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Compile Data Set for Download or QSAR

Found 34 hits Enz. Inhib. hit(s) with all data for entry = 50044878   
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
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 0.600n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034648
PNG
(CHEMBL3360421)
Show SMILES C[C@@H](Nc1nc2n(ncc2c(=O)[nH]1)C1CCCC1)C(=O)Nc1ccc(F)cc1 |r|
Show InChI InChI=1S/C19H21FN6O2/c1-11(17(27)23-13-8-6-12(20)7-9-13)22-19-24-16-15(18(28)25-19)10-21-26(16)14-4-2-3-5-14/h6-11,14H,2-5H2,1H3,(H,23,27)(H2,22,24,25,28)/t11-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034645
PNG
(CHEMBL3360419)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1 |r|
Show InChI InChI=1S/C18H22N6O3/c1-10(2)24-15-14(9-19-24)17(26)23-18(22-15)20-11(3)16(25)21-12-5-7-13(27-4)8-6-12/h5-11H,1-4H3,(H,21,25)(H2,20,22,23,26)/t11-/m1/s1
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n/an/a 1.10n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034639
PNG
(CHEMBL3360414 | US9617269, Compound WYQ-91)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1
Show InChI InChI=1S/C19H22N6O3/c1-28-14-8-6-12(7-9-14)22-16(26)11-20-19-23-17-15(18(27)24-19)10-21-25(17)13-4-2-3-5-13/h6-10,13H,2-5,11H2,1H3,(H,22,26)(H2,20,23,24,27)
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n/an/a 5.5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 6.40n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034643
PNG
(CHEMBL3360417)
Show SMILES COc1ccc(NC(=O)[C@@H](CC(C)C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C23H30N6O3/c1-14(2)12-19(22(31)25-15-8-10-17(32-3)11-9-15)26-23-27-20-18(21(30)28-23)13-24-29(20)16-6-4-5-7-16/h8-11,13-14,16,19H,4-7,12H2,1-3H3,(H,25,31)(H2,26,27,28,30)/t19-/m1/s1
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n/an/a 8.10n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034646
PNG
(CHEMBL3360420)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(CC(C)C)ncc3c(=O)[nH]2)cc1 |r|
Show InChI InChI=1S/C19H24N6O3/c1-11(2)10-25-16-15(9-20-25)18(27)24-19(23-16)21-12(3)17(26)22-13-5-7-14(28-4)8-6-13/h5-9,11-12H,10H2,1-4H3,(H,22,26)(H2,21,23,24,27)/t12-/m1/s1
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n/an/a 18n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034644
PNG
(CHEMBL3360418 | US9617269, Compound WYQ-88)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)C(C)C)cc1
Show InChI InChI=1S/C17H20N6O3/c1-10(2)23-15-13(8-19-23)16(25)22-17(21-15)18-9-14(24)20-11-4-6-12(26-3)7-5-11/h4-8,10H,9H2,1-3H3,(H,20,24)(H2,18,21,22,25)
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n/an/a 26n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A


(Homo sapiens (Human))
BDBM50034638
PNG
(CHEMBL3360411 | US9617269, Compound WYQ-95)
Show SMILES COc1ccc(NC(=O)CNc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1
Show InChI InChI=1S/C20H17ClN6O3/c1-30-13-8-6-12(7-9-13)24-17(28)11-22-20-25-18-14(19(29)26-20)10-23-27(18)16-5-3-2-4-15(16)21/h2-10H,11H2,1H3,(H,24,28)(H2,22,25,26,29)
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n/an/a 52n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE9A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 91n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE5A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 141n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE5A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 417n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE5A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 473n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 1.80E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 1.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 2.30E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a 3.30E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE5A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 3.70E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE10A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysi...


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 6.90E+3n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE10A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysi...


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 1.30E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE2A3 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 1.79E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a 1.80E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE1B2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a 3.32E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE3A catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a 3.33E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE10A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysi...


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE3A catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE2A3 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a>5.00E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE10A2 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysi...


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a 5.12E+4n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE8A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50034647
PNG
(CHEMBL3360412)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE8A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A


(Homo sapiens (Human))
BDBM50034649
PNG
(CHEMBL3360413)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)-c2ccccc2Cl)cc1 |r|
Show InChI InChI=1S/C21H19ClN6O3/c1-12(19(29)25-13-7-9-14(31-2)10-8-13)24-21-26-18-15(20(30)27-21)11-23-28(18)17-6-4-3-5-16(17)22/h3-12H,1-2H3,(H,25,29)(H2,24,26,27,30)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE7A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50034641
PNG
(CHEMBL3360415)
Show SMILES COc1ccc(NC(=O)[C@@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE8A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A


(Homo sapiens (Human))
BDBM50034642
PNG
(CHEMBL3360416)
Show SMILES COc1ccc(NC(=O)[C@H](C)Nc2nc3n(ncc3c(=O)[nH]2)C2CCCC2)cc1 |r|
Show InChI InChI=1S/C20H24N6O3/c1-12(18(27)23-13-7-9-15(29-2)10-8-13)22-20-24-17-16(19(28)25-20)11-21-26(17)14-5-3-4-6-14/h7-12,14H,3-6H2,1-2H3,(H,23,27)(H2,22,24,25,28)/t12-/m0/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Sun Yat-Sen University

Curated by ChEMBL


Assay Description
Inhibition of PDE8A1 catalytic domain (unknown origin) using [3H]-cGMP/[3H]-cAMP as substrate after 15 mins by liquid scintillation counting analysis


J Med Chem 57: 10304-13 (2014)


Article DOI: 10.1021/jm500836h
BindingDB Entry DOI: 10.7270/Q28P624W
More data for this
Ligand-Target Pair