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Compile Data Set for Download or QSAR

Found 1037 hits with Last Name = 'cox' and Initial = 'cd'   
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
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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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)


BindingDB Entry DOI: 10.7270/Q2BP01M3
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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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)


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=1/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+/s2
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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 exper...


US Patent US8975261 (2015)


BindingDB Entry DOI: 10.7270/Q2JS9P5F
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)


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))
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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0.00320n/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
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
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)


BindingDB Entry DOI: 10.7270/Q2BP01M3
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 |r|
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)


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))
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)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
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))
BDBM147136
PNG
(US8957077, M-3)
Show SMILES COc1ccc(nc1)[C@H]1C[C@@H]1COc1cc(NCc2nnc(C)s2)n2nccc2n1 |r|
Show InChI InChI=1/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+/s2
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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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126823
PNG
(US8785467, 1-20)
Show SMILES Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccccn3)nc(Cl)c2C)s1 |r|
Show InChI InChI=1S/C20H22ClN5OS/c1-11-18(21)25-20(26-19(11)23-9-17-12(2)24-13(3)28-17)27-10-14-8-15(14)16-6-4-5-7-22-16/h4-7,14-15H,8-10H2,1-3H3,(H,23,25,26)/t14-,15+/m1/s1
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0.0190n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126828
PNG
(US8785467, 1-37)
Show SMILES Cc1c(Cl)nc(OC[C@@H]2C[C@H]2c2ccc3ncccc3n2)nc1NCc1cnn(C)c1 |r|
Show InChI InChI=1S/C22H22ClN7O/c1-13-20(23)28-22(29-21(13)25-9-14-10-26-30(2)11-14)31-12-15-8-16(15)17-5-6-18-19(27-17)4-3-7-24-18/h3-7,10-11,15-16H,8-9,12H2,1-2H3,(H,25,28,29)/t15-,16+/m0/s1
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0.0190n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM126825
PNG
(US8785467, 1-27)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-12-19(22)27-21(28-20(12)23-11-17-13(2)24-14(3)30-17)29-10-6-9-18-25-15-7-4-5-8-16(15)26-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,25,26)(H,23,27,28)
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0.0200n/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)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
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=1/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+/s2
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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
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)


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))
BDBM126825
PNG
(US8785467, 1-27)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4[nH]3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-12-19(22)27-21(28-20(12)23-11-17-13(2)24-14(3)30-17)29-10-6-9-18-25-15-7-4-5-8-16(15)26-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,25,26)(H,23,27,28)
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0.0230n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM135609
PNG
(US8846000, G-2)
Show SMILES CC(C)Oc1cccc2C(=O)N(CCc3nc4cc(C)ccc4c(=O)n3-c3ccc4cnn(C)c4c3)C(=O)c12
Show InChI InChI=1S/C30H27N5O4/c1-17(2)39-25-7-5-6-22-27(25)30(38)34(28(22)36)13-12-26-32-23-14-18(3)8-11-21(23)29(37)35(26)20-10-9-19-16-31-33(4)24(19)15-20/h5-11,14-17H,12-13H2,1-4H3
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US Patent
0.0240n/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 US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50125967
PNG
(CHEMBL3627846)
Show SMILES Cc1ccc2c(c1)nc(CCN1C(=O)c3ccccc3C1=O)n(-c1ccc3n(C)ncc3c1)c2=O
Show InChI InChI=1S/C27H21N5O3/c1-16-7-9-21-22(13-16)29-24(11-12-31-25(33)19-5-3-4-6-20(19)26(31)34)32(27(21)35)18-8-10-23-17(14-18)15-28-30(23)2/h3-10,13-15H,11-12H2,1-2H3
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0.0250n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin)


Bioorg Med Chem Lett 25: 4893-8 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
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)


BindingDB Entry DOI: 10.7270/Q2BP01M3
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 |r|
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)


BindingDB Entry DOI: 10.7270/Q2BP01M3
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)


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))
BDBM163722
PNG
(US9062059, 1-2)
Show SMILES Cc1nc(NCc2cnn(C)c2)cc(OC[C@H]2C[C@@H]2c2ccccn2)n1 |r|
Show InChI InChI=1/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+/s2
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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))
BDBM126827
PNG
(US8785467, 1-32)
Show SMILES Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H21ClN6O2S/c1-12-18(22)27-21(28-19(12)24-11-16-13(2)25-14(3)31-16)30-10-9-29-17-7-6-15-5-4-8-23-20(15)26-17/h4-8H,9-11H2,1-3H3,(H,24,27,28)
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0.0400n/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)


BindingDB Entry DOI: 10.7270/Q26Q202C
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=1/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+/s2
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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))
BDBM149477
PNG
(US8975261, I-42)
Show SMILES Cn1cc(cn1)-c1cc2ccncc2nc1OC[C@H]1C[C@@H]1c1ccc2ncccc2n1 |r|
Show InChI InChI=1/C24H20N6O/c1-30-13-17(11-27-30)19-9-15-6-8-25-12-23(15)29-24(19)31-14-16-10-18(16)20-4-5-21-22(28-20)3-2-7-26-21/h2-9,11-13,16,18H,10,14H2,1H3/t16-,18+/s2
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0.0400n/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 US8975261 (2015)


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


(Homo sapiens (Human))
BDBM126827
PNG
(US8785467, 1-32)
Show SMILES Cc1nc(C)c(CNc2nc(OCCOc3ccc4cccnc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H21ClN6O2S/c1-12-18(22)27-21(28-19(12)24-11-16-13(2)25-14(3)31-16)30-10-9-29-17-7-6-15-5-4-8-23-20(15)26-17/h4-8H,9-11H2,1-3H3,(H,24,27,28)
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0.0400n/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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50124648
PNG
(CHEMBL3622901)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3cn4ccccc4n3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H23ClN6OS/c1-13-19(22)26-21(27-20(13)23-11-17-14(2)24-15(3)30-17)29-10-6-7-16-12-28-9-5-4-8-18(28)25-16/h4-5,8-9,12H,6-7,10-11H2,1-3H3,(H,23,26,27)
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0.0470n/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)


BindingDB Entry DOI: 10.7270/Q26Q202C
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=1/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+/s2
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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))
BDBM50124649
PNG
(CHEMBL3622902)
Show SMILES Cc1nc(C)c(CNc2nc(OCCCc3nc4ccccc4s3)nc(Cl)c2C)s1
Show InChI InChI=1S/C21H22ClN5OS2/c1-12-19(22)26-21(27-20(12)23-11-17-13(2)24-14(3)29-17)28-10-6-9-18-25-15-7-4-5-8-16(15)30-18/h4-5,7-8H,6,9-11H2,1-3H3,(H,23,26,27)
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0.0550n/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)


BindingDB Entry DOI: 10.7270/Q26Q202C
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM135597
PNG
(US8846000, 1-13)
Show SMILES COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1ccc3cc[nH]c3c1)c2=O
Show InChI InChI=1S/C30H26N4O5/c1-17(2)39-25-6-4-5-22-27(25)30(37)33(28(22)35)14-12-26-32-24-16-20(38-3)9-10-21(24)29(36)34(26)19-8-7-18-11-13-31-23(18)15-19/h4-11,13,15-17,31H,12,14H2,1-3H3
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0.0550n/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 US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194101
PNG
(US9200001, 15)
Show SMILES COc1ncc(Cc2nc(C)nn2-c2cc(CCc3ccc4ccccc4n3)nc(C)n2)nc1OC
Show InChI InChI=1S/C26H26N8O2/c1-16-28-20(12-11-19-10-9-18-7-5-6-8-22(18)31-19)13-23(29-16)34-24(30-17(2)33-34)14-21-15-27-25(35-3)26(32-21)36-4/h5-10,13,15H,11-12,14H2,1-4H3
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0.0560n/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))
BDBM126836
PNG
(US8785467, 1-45)
Show SMILES Cc1nc(C)c(CNc2nc(OC[C@H]3C[C@@H]3c3ccc4ncccc4n3)ncc2C)s1 |r|
Show InChI InChI=1S/C23H24N6OS/c1-13-10-26-23(29-22(13)25-11-21-14(2)27-15(3)31-21)30-12-16-9-17(16)18-6-7-19-20(28-18)5-4-8-24-19/h4-8,10,16-17H,9,11-12H2,1-3H3,(H,25,26,29)/t16-,17+/m1/s1
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0.0580n/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
Orexin receptor type 1


(Homo sapiens (Human))
BDBM50108620
PNG
(CHEMBL3597953)
Show SMILES Cc1nc(C(=O)N2CCCC[C@H]2CCOc2ccc(F)cc2)c(s1)-c1ccccc1 |r|
Show InChI InChI=1/C24H25FN2O2S/c1-17-26-22(23(30-17)18-7-3-2-4-8-18)24(28)27-15-6-5-9-20(27)14-16-29-21-12-10-19(25)11-13-21/h2-4,7-8,10-13,20H,5-6,9,14-16H2,1H3/t20-/s2
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0.0600n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to OX1R (unknown origin)


J Med Chem 59: 504-30 (2016)


BindingDB Entry DOI: 10.7270/Q29C709W
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244119
PNG
(US9428492, 3 | US9428492, 3a | US9428492, 3b)
Show SMILES Cc1nc(C(O)C(F)(F)F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1/C21H21F3N8O/c1-11-25-16(8-17(26-11)32-20(27-12(2)29-32)18(33)21(22,23)24)31-9-13(10-31)19-28-14-6-4-5-7-15(14)30(19)3/h4-8,13,18,33H,9-10H2,1-3H3
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0.0600 -58.3n/an/an/an/an/a7.225



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, S...


US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM236019
PNG
(US9365562, 57)
Show SMILES Cc1nc(Cc2cc(F)ccc2F)n(n1)-c1cc(nc(C)n1)N1CC(C1)c1nc2ccccc2n1C
Show InChI InChI=1S/C26H24F2N8/c1-15-29-23(35-13-18(14-35)26-32-21-6-4-5-7-22(21)34(26)3)12-25(30-15)36-24(31-16(2)33-36)11-17-10-19(27)8-9-20(17)28/h4-10,12,18H,11,13-14H2,1-3H3
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0.0650 -58.1n/an/an/an/an/a7.225



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, S...


US Patent US9365562 (2016)


BindingDB Entry DOI: 10.7270/Q2ST7NQZ
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194119
PNG
(US9200001, 34)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C2CC2c2ccc3ncccc3n2)cc1OC
Show InChI InChI=1/C28H27N7O2/c1-16-30-24(20-14-19(20)21-8-9-22-23(33-21)6-5-11-29-22)15-28(31-16)35-27(32-17(2)34-35)13-18-7-10-25(36-3)26(12-18)37-4/h5-12,15,19-20H,13-14H2,1-4H3
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0.0680n/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))
BDBM135600
PNG
(US8846000, 1-16)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(c3C2=O)-c2ccncc2)nc2ccccc2c1=O
Show InChI InChI=1S/C30H22N4O4/c1-38-21-11-9-20(10-12-21)34-26(32-25-8-3-2-5-23(25)29(34)36)15-18-33-28(35)24-7-4-6-22(27(24)30(33)37)19-13-16-31-17-14-19/h2-14,16-17H,15,18H2,1H3
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0.0720n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Inhibition of PDE10A (unknown origin)


Bioorg Med Chem Lett 25: 4893-8 (2015)


BindingDB Entry DOI: 10.7270/Q2RJ4M9Z
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM135600
PNG
(US8846000, 1-16)
Show SMILES COc1ccc(cc1)-n1c(CCN2C(=O)c3cccc(c3C2=O)-c2ccncc2)nc2ccccc2c1=O
Show InChI InChI=1S/C30H22N4O4/c1-38-21-11-9-20(10-12-21)34-26(32-25-8-3-2-5-23(25)29(34)36)15-18-33-28(35)24-7-4-6-22(27(24)30(33)37)19-13-16-31-17-14-19/h2-14,16-17H,15,18H2,1H3
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US Patent
0.0730n/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 US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194094
PNG
(US9200001, 7)
Show SMILES COc1ccc(Cc2nc(C)nn2-c2cc(nc(C)n2)C#Cc2ccc3ccccc3n2)nc1OC
Show InChI InChI=1S/C27H23N7O2/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,16H2,1-4H3
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0.0730n/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))
BDBM135598
PNG
(US8846000, 1-14)
Show SMILES COc1ccc2c(c1)nc(CCN1C(=O)c3cccc(OC(C)C)c3C1=O)n(-c1cccc(C)c1)c2=O
Show InChI InChI=1S/C29H27N3O5/c1-17(2)37-24-10-6-9-22-26(24)29(35)31(27(22)33)14-13-25-30-23-16-20(36-4)11-12-21(23)28(34)32(25)19-8-5-7-18(3)15-19/h5-12,15-17H,13-14H2,1-4H3
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0.0770n/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 US8846000 (2014)


BindingDB Entry DOI: 10.7270/Q2X63KM9
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=1/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+/s2
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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))
BDBM147143
PNG
(US8957077, 1-18)
Show SMILES Cc1nnc(CNc2c(F)c(OC[C@H]3C[C@@H]3c3ccccn3)nc3ccnn23)s1 |r|
Show InChI InChI=1/C19H18FN7OS/c1-11-25-26-16(29-11)9-22-18-17(20)19(24-15-5-7-23-27(15)18)28-10-12-8-13(12)14-4-2-3-6-21-14/h2-7,12-13,22H,8-10H2,1H3/t12-,13+/s2
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0.0800n/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
Orexin receptor type 2 (OX2)


(Rattus norvegicus (Rat))
BDBM104700
PNG
(US8569311, 1-10)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)cn2)CN1C(=O)c1cc(C)ccc1-c1ccccc1 |r|
Show InChI InChI=1S/C26H27FN2O2/c1-18-8-12-23(21-6-4-3-5-7-21)24(14-18)26(30)29-16-20(10-9-19(29)2)17-31-25-13-11-22(27)15-28-25/h3-8,11-15,19-20H,9-10,16-17H2,1-2H3/t19-,20-/m1/s1
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0.0800n/an/an/an/an/an/an/an/a



Merch Sharp & Dohme Corp.

US Patent


Assay Description
Radioligand binding assay described in Bergman et. al. Bioorg. Med. Chem. Lett. 2008, 18, 1425-1430.


US Patent US8569311 (2013)


BindingDB Entry DOI: 10.7270/Q2TT4PM6
More data for this
Ligand-Target Pair
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM194145
PNG
(US9200001, 61)
Show SMILES Cc1nc(C)n(n1)-c1cc(nc(n1)C#N)[C@@H]1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1/C20H18N8/c1-11-22-12(2)28(26-11)19-9-16(23-18(10-21)25-19)13-8-14(13)20-24-15-6-4-5-7-17(15)27(20)3/h4-7,9,13-14H,8H2,1-3H3/t13-,14-/s2
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0.0850n/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))
BDBM163735
PNG
(US9062059, 3-25)
Show SMILES Cc1nnc(CNc2nc(N)nc(OC[C@H]3C[C@@H]3c3ccc4CCCc4n3)c2F)s1 |r|
Show InChI InChI=1/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+/s2
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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
Phosphodiesterase 10A (PDE10A2)


(Homo sapiens (Human))
BDBM244145
PNG
(US9428492, 15)
Show SMILES Cc1nc([C@H](O)c2ccccc2)n(n1)-c1cc(nc(C)n1)C1C[C@H]1c1nc2ccccc2n1C |r|
Show InChI InChI=1/C26H25N7O/c1-15-27-21(18-13-19(18)25-30-20-11-7-8-12-22(20)32(25)3)14-23(28-15)33-26(29-16(2)31-33)24(34)17-9-5-4-6-10-17/h4-12,14,18-19,24,34H,13H2,1-3H3/t18?,19-,24-/s2
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0.0900 -57.3n/an/an/an/an/a7.225



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, S...


US Patent US9428492 (2016)


BindingDB Entry DOI: 10.7270/Q2HD7TKM
More data for this
Ligand-Target Pair
Orexin receptor type 2


(Homo sapiens (Human))
BDBM50148575
PNG
(CHEMBL3770503)
Show SMILES C[C@@H]1CC[C@@H](COc2ccc(F)c(C)c2)CN1C(=O)c1cc(C)ccc1-n1nccn1 |r|
Show InChI InChI=1/C24H27FN4O2/c1-16-4-9-23(29-26-10-11-27-29)21(12-16)24(30)28-14-19(6-5-18(28)3)15-31-20-7-8-22(25)17(2)13-20/h4,7-13,18-19H,5-6,14-15H2,1-3H3/t18-,19-/s2
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0.100n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Binding affinity to OX2R (unknown origin)


J Med Chem 59: 504-30 (2016)


BindingDB Entry DOI: 10.7270/Q29C709W
More data for this
Ligand-Target Pair
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