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Compile Data Set for Download or QSAR

Found 2430 hits of ic50 for UniProtKB: O00408   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263751
PNG
(CHEMBL4071033)
Show SMILES Cc1nn(C)c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.9,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.04,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.68,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.73,-19.28,;15.64,-18.19,;16.34,-16.5,)|
Show InChI InChI=1S/C19H15F5N6O/c1-8-12(14(29(3)27-8)10-4-6-11(7-5-10)19(22,23)24)17-26-13(16(20)21)15-18(31)25-9(2)28-30(15)17/h4-7,16H,1-3H3,(H,25,28,31)
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n/an/a 0.0600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263733
PNG
(CHEMBL4077126)
Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(C)c1)C(F)(F)F |(23.41,-12.38,;22.16,-13.28,;22.15,-14.82,;20.68,-15.29,;20.21,-16.76,;19.79,-14.04,;20.69,-12.8,;20.22,-11.33,;21.13,-10.09,;20.23,-8.84,;20.71,-7.38,;18.76,-9.32,;18.75,-10.85,;17.42,-11.62,;16.09,-10.85,;14.75,-11.61,;16.1,-9.3,;17.43,-8.54,;17.44,-7,;18.24,-14.04,;17.48,-12.71,;15.94,-12.7,;15.16,-14.03,;15.94,-15.36,;15.15,-16.7,;17.47,-15.37,;13.62,-14.02,;13.61,-15.56,;12.28,-14.78,;12.86,-12.69,)|
Show InChI InChI=1S/C20H19F3N6O/c1-9-8-13(6-7-14(9)20(21,22)23)17-15(10(2)26-28(17)5)18-24-11(3)16-19(30)25-12(4)27-29(16)18/h6-8H,1-5H3,(H,25,27,30)
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n/an/a 0.160n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263737
PNG
(CHEMBL4076642)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(C)c1)C(F)(F)F |(22.5,-11.05,;21.25,-11.96,;21.24,-13.49,;19.77,-13.97,;19.29,-15.43,;18.87,-12.72,;19.78,-11.47,;19.31,-10.01,;20.21,-8.77,;19.32,-7.51,;19.79,-6.05,;18.77,-4.91,;17.85,-7.99,;17.84,-9.52,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.51,-7.21,;16.52,-5.67,;17.33,-12.72,;16.56,-11.38,;15.02,-11.38,;14.25,-12.71,;15.02,-14.04,;14.24,-15.38,;16.55,-14.05,;12.7,-12.7,;12.69,-14.23,;11.36,-13.46,;11.94,-11.37,)|
Show InChI InChI=1S/C20H19F3N6O2/c1-9-7-12(5-6-13(9)20(21,22)23)16-15(10(2)26-28(16)4)18-25-14(8-30)17-19(31)24-11(3)27-29(17)18/h5-7,30H,8H2,1-4H3,(H,24,27,31)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171943
PNG
(US9085584, 113)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)8-7-18(26-22)14-3-4-14)16-11-15(5-6-17(16)24)23(30)9-2-10-31-12-23/h5-8,11,14,30H,2-4,9-10,12H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263752
PNG
(CHEMBL4092829)
Show SMILES Cc1n[nH]c(c1-c1nc(C(F)F)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(26.88,-15.97,;25.65,-16.89,;25.67,-18.43,;24.22,-18.93,;23.29,-17.7,;24.18,-16.44,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.6,-10.75,;22.18,-12.99,;22.2,-14.53,;20.88,-15.33,;19.54,-14.58,;18.22,-15.37,;19.51,-13.03,;20.83,-12.25,;20.81,-10.71,;21.75,-17.73,;21.01,-19.07,;19.47,-19.1,;18.67,-17.78,;19.42,-16.43,;20.96,-16.41,;17.13,-17.8,;16.72,-19.28,;15.64,-18.19,;16.34,-16.49,)|
Show InChI InChI=1S/C18H13F5N6O/c1-7-11(12(27-26-7)9-3-5-10(6-4-9)18(21,22)23)16-25-13(15(19)20)14-17(30)24-8(2)28-29(14)16/h3-6,15H,1-2H3,(H,26,27)(H,24,28,30)
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n/an/a 0.230n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425140
PNG
(CHEMBL2313250)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4c(Cl)cccc4Cl)n3c2c1 |(41.13,-18.18,;39.8,-18.95,;38.47,-18.18,;37.13,-18.95,;37.14,-20.49,;35.8,-18.19,;34.46,-18.96,;33.13,-18.19,;33.13,-16.64,;31.79,-15.89,;31.79,-14.35,;30.45,-13.58,;33.12,-13.58,;33.44,-12.07,;34.97,-11.9,;35.6,-13.31,;37.1,-13.63,;38.12,-12.48,;37.64,-11.02,;39.63,-12.79,;40.11,-14.26,;39.08,-15.41,;37.58,-15.09,;36.55,-16.24,;34.45,-14.34,;34.46,-15.87,;35.79,-16.64,)|
Show InChI InChI=1S/C19H15Cl2N5O/c1-3-22-19(27)11-7-8-14-15(9-11)26-17(10(2)23-14)24-25-18(26)16-12(20)5-4-6-13(16)21/h4-9H,3H2,1-2H3,(H,22,27)
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n/an/a 0.280n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay

Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425143
PNG
(CHEMBL2313247 | US11419874, Example 11)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
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n/an/a 0.290n/an/an/an/an/an/a


TBA

Assay Description
Isolated cardiomyocytes were washed twice in PBS at room temperature, transferred to 4% paraformaldehyde (PFA) and gently shaken for 30 min, then was...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5XK9
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107776
PNG
(US8598155, 13)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H18F3N7/c1-12-27-16(18-19(29-8-3-9-29)24-11-26-30(12)18)15-10-25-28(2)17(15)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length human N-terminal FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate after 30 mins by SPA

J Med Chem 61: 1001-1018 (2018)


Article DOI: 10.1021/acs.jmedchem.7b01466
BindingDB Entry DOI: 10.7270/Q2ZS2ZZ4
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263791
PNG
(CHEMBL4062397)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)|
Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107776
PNG
(US8598155, 13)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C20H18F3N7/c1-12-27-16(18-19(29-8-3-9-29)24-11-26-30(12)18)15-10-25-28(2)17(15)13-4-6-14(7-5-13)20(21,22)23/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 0.303n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425132
PNG
(CHEMBL2313258)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCc1ccccc1
Show InChI InChI=1S/C24H18ClN5O/c1-15-22-28-29-23(18-9-5-6-10-19(18)25)30(22)21-13-17(11-12-20(21)27-15)24(31)26-14-16-7-3-2-4-8-16/h2-13H,14H2,1H3,(H,26,31)
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n/an/a 0.380n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay

Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263791
PNG
(CHEMBL4062397)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(22.28,-12.54,;21.03,-13.44,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;19.56,-12.96,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;17.62,-11.01,;16.28,-11.78,;14.95,-11.01,;13.61,-11.77,;14.96,-9.46,;16.29,-8.7,;16.3,-7.15,;17.11,-14.2,;16.33,-15.53,;14.8,-15.53,;14.02,-14.19,;14.8,-12.86,;16.34,-12.87,;12.47,-14.18,;12.47,-15.72,;11.14,-14.94,;11.72,-12.85,)|
Show InChI InChI=1S/C19H17F3N6O2/c1-9-14(17-24-13(8-29)16-18(30)23-10(2)26-28(16)17)15(27(3)25-9)11-4-6-12(7-5-11)19(20,21)22/h4-7,29H,8H2,1-3H3,(H,23,26,30)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay

ACS Med Chem Lett 9: 68-72 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00343
BindingDB Entry DOI: 10.7270/Q2MG7S23
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425126
PNG
(CHEMBL2313231)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCc1ccccn1
Show InChI InChI=1S/C23H17ClN6O/c1-14-21-28-29-22(17-7-2-3-8-18(17)24)30(21)20-12-15(9-10-19(20)27-14)23(31)26-13-16-6-4-5-11-25-16/h2-12H,13H2,1H3,(H,26,31)
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n/an/a 0.420n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay

Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425127
PNG
(CHEMBL2313263)
Show SMILES Cc1nc2ccc(cc2n2c(nnc12)-c1ccccc1Cl)C(=O)NCCN1CCOCC1
Show InChI InChI=1S/C23H23ClN6O2/c1-15-21-27-28-22(17-4-2-3-5-18(17)24)30(21)20-14-16(6-7-19(20)26-15)23(31)25-8-9-29-10-12-32-13-11-29/h2-7,14H,8-13H2,1H3,(H,25,31)
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n/an/a 0.470n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay

Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of full length recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 5673-5698 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00397
BindingDB Entry DOI: 10.7270/Q2VX0JNT
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50407411
PNG
(CHEMBL5268162)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(O)=O
Show InChI InChI=1S/C52H68N12O11/c1-27(2)20-39(46(69)59-38(51(74)75)14-9-19-56-52(54)55)61-48(71)41(22-30-25-57-36-12-7-5-10-33(30)36)63-50(73)44(28(3)4)64-49(72)42(23-31-26-58-37-13-8-6-11-34(31)37)62-47(70)40(21-29-15-17-32(65)18-16-29)60-45(68)35(53)24-43(66)67/h5-8,10-13,15-18,25-28,35,38-42,44,57-58,65H,9,14,19-24,53H2,1-4H3,(H,59,69)(H,60,68)(H,61,71)(H,62,70)(H,63,73)(H,64,72)(H,66,67)(H,74,75)(H4,54,55,56)/t35-,38-,39-,40-,41+,42+,44-/m0/s1
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n/an/a 0.510n/an/an/an/an/an/a


TBA

Assay Description
Activity at Histamine H1 receptor using functional H1 receptor assay on guinea pig ileum

Citation and Details
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107778
PNG
(US8598155, 15)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nc(C)n2ncnc(N3CCC3)c12
Show InChI InChI=1S/C21H23N7/c1-4-15-6-8-16(9-7-15)19-17(12-23-26(19)3)18-20-21(27-10-5-11-27)22-13-24-28(20)14(2)25-18/h6-9,12-13H,4-5,10-11H2,1-3H3
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n/an/a 0.517n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107849
PNG
(US8598155, 8)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(C)c1 |(6.83,-.36,;5.18,-1.42,;3.85,-.65,;2.52,-1.42,;1.18,-.65,;1.18,.89,;-.15,1.66,;-1.62,1.19,;-2.52,2.43,;-1.62,3.68,;-.15,3.2,;1.18,3.97,;-2.39,-.15,;-1.48,-1.39,;-2.39,-2.64,;-1.62,-3.97,;-3.85,-2.16,;-5.18,-2.93,;-6.52,-2.16,;-6.52,-.62,;-5.18,.15,;-5.18,1.69,;-6.52,2.46,;-5.75,3.79,;-4.41,3.02,;-3.85,-.62,;2.52,1.66,;2.52,3.2,;3.85,.89,)|
Show InChI InChI=1S/C21H23N7O/c1-13-10-15(29-4)6-7-16(13)19-17(11-23-26(19)3)18-20-21(27-8-5-9-27)22-12-24-28(20)14(2)25-18/h6-7,10-12H,5,8-9H2,1-4H3
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n/an/a 0.578n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50547789
PNG
(CHEMBL4794209)
Show SMILES C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1ccc2occc2c1 |r|
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n/an/a 0.600n/an/an/an/an/an/a


TBA

Assay Description
Inhibition of 6xHis-tagged human recombinant PDE2A expressed in Sf9 cells in presence of [3H]-cGMP and cGMP incubated for 40 mins by scintillation co...

Citation and Details

Article DOI: 10.1021/acs.jmedchem.0c01272
BindingDB Entry DOI: 10.7270/Q22Z194S
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50286695
PNG
(CHEMBL4160171)
Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cc1)C(F)(F)F |(18.8,-12.08,;20.34,-12.07,;21.23,-10.82,;22.7,-11.29,;23.94,-10.38,;22.71,-12.83,;21.25,-13.32,;20.78,-14.79,;21.69,-16.02,;20.8,-17.27,;21.28,-18.73,;19.33,-16.8,;19.33,-15.27,;18,-14.49,;16.67,-15.27,;15.33,-14.5,;16.67,-16.81,;18,-17.57,;18,-19.11,;23.95,-13.73,;23.8,-15.26,;25.05,-16.16,;26.45,-15.53,;26.6,-13.98,;25.35,-13.09,;27.7,-16.42,;27.55,-17.95,;29.11,-15.79,;29.03,-17.19,)|
Show InChI InChI=1S/C42H56N4O4/c1-28-18-19-32(41(50)45-21-20-30-14-8-10-16-33(30)25-45)23-35(28)39(48)43-36(22-29-12-6-5-7-13-29)38(47)27-46-26-34-17-11-9-15-31(34)24-37(46)40(49)44-42(2,3)4/h5-8,10,12-14,16,18-19,23,30-31,33-34,36-38,47H,9,11,15,17,20-22,24-27H2,1-4H3,(H,43,48)(H,44,49)/t30?,31-,33?,34+,36-,37-,38+/m0/s1
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n/an/a 0.600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate measured after 30 mins by Yttrium silicate scintillation proximity assay

ACS Med Chem Lett 9: 68-72 (2018)


Article DOI: 10.1021/acsmedchemlett.7b00343
BindingDB Entry DOI: 10.7270/Q2MG7S23
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50425143
PNG
(CHEMBL2313247 | US11419874, Example 11)
Show SMILES CCNC(=O)c1ccc2nc(C)c3nnc(-c4ccccc4Cl)n3c2c1
Show InChI InChI=1S/C19H16ClN5O/c1-3-21-19(26)12-8-9-15-16(10-12)25-17(11(2)22-15)23-24-18(25)13-6-4-5-7-14(13)20/h4-10H,3H2,1-2H3,(H,21,26)
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n/an/a 0.600n/an/an/an/an/an/a



Janssen-Cilag S.A.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE2A expressed in Sf9 cells by scintillation proximity assay

Bioorg Med Chem Lett 23: 785-90 (2013)


Article DOI: 10.1016/j.bmcl.2012.11.077
BindingDB Entry DOI: 10.7270/Q2C82BMR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258896
PNG
(CHEMBL4060569 | US11419874, TAK-915)
Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a


TBA

Assay Description
Isolated cardiomyocytes were washed twice in PBS at room temperature, transferred to 4% paraformaldehyde (PFA) and gently shaken for 30 min, then was...

Citation and Details

BindingDB Entry DOI: 10.7270/Q2CR5XK9
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50258896
PNG
(CHEMBL4060569 | US11419874, TAK-915)
Show SMILES COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c1ccc(OC(F)(F)F)c(F)c1 |r|
Show InChI InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1
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n/an/a 0.610n/an/an/an/an/an/a



Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50434022
PNG
(CHEMBL2381188 | US8598155, 52)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2)C(F)(F)F)c2c(ncnn12)N1CC(F)C1
Show InChI InChI=1S/C20H17F4N7/c1-11-28-16(18-19(25-10-27-31(11)18)30-8-14(21)9-30)15-7-26-29(2)17(15)12-3-5-13(6-4-12)20(22,23)24/h3-7,10,14H,8-9H2,1-2H3
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n/an/a 0.633n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM486490
PNG
(US10947239, Compound 1)
Show SMILES C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-11-4-5-27(19(29)14-6-12(2)25-13(3)7-14)9-15(11)17-8-16(18(21)22)26-20-23-10-24-28(17)20/h6-8,10-11,15,18H,4-5,9H2,1-3H3/t11-,15-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...

US Patent US10947239 (2021)


BindingDB Entry DOI: 10.7270/Q2765JF6
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107819
PNG
(US8598155, 57)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(Cl)c1 |(4.96,-4.08,;5.36,-2.59,;4.27,-1.5,;2.78,-1.9,;1.7,-.81,;2.09,.68,;1.01,1.77,;-.46,1.29,;-1.36,2.54,;-.46,3.78,;1.01,3.31,;2.34,4.08,;-1.23,-.04,;-.32,-1.29,;-1.23,-2.53,;-.46,-3.87,;-2.69,-2.06,;-4.03,-2.83,;-5.36,-2.06,;-5.36,-.52,;-4.03,.25,;-4.03,1.79,;-2.94,2.88,;-4.03,3.97,;-5.12,2.88,;-2.69,-.52,;3.58,1.08,;3.98,2.56,;4.67,-.01,)|
Show InChI InChI=1S/C20H20ClN7O/c1-12-25-17(19-20(27-7-4-8-27)22-11-24-28(12)19)15-10-23-26(2)18(15)14-6-5-13(29-3)9-16(14)21/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 0.761n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107773
PNG
(US8598155, 9)
Show SMILES CNc1ncnn2c(CO)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C18H16F3N7O/c1-22-17-16-14(26-13(8-29)28(16)25-9-23-17)12-7-24-27(2)15(12)10-3-5-11(6-4-10)18(19,20)21/h3-7,9,29H,8H2,1-2H3,(H,22,23,25)
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n/an/a 0.763n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM486490
PNG
(US10947239, Compound 1)
Show SMILES C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-11-4-5-27(19(29)14-6-12(2)25-13(3)7-14)9-15(11)17-8-16(18(21)22)26-20-23-10-24-28(17)20/h6-8,10-11,15,18H,4-5,9H2,1-3H3/t11-,15-/m1/s1
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n/an/a 0.776n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...

US Patent US10947239 (2021)


BindingDB Entry DOI: 10.7270/Q2765JF6
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50236228
PNG
(CHEMBL4076035 | US11186582, Example 6)
Show SMILES Cc1cc([C@H]2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1 |r|
Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3/t19-/m0/s1
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n/an/a 0.800n/an/an/an/an/an/a



Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...

J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107799
PNG
(US8598155, 36)
Show SMILES COc1ccc(-c2c(cnn2C)-c2nc(C)n3ncnc(N4CCC4)c23)c(F)c1 |(4.96,-4.08,;5.36,-2.59,;4.27,-1.5,;2.78,-1.9,;1.7,-.81,;2.09,.68,;1.01,1.77,;-.46,1.29,;-1.36,2.54,;-.46,3.78,;1.01,3.31,;2.34,4.08,;-1.23,-.04,;-.32,-1.29,;-1.23,-2.53,;-.46,-3.87,;-2.69,-2.06,;-4.03,-2.83,;-5.36,-2.06,;-5.36,-.52,;-4.03,.25,;-4.03,1.79,;-2.94,2.88,;-4.03,3.97,;-5.12,2.88,;-2.69,-.52,;3.58,1.08,;3.98,2.56,;4.67,-.01,)|
Show InChI InChI=1S/C20H20FN7O/c1-12-25-17(19-20(27-7-4-8-27)22-11-24-28(12)19)15-10-23-26(2)18(15)14-6-5-13(29-3)9-16(14)21/h5-6,9-11H,4,7-8H2,1-3H3
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n/an/a 0.825n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM486490
PNG
(US10947239, Compound 1)
Show SMILES C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-11-4-5-27(19(29)14-6-12(2)25-13(3)7-14)9-15(11)17-8-16(18(21)22)26-20-23-10-24-28(17)20/h6-8,10-11,15,18H,4-5,9H2,1-3H3/t11-,15-/m1/s1
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n/an/a 0.851n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...

US Patent US10947239 (2021)


BindingDB Entry DOI: 10.7270/Q2765JF6
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50166893
PNG
(2-(3,4-Dimethoxy-benzyl)-7-[(R)-1-((R)-1-hydroxy-e...)
Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@@H](C)O)cc1OC
Show InChI InChI=1S/C27H32N4O4/c1-17-25-27(33)29-24(16-20-13-14-22(34-3)23(15-20)35-4)30-31(25)26(28-17)21(18(2)32)12-8-11-19-9-6-5-7-10-19/h5-7,9-10,13-15,18,21,32H,8,11-12,16H2,1-4H3,(H,29,30,33)/t18-,21+/m1/s1
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n/an/a 0.860n/an/an/an/an/an/a



Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263793
PNG
(CHEMBL4073753)
Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.11,-16.14,;25.87,-17.05,;25.88,-18.59,;24.41,-19.07,;23.94,-20.54,;23.5,-17.82,;24.4,-16.58,;23.92,-15.11,;24.82,-13.86,;23.91,-12.62,;24.39,-11.16,;25.9,-10.84,;22.45,-13.1,;22.46,-14.64,;21.12,-15.42,;19.79,-14.65,;18.46,-15.42,;19.78,-13.11,;21.12,-12.34,;21.11,-10.8,;21.96,-17.83,;21.19,-16.5,;19.65,-16.51,;18.88,-17.84,;17.34,-17.85,;19.66,-19.17,;21.2,-19.16,)|
Show InChI InChI=1S/C18H17ClN6O2/c1-9-14(15(24(3)22-9)11-4-6-12(19)7-5-11)17-21-13(8-26)16-18(27)20-10(2)23-25(16)17/h4-7,26H,8H2,1-3H3,(H,20,23,27)
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n/an/a 0.920n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM486490
PNG
(US10947239, Compound 1)
Show SMILES C[C@@H]1CCN(C[C@H]1c1cc(nc2ncnn12)C(F)F)C(=O)c1cc(C)nc(C)c1 |r|
Show InChI InChI=1S/C20H22F2N6O/c1-11-4-5-27(19(29)14-6-12(2)25-13(3)7-14)9-15(11)17-8-16(18(21)22)26-20-23-10-24-28(17)20/h6-8,10-11,15,18H,4-5,9H2,1-3H3/t11-,15-/m1/s1
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n/an/a 0.950n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human recombinant PDE2A (hPDE2A) was expressed in Sf9 cells using a recombinant rPDE10A baculovirus construct. Cells were harvested after 48 h of inf...

US Patent US10947239 (2021)


BindingDB Entry DOI: 10.7270/Q2765JF6
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107814
PNG
(US8598155, 51)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cc2C#N)C(F)(F)F)c2c(ncnn12)N1CCC1 |(-1,-3.97,;-1.77,-2.64,;-.87,-1.39,;-1.77,-.15,;-1,1.19,;-1.91,2.43,;-1,3.68,;.46,3.2,;1.79,3.97,;.46,1.66,;1.55,.57,;1.15,-.91,;2.24,-2,;3.73,-1.6,;4.13,-.12,;3.04,.97,;3.44,2.46,;3.83,3.95,;4.82,-2.69,;5.91,-3.78,;3.73,-3.78,;5.91,-1.6,;-3.24,-.62,;-4.57,.15,;-5.91,-.62,;-5.91,-2.16,;-4.57,-2.93,;-3.24,-2.16,;-4.57,1.69,;-3.48,2.78,;-4.57,3.86,;-5.66,2.78,)|
Show InChI InChI=1S/C21H17F3N8/c1-12-29-17(19-20(31-6-3-7-31)26-11-28-32(12)19)16-10-27-30(2)18(16)15-5-4-14(21(22,23)24)8-13(15)9-25/h4-5,8,10-11H,3,6-7H2,1-2H3
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n/an/a 0.959n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107845
PNG
(US8598155, 83)
Show SMILES COC(=O)NC1CN(C1)c1ncnn2c(C)nc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)c12
Show InChI InChI=1S/C22H21F3N8O2/c1-12-29-17(16-8-27-31(2)18(16)13-4-6-14(7-5-13)22(23,24)25)19-20(26-11-28-33(12)19)32-9-15(10-32)30-21(34)35-3/h4-8,11,15H,9-10H2,1-3H3,(H,30,34)
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n/an/a 0.975n/an/an/an/an/an/a



Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50263792
PNG
(CHEMBL4091870)
Show SMILES Cc1nn2c(nc(C(F)F)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(18.22,-15.37,;19.54,-14.58,;20.88,-15.33,;22.2,-14.54,;23.68,-14.98,;24.56,-13.72,;23.64,-12.49,;24.09,-11.02,;23.1,-9.84,;25.61,-10.75,;22.18,-12.99,;20.84,-12.25,;20.81,-10.71,;19.52,-13.04,;24.18,-16.44,;25.66,-16.9,;26.89,-15.97,;26.7,-14.45,;25.68,-18.43,;24.22,-18.93,;23.77,-20.4,;23.3,-17.7,;21.76,-17.73,;21.01,-19.08,;19.47,-19.1,;18.68,-17.78,;19.43,-16.44,;20.96,-16.41,;17.13,-17.8,;16.73,-19.29,;15.65,-18.2,;16.34,-16.5,)|
Show InChI InChI=1S/C19H15F5N6O2/c1-8-25-18(32)15-13(16(20)21)26-17(30(15)27-8)12-11(7-31)28-29(2)14(12)9-3-5-10(6-4-9)19(22,23)24/h3-6,16,31H,7H2,1-2H3,(H,25,27,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human PDE2A1 using 3',5'-[3H]cGMP as substrate after 30 mins by scintillation proximity assay

J Med Chem 61: 3626-3640 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00116
BindingDB Entry DOI: 10.7270/Q2BV7K2X
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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Pharmaceutical Research Division, Takeda Pharmaceutical Company Limited , 26-1, Muraoka-Higashi 2-chome, Fujisawa, Kanagawa 251-8555, Japan.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

J Med Chem 60: 7658-7676 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00709
BindingDB Entry DOI: 10.7270/Q2TT4TD5
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107797
PNG
(US8598155, 34)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(Cl)cc2F)c2c(ncnn12)N1CCC1 |(-.46,-3.97,;-1.23,-2.64,;-.32,-1.39,;-1.23,-.15,;-.46,1.19,;-1.36,2.43,;-.46,3.68,;1.01,3.2,;2.34,3.97,;1.01,1.66,;2.09,.57,;1.7,-.91,;2.78,-2,;4.27,-1.6,;5.36,-2.69,;4.67,-.12,;3.58,.97,;3.98,2.46,;-2.69,-.62,;-4.03,.15,;-5.36,-.62,;-5.36,-2.16,;-4.03,-2.93,;-2.69,-2.16,;-4.03,1.69,;-2.94,2.78,;-4.03,3.86,;-5.12,2.78,)|
Show InChI InChI=1S/C19H17ClFN7/c1-11-25-16(18-19(27-6-3-7-27)22-10-24-28(11)18)14-9-23-26(2)17(14)13-5-4-12(20)8-15(13)21/h4-5,8-10H,3,6-7H2,1-2H3
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Pfizer Inc.

US Patent


Assay Description
The activity of the test substances on human full-length PDE2A3 enzyme was determined using the [3H]-cGMP scintillation proximity assay (SPA) modifie...

US Patent US8598155 (2013)


BindingDB Entry DOI: 10.7270/Q26T0K8C
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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Takeda Pharmaceutical Company Limited

Curated by ChEMBL


Assay Description
Inhibition of recombinant human FLAG-tagged PDE2A3 expressed in sf21 cells using [3H]cGMP as substrate by scintillation proximity assay

J Med Chem 60: 7677-7702 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00807
BindingDB Entry DOI: 10.7270/Q2P271JR
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50236235
PNG
(CHEMBL4066029 | US11186582, Example 4)
Show SMILES Cc1cc(C2CCCN(C2)C(=O)c2ccc3ccccc3c2)n2ncnc2n1
Show InChI InChI=1S/C22H21N5O/c1-15-11-20(27-22(25-15)23-14-24-27)19-7-4-10-26(13-19)21(28)18-9-8-16-5-2-3-6-17(16)12-18/h2-3,5-6,8-9,11-12,14,19H,4,7,10,13H2,1H3
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Dart Neuroscience LLC

Curated by ChEMBL


Assay Description
Inhibition of human full length GST-tagged PDE2a using FAM-labeled cAMP as substrate preincubated for 5 mins followed by substrate addition measured ...

J Med Chem 60: 2037-2051 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01793
BindingDB Entry DOI: 10.7270/Q2Q242GF
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171910
PNG
(US9085584, 69)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H24ClN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM566472
PNG
(3-(8-methoxy-1- methyl-2-oxo-7- phenyl-2,3-dihydro...)
Show SMILES COc1cc2N(C)C(=O)CN=C(c3cccc(c3)C(N)=O)c2cc1-c1ccccc1 |t:10|
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TBA

Assay Description
Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced contraction of rabbit thoracic aortic rings

Citation and Details
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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TBA

Assay Description
Antagonist activity at AT1 receptor assessed inhibition of angiotensin-2-induced contraction of rabbit thoracic aortic rings

Citation and Details
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171839
PNG
(US9085584, 9)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C1CC1
Show InChI InChI=1S/C18H14ClN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171935
PNG
(US9085584, 94)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOCC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM107767
PNG
(US11419874, PF-05180999 | US8598155, 2)
Show SMILES Cc1nc(-c2cnn(C)c2-c2ccc(cn2)C(F)(F)F)c2c(ncnn12)N1CCC1
Show InChI InChI=1S/C19H17F3N8/c1-11-27-15(17-18(29-6-3-7-29)24-10-26-30(11)17)13-9-25-28(2)16(13)14-5-4-12(8-23-14)19(20,21)22/h4-5,8-10H,3,6-7H2,1-2H3
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TBA



Citation and Details

Article DOI: 10.1016/j.ejmech.2022.114170
BindingDB Entry DOI: 10.7270/Q2RX9H3Q
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171932
PNG
(US9085584, 91)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22ClN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
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