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PubMed code 28574706

Compile data set for download or QSAR
Found 31 hits of Enzyme Inhibition Constant Data   
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
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))		BDBM9049
PNG
(US11419874, Example 15 | US8829010, 35 | US8829010...)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/a 1.60n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130958
PNG
(US8829010, 9)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12
Show InChI InChI=1S/C21H23N7/c1-4-14-6-8-15(9-7-14)19-16(12-24-26(19)2)18-17-20(27(3)25-18)22-13-23-21(17)28-10-5-11-28/h6-9,12-13H,4-5,10-11H2,1-3H3
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n/an/a 2n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130982
PNG
(US8829010, 33)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C1CC1
Show InChI InChI=1S/C22H23N7/c1-27-20(16-8-6-15(7-9-16)14-4-5-14)17(12-25-27)19-18-21(28(2)26-19)23-13-24-22(18)29-10-3-11-29/h6-9,12-14H,3-5,10-11H2,1-2H3
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n/an/a 3.40n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130966
PNG
(US8829010, 17)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC(C3)NC(=O)OC)c12
Show InChI InChI=1S/C23H26N8O2/c1-5-14-6-8-15(9-7-14)20-17(10-26-29(20)2)19-18-21(30(3)28-19)24-13-25-22(18)31-11-16(12-31)27-23(32)33-4/h6-10,13,16H,5,11-12H2,1-4H3,(H,27,32)
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
The inhibition activity of 5-HT1A at 1 uM

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
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 4.70n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE2A (unknown origin)

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))		BDBM130956
PNG
(US8829010, 7)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC[C@H](C3)N(C)C)c12 |r|
Show InChI InChI=1S/C24H30N8/c1-6-16-7-9-17(10-8-16)22-19(13-27-30(22)4)21-20-23(31(5)28-21)25-15-26-24(20)32-12-11-18(14-32)29(2)3/h7-10,13,15,18H,6,11-12,14H2,1-5H3/t18-/m1/s1
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n/an/a 4.90n/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))		BDBM130989
PNG
(US8829010, 40)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CC(C3)OC)c12
Show InChI InChI=1S/C22H25N7O/c1-5-14-6-8-15(9-7-14)20-17(10-25-27(20)2)19-18-21(28(3)26-19)23-13-24-22(18)29-11-16(12-29)30-4/h6-10,13,16H,5,11-12H2,1-4H3
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n/an/a 5.80n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239842
PNG
(CHEMBL4085594)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(CC)cc3)n12
Show InChI InChI=1S/C20H22N6O/c1-4-10-27-18-13-21-12-17-23-24-20(26(17)18)16-11-22-25(3)19(16)15-8-6-14(5-2)7-9-15/h6-9,11-13H,4-5,10H2,1-3H3
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n/an/a 7.10n/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))		BDBM50239841
PNG
(CHEMBL4101083)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCCC3)c12
Show InChI InChI=1S/C22H25N7/c1-4-15-7-9-16(10-8-15)20-17(13-25-27(20)2)19-18-21(28(3)26-19)23-14-24-22(18)29-11-5-6-12-29/h7-10,13-14H,4-6,11-12H2,1-3H3
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n/an/a 7.80n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130953
PNG
(US8829010, 4)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cn1)C(F)(F)F
Show InChI InChI=1S/C19H17F3N8/c1-28-16(13-5-4-11(8-23-13)19(20,21)22)12(9-26-28)15-14-17(29(2)27-15)24-10-25-18(14)30-6-3-7-30/h4-5,8-10H,3,6-7H2,1-2H3
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n/an/a 8.90n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130986
PNG
(US8829010, 37)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cn1)C1CC1
Show InChI InChI=1S/C21H22N8/c1-27-19(16-7-6-14(10-22-16)13-4-5-13)15(11-25-27)18-17-20(28(2)26-18)23-12-24-21(17)29-8-3-9-29/h6-7,10-13H,3-5,8-9H2,1-2H3
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n/an/a 8.90n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239845
PNG
(CHEMBL4083369)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(cc3)C(F)(F)F)n12
Show InChI InChI=1S/C19H17F3N6O/c1-3-8-29-16-11-23-10-15-25-26-18(28(15)16)14-9-24-27(2)17(14)12-4-6-13(7-5-12)19(20,21)22/h4-7,9-11H,3,8H2,1-2H3
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n/an/a 9.70n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM130951
PNG
(US8829010, 1)
Show SMILES Cc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCC3)c12
Show InChI InChI=1S/C20H21N7/c1-13-5-7-14(8-6-13)18-15(11-23-25(18)2)17-16-19(26(3)24-17)21-12-22-20(16)27-9-4-10-27/h5-8,11-12H,4,9-10H2,1-3H3
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n/an/a 18n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239847
PNG
(CHEMBL4080861)
Show SMILES COc1ccccc1CCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(cc3)C(F)(F)F)n12
Show InChI InChI=1S/C24H19F3N6O2/c1-34-19-5-3-2-4-15(19)10-11-35-21-14-28-13-20-30-32-23(33(20)21)18-12-29-31-22(18)16-6-8-17(9-7-16)24(25,26)27/h2-9,12-14H,10-11H2,1H3,(H,29,31)
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n/an/a 24n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239846
PNG
(CHEMBL4070209)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(C)cc3)n12
Show InChI InChI=1S/C19H20N6O/c1-4-9-26-17-12-20-11-16-22-23-19(25(16)17)15-10-21-24(3)18(15)14-7-5-13(2)6-8-14/h5-8,10-12H,4,9H2,1-3H3
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n/an/a 28n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Affinity for adenosine A1 receptor using [3H]N6-(phenylisopropyl)adenosine (R)-[3H]-PIA as a radioligand in rat brain.

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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239850
PNG
(CHEMBL4095252)
Show SMILES COc1ccc(OC2CN(C2)c2ncnc3n(C)nc(CC(C)C)c23)cc1
Show InChI InChI=1S/C20H25N5O2/c1-13(2)9-17-18-19(24(3)23-17)21-12-22-20(18)25-10-16(11-25)27-15-7-5-14(26-4)6-8-15/h5-8,12-13,16H,9-11H2,1-4H3
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n/an/a 67n/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))		BDBM50239843
PNG
(CHEMBL4099808)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(OC)cc3)n12
Show InChI InChI=1S/C19H20N6O2/c1-4-9-27-17-12-20-11-16-22-23-19(25(16)17)15-10-21-24(2)18(15)13-5-7-14(26-3)8-6-13/h5-8,10-12H,4,9H2,1-3H3
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n/an/a 109n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239848
PNG
(CHEMBL4098897)
Show SMILES CCCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(cc3)C(F)(F)F)n12
Show InChI InChI=1S/C18H15F3N6O/c1-2-7-28-15-10-22-9-14-24-26-17(27(14)15)13-8-23-25-16(13)11-3-5-12(6-4-11)18(19,20)21/h3-6,8-10H,2,7H2,1H3,(H,23,25)
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n/an/a 115n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239852
PNG
(CHEMBL4073717)
Show SMILES CC(C)Cc1nn(C)c2ncnc(N3Cc4ccccc4C3)c12
Show InChI InChI=1S/C18H21N5/c1-12(2)8-15-16-17(22(3)21-15)19-11-20-18(16)23-9-13-6-4-5-7-14(13)10-23/h4-7,11-12H,8-10H2,1-3H3
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n/an/a 146n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239838
PNG
(CHEMBL4071586)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccccc1
Show InChI InChI=1S/C19H19N7/c1-24-17(13-7-4-3-5-8-13)14(11-22-24)16-15-18(25(2)23-16)20-12-21-19(15)26-9-6-10-26/h3-5,7-8,11-12H,6,9-10H2,1-2H3
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n/an/a 189n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239855
PNG
(CHEMBL4072920)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccc(F)cc3)n12
Show InChI InChI=1S/C18H17FN6O/c1-3-8-26-16-11-20-10-15-22-23-18(25(15)16)14-9-21-24(2)17(14)12-4-6-13(19)7-5-12/h4-7,9-11H,3,8H2,1-2H3
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n/an/a 241n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239853
PNG
(CHEMBL4091149)
Show SMILES CCCOc1cncc2nnc(-c3c[nH]nc3-c3ccc(C)cc3)n12
Show InChI InChI=1S/C18H18N6O/c1-3-8-25-16-11-19-10-15-21-23-18(24(15)16)14-9-20-22-17(14)13-6-4-12(2)5-7-13/h4-7,9-11H,3,8H2,1-2H3,(H,20,22)
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n/an/a 298n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239851
PNG
(CHEMBL4074798)
Show SMILES COc1ccccc1CCOc1cncc2nnc(CC(C)C)n12
Show InChI InChI=1S/C18H22N4O2/c1-13(2)10-16-20-21-17-11-19-12-18(22(16)17)24-9-8-14-6-4-5-7-15(14)23-3/h4-7,11-13H,8-10H2,1-3H3
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n/an/a 390n/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))		BDBM50239840
PNG
(CHEMBL4093342)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCOCC3)c12
Show InChI InChI=1S/C22H25N7O/c1-4-15-5-7-16(8-6-15)20-17(13-25-27(20)2)19-18-21(28(3)26-19)23-14-24-22(18)29-9-11-30-12-10-29/h5-8,13-14H,4,9-12H2,1-3H3
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n/an/a 423n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239844
PNG
(CHEMBL4061541)
Show SMILES CCCOc1cncc2nnc(-c3cnn(C)c3-c3ccccc3)n12
Show InChI InChI=1S/C18H18N6O/c1-3-9-25-16-12-19-11-15-21-22-18(24(15)16)14-10-20-23(2)17(14)13-7-5-4-6-8-13/h4-8,10-12H,3,9H2,1-2H3
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n/an/a 566n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239837
PNG
(CHEMBL4076928)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ncc(cn1)C1CC1
Show InChI InChI=1S/C20H21N9/c1-27-17(18-21-8-13(9-22-18)12-4-5-12)14(10-25-27)16-15-19(28(2)26-16)23-11-24-20(15)29-6-3-7-29/h8-12H,3-7H2,1-2H3
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n/an/a 1.01E+3n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239839
PNG
(CHEMBL4065726)
Show SMILES CCc1ccc(cc1)-c1c(cnn1C)-c1nn(C)c2ncnc(N3CCN(C)CC3)c12
Show InChI InChI=1S/C23H28N8/c1-5-16-6-8-17(9-7-16)21-18(14-26-29(21)3)20-19-22(30(4)27-20)24-15-25-23(19)31-12-10-28(2)11-13-31/h6-9,14-15H,5,10-13H2,1-4H3
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n/an/a 1.41E+3n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239854
PNG
(CHEMBL4060508)
Show SMILES FC(F)(F)c1ccc(cc1)-c1n[nH]cc1-c1nnc2cnccn12
Show InChI InChI=1S/C15H9F3N6/c16-15(17,18)10-3-1-9(2-4-10)13-11(7-20-22-13)14-23-21-12-8-19-5-6-24(12)14/h1-8H,(H,20,22)
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n/an/a 2.11E+3n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM50239849
PNG
(CHEMBL4088741)
Show SMILES CCCOc1cncc2nnc(CC(C)C)n12
Show InChI InChI=1S/C12H18N4O/c1-4-5-17-12-8-13-7-11-15-14-10(16(11)12)6-9(2)3/h7-9H,4-6H2,1-3H3
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n/an/a 5.32E+3n/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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)		BDBM9049
PNG
(US11419874, Example 15 | US8829010, 35 | US8829010...)
Show SMILES Cn1ncc(-c2nn(C)c3ncnc(N4CCC4)c23)c1-c1ccc(cc1)C(F)(F)F
Show InChI InChI=1S/C20H18F3N7/c1-28-17(12-4-6-13(7-5-12)20(21,22)23)14(10-26-28)16-15-18(29(2)27-16)24-11-25-19(15)30-8-3-9-30/h4-7,10-11H,3,8-9H2,1-2H3
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n/an/an/a 2.80n/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity to PDE2A in rat striatal membranes after 30 mins by liquid scintillation counting method

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
* indicates data uncertainty>20%