,9,11,14,17,22H,8,10,12H2,1-3H3/t14-,17+/s2
PDB

GoogleScholar
AffyNet 
UniChem
AffyNet 
US Patent
0.0390n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234733
PNG
(US9353104, 21)
Show SMILES Cc1cc(CNc2cc(OC[C@H]3C[C@@H]3c3ccn(C)n3)nn(C)c2=O)n(C)n1
Show InChI InChI=1/C19H25N7O2/c1-12-7-14(25(3)21-12)10-20-17-9-18(23-26(4)19(17)27)28-11-13-8-15(13)16-5-6-24(2)22-16/h5-7,9,13,15,20H,8,10-11H2,1-4H3/t13-,15+/s2
PDB

GoogleScholar
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UniChem
AffyNet 
US Patent
0.0440n/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)

More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM234822
PNG
(US9353104, 127)
Show SMILES Cc1nc(CNc2cc(OC[C@H]3C[C@@H]3c3ccc(C)cn3)nn(C)c2=O)sc1C
Show InChI InChI=1/C21H25N5O2S/c1-12-5-6-17(22-9-12)16-7-15(16)11-28-19-8-18(21(27)26(4)25-19)23-10-20-24-13(2)14(3)29-20/h5-6,8-9,15-16,23H,7,10-11H2,1-4H3/t15-,16+/s2
PDB

GoogleScholar
AffyNet 
UniChem
AffyNet 
US Patent
0.0450n/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)

More data for this
Ligand-Target Pair
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