Found 44 hits Enz. Inhib. hit(s) with all data for entry = 50000908 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50166893
(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 | PDB
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| n/a | n/a | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/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 Structure (crystal) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50263751
(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) | PDB
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| n/a | n/a | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 0.160 | n/a | n/a | n/a | n/a | n/a | n/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
(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) | PDB
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| n/a | n/a | 0.200 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263752
(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) | PDB
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| n/a | n/a | 0.230 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263791
(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) | PDB
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| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263793
(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) | PDB
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| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263792
(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) | PDB
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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)) | BDBM50263739
(CHEMBL4059875)Show SMILES Cc1n[nH]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,;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/C18H15F3N6O2/c1-8-13(14(25-24-8)10-3-5-11(6-4-10)18(19,20)21)16-23-12(7-28)15-17(29)22-9(2)26-27(15)16/h3-6,28H,7H2,1-2H3,(H,24,25)(H,22,26,29) | PDB
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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)) | BDBM50263785
(CHEMBL4069753)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCCc2ccccc2)[C@H](C)O)cc1OC |r| 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-/m0/s1 | PDB
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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)) | BDBM50263783
(CHEMBL4088306)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+,21?/m1/s1 | PDB
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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)) | BDBM50263783
(CHEMBL4088306)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+,21?/m1/s1 | PDB
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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)) | BDBM50263753
(CHEMBL4065163)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(Cl)cc1 |(27.17,-14.96,;25.93,-15.87,;25.94,-17.41,;24.48,-17.89,;24,-19.36,;23.56,-16.65,;24.46,-15.4,;23.98,-13.94,;24.88,-12.68,;23.98,-11.44,;24.45,-9.98,;22.51,-11.92,;22.52,-13.46,;21.19,-14.23,;19.85,-13.47,;18.52,-14.25,;19.84,-11.93,;21.17,-11.15,;21.17,-9.61,;22.02,-16.65,;21.26,-15.32,;19.72,-15.32,;18.94,-16.66,;17.4,-16.67,;19.72,-17.99,;21.26,-17.99,)| Show InChI InChI=1S/C18H17ClN6O/c1-9-14(16(24(4)22-9)12-5-7-13(19)8-6-12)17-20-10(2)15-18(26)21-11(3)23-25(15)17/h5-8H,1-4H3,(H,21,23,26) | PDB
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PubMed
| n/a | n/a | 3.10 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263784
(CHEMBL4096948)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(=O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H30N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20,32H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20+/m1/s1 | PDB
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| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263738
(CHEMBL4080264)Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(21.55,-5.75,;21.07,-7.21,;19.57,-7.53,;19.09,-9,;19.99,-10.25,;19.08,-11.49,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;21.02,-14.98,;19.55,-15.45,;19.07,-16.92,;18.65,-14.2,;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,;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,;17.62,-9.47,)| Show InChI InChI=1S/C20H19F3N6O2/c1-10-15(16(28(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-31-4)17-19(30)24-11(2)27-29(17)18/h5-8H,9H2,1-4H3,(H,24,27,30) | PDB
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| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263802
(CHEMBL4096035)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)cc1O |r| Show InChI InChI=1S/C26H30N4O5/c1-15-24-26(34)28-23(14-17-9-12-22(35-3)21(33)13-17)29-30(24)25(27-15)19(16(2)31)10-11-20(32)18-7-5-4-6-8-18/h4-9,12-13,16,19-20,31-33H,10-11,14H2,1-3H3,(H,28,29,34)/t16-,19+,20?/m1/s1 | PDB
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| n/a | n/a | 3.60 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263736
(CHEMBL4090571)Show SMILES Cc1cc(ccc1C(F)(F)F)-c1c(c(CO)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(14.24,-15.38,;15.02,-14.04,;16.56,-14.05,;17.33,-12.72,;16.57,-11.38,;15.02,-11.38,;14.25,-12.71,;12.7,-12.7,;12.69,-14.24,;11.36,-13.46,;11.94,-11.37,;18.87,-12.72,;19.78,-11.47,;21.25,-11.96,;22.5,-11.05,;23.9,-11.68,;21.24,-13.5,;19.77,-13.97,;19.3,-15.44,;19.31,-10.01,;20.22,-8.77,;19.32,-7.52,;19.8,-6.05,;18.77,-4.91,;17.85,-7.99,;17.84,-9.53,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.52,-7.22,;16.52,-5.67,)| Show InChI InChI=1S/C20H19F3N6O3/c1-9-6-11(4-5-12(9)20(21,22)23)16-15(13(7-30)27-28(16)3)18-25-14(8-31)17-19(32)24-10(2)26-29(17)18/h4-6,30-31H,7-8H2,1-3H3,(H,24,26,32) | PDB
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| n/a | n/a | 5.90 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263746
(CHEMBL4084107)Show SMILES COCc1nc(-c2c(C)nn(C)c2-c2ccc(cc2)C(F)(F)F)n2[n+]([O-])c(C)[nH]c(=O)c12 |(21.51,-4.74,;21.03,-6.2,;19.53,-6.52,;19.06,-7.99,;19.95,-9.23,;19.05,-10.48,;19.52,-12.93,;20.98,-13.42,;22.23,-12.51,;20.98,-14.95,;19.51,-15.42,;19.03,-16.88,;18.61,-14.17,;17.07,-14.17,;16.3,-15.5,;14.77,-15.5,;14,-14.16,;14.77,-12.84,;16.31,-12.84,;12.45,-14.15,;12.44,-15.69,;11.12,-14.91,;11.69,-12.83,;17.58,-9.99,;16.25,-10.76,;16.25,-12.31,;14.92,-9.99,;13.59,-10.75,;14.93,-8.45,;16.26,-7.69,;16.27,-6.14,;17.59,-8.46,)| Show InChI InChI=1S/C20H19F3N6O3/c1-10-15(16(27(3)26-10)12-5-7-13(8-6-12)20(21,22)23)18-25-14(9-32-4)17-19(30)24-11(2)29(31)28(17)18/h5-8H,9H2,1-4H3,(H,24,30) | PDB
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| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263740
(CHEMBL4088142)Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cc1)C(F)(F)F |(13.61,-11.77,;14.95,-11.01,;16.28,-11.78,;17.62,-11.01,;19.08,-11.49,;19.99,-10.25,;19.09,-9,;19.57,-7.53,;21.07,-7.21,;17.62,-9.47,;16.29,-8.7,;16.3,-7.15,;14.96,-9.46,;19.56,-12.96,;21.03,-13.44,;22.28,-12.54,;23.68,-13.16,;21.02,-14.98,;19.55,-15.45,;19.07,-16.91,;18.65,-14.2,;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/C19H17F3N6O3/c1-9-23-18(31)16-13(8-30)24-17(28(16)25-9)14-12(7-29)26-27(2)15(14)10-3-5-11(6-4-10)19(20,21)22/h3-6,29-30H,7-8H2,1-2H3,(H,23,25,31) | PDB
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| n/a | n/a | 9.20 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263782
(CHEMBL4076399)Show SMILES COc1cc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@@H](C)O)ccc1O |r| Show InChI InChI=1S/C26H30N4O5/c1-15-24-26(34)28-23(14-17-9-11-21(33)22(13-17)35-3)29-30(24)25(27-15)19(16(2)31)10-12-20(32)18-7-5-4-6-8-18/h4-9,11,13,16,19-20,31-33H,10,12,14H2,1-3H3,(H,28,29,34)/t16-,19+,20?/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 9.30 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263787
(CHEMBL4069911)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1 | PDB
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| PC cid
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| Article
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| n/a | n/a | 9.35 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263787
(CHEMBL4069911)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20-21,32-33H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-,21?/m0/s1 | PDB
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| Article
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| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263765
(CHEMBL4074834)Show SMILES COc1ccc(cn1)-c1c(c(C)nn1C)-c1nc(C)c2n1nc(C)[nH]c2=O |(17.03,-22.44,;17.8,-21.11,;19.35,-21.11,;20.11,-19.77,;21.66,-19.77,;22.43,-21.11,;21.66,-22.44,;20.11,-22.44,;23.97,-21.11,;24.88,-19.86,;26.34,-20.33,;27.59,-19.43,;26.34,-21.88,;24.88,-22.35,;24.4,-23.82,;24.4,-18.39,;25.31,-17.14,;24.4,-15.9,;24.88,-14.43,;22.93,-16.37,;22.93,-17.92,;21.6,-18.69,;20.26,-17.92,;18.93,-18.69,;20.26,-16.37,;21.6,-15.61,;21.6,-14.06,)| Show InChI InChI=1S/C18H19N7O2/c1-9-14(16(24(4)22-9)12-6-7-13(27-5)19-8-12)17-20-10(2)15-18(26)21-11(3)23-25(15)17/h6-8H,1-5H3,(H,21,23,26) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263777
(CHEMBL4077939)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(28.74,-15.37,;27.5,-16.28,;27.49,-17.82,;26.03,-18.29,;25.55,-19.75,;25.13,-17.04,;26.03,-15.8,;25.56,-14.33,;26.47,-13.09,;25.57,-11.84,;26.05,-10.38,;24.1,-12.32,;24.1,-13.86,;22.77,-14.62,;21.43,-13.85,;20.1,-14.62,;21.44,-12.31,;22.77,-11.55,;22.77,-10.01,;23.59,-17.04,;22.82,-18.37,;21.28,-18.37,;20.51,-17.03,;21.28,-15.7,;22.82,-15.7,;18.97,-17.03,;18.96,-18.57,;17.63,-17.79,;18.21,-15.69,)| Show InChI InChI=1S/C18H16F3N7O/c1-8-13(16-23-9(2)14-17(29)24-10(3)26-28(14)16)15(27(4)25-8)12-6-5-11(7-22-12)18(19,20)21/h5-7H,1-4H3,(H,24,26,29) | PDB
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| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263735
(CHEMBL4075381)Show SMILES Cc1nn(C)c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)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,;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,;12.7,-15.37,;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/c1-9-15(18-24-10(2)16-19(31)25-11(3)27-29(16)18)17(28(4)26-9)12-5-6-14(20(21,22)23)13(7-12)8-30/h5-7,30H,8H2,1-4H3,(H,25,27,31) | PDB
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| n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263788
(CHEMBL4064040)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(=O)c2ccccc2)[C@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H30N4O5/c1-16-25-27(34)29-24(15-18-10-13-22(35-3)23(14-18)36-4)30-31(25)26(28-16)20(17(2)32)11-12-21(33)19-8-6-5-7-9-19/h5-10,13-14,17,20,32H,11-12,15H2,1-4H3,(H,29,30,34)/t17-,20-/m0/s1 | PDB
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| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263780
(CHEMBL4093549)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(cn1)C(F)(F)F |(26.28,-13.87,;25.04,-14.78,;25.04,-16.32,;23.57,-16.79,;23.1,-18.25,;22.67,-15.54,;23.58,-14.3,;23.1,-12.83,;24.01,-11.59,;23.11,-10.34,;23.59,-8.88,;22.57,-7.73,;21.64,-10.82,;21.64,-12.36,;20.31,-13.12,;18.98,-12.35,;17.65,-13.12,;18.98,-10.81,;20.31,-10.05,;20.31,-8.51,;21.13,-15.54,;20.36,-16.87,;18.82,-16.87,;18.06,-15.53,;18.83,-14.2,;20.37,-14.2,;16.51,-15.53,;16.51,-17.07,;15.18,-16.29,;15.75,-14.19,)| Show InChI InChI=1S/C18H16F3N7O2/c1-8-13(16-24-12(7-29)15-17(30)23-9(2)26-28(15)16)14(27(3)25-8)11-5-4-10(6-22-11)18(19,20)21/h4-6,29H,7H2,1-3H3,(H,23,26,30) | PDB
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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)) | BDBM50263776
(CHEMBL4095982)Show SMILES COc1ccc(cn1)-c1c(c(C)nn1C)-c1nc(CO)c2n1nc(C)[nH]c2=O |(15.41,-17.93,;16.18,-16.6,;17.72,-16.58,;18.48,-15.24,;20.02,-15.24,;20.8,-16.56,;20.04,-17.9,;18.49,-17.91,;22.34,-16.55,;23.24,-15.3,;24.71,-15.77,;25.95,-14.85,;24.72,-17.31,;23.26,-17.79,;22.79,-19.26,;22.75,-13.84,;23.64,-12.58,;22.73,-11.34,;23.2,-9.87,;22.16,-8.74,;21.27,-11.83,;21.28,-13.37,;19.95,-14.15,;18.61,-13.39,;17.29,-14.17,;18.61,-11.85,;19.94,-11.07,;19.92,-9.53,)| Show InChI InChI=1S/C18H19N7O3/c1-9-14(15(24(3)22-9)11-5-6-13(28-4)19-7-11)17-21-12(8-26)16-18(27)20-10(2)23-25(16)17/h5-7,26H,8H2,1-4H3,(H,20,23,27) | PDB
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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)) | BDBM50263734
(CHEMBL4066430)Show SMILES Cc1nn(C)c(c1-c1nc(CO)c2n1nc(C)[nH]c2=O)-c1ccc(c(CO)c1)C(F)(F)F |(23.43,-12.39,;22.18,-13.29,;22.18,-14.83,;20.71,-15.3,;20.23,-16.77,;19.81,-14.05,;20.71,-12.81,;20.24,-11.35,;21.15,-10.1,;20.25,-8.85,;20.73,-7.38,;19.7,-6.24,;18.78,-9.32,;18.77,-10.86,;17.44,-11.63,;16.11,-10.86,;14.77,-11.62,;16.11,-9.31,;17.45,-8.55,;17.46,-7.01,;18.26,-14.06,;17.5,-12.72,;15.95,-12.71,;15.18,-14.04,;15.95,-15.38,;15.17,-16.72,;13.63,-16.71,;17.49,-15.39,;13.63,-14.03,;13.62,-15.57,;12.3,-14.8,;12.87,-12.7,)| Show InChI InChI=1S/C20H19F3N6O3/c1-9-15(18-25-14(8-31)17-19(32)24-10(2)27-29(17)18)16(28(3)26-9)11-4-5-13(20(21,22)23)12(6-11)7-30/h4-6,30-31H,7-8H2,1-3H3,(H,24,27,32) | PDB
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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)) | BDBM50263754
(CHEMBL4100565)Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(Cl)cc2)n2nc(C)[nH]c(=O)c12 |(26.26,-9.92,;25.78,-11.39,;26.7,-12.62,;25.8,-13.88,;26.28,-15.34,;27.74,-15.81,;28.99,-14.9,;30.4,-15.52,;27.75,-17.35,;26.29,-17.83,;25.82,-19.3,;25.38,-16.59,;23.84,-16.59,;23.06,-15.26,;21.52,-15.27,;20.76,-16.6,;19.22,-16.61,;21.53,-17.93,;23.07,-17.93,;24.33,-13.41,;23,-14.18,;21.67,-13.41,;20.33,-14.19,;21.66,-11.87,;22.99,-11.1,;22.98,-9.56,;24.32,-11.87,)| Show InChI InChI=1S/C18H17ClN6O2/c1-9-15-18(27)21-10(2)22-25(15)17(20-9)14-13(8-26)23-24(3)16(14)11-4-6-12(19)7-5-11/h4-7,26H,8H2,1-3H3,(H,21,22,27) | PDB
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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)) | BDBM50263790
(CHEMBL4103493)Show SMILES Cc1nc(-c2c(nn(C)c2-c2ccc(c(C)c2)C(F)(F)F)C(O)=O)n2nc(C)[nH]c(=O)c12 |(19.76,-6.04,;19.28,-7.5,;20.18,-8.75,;19.27,-9.99,;19.74,-11.45,;21.21,-11.94,;21.2,-13.47,;19.73,-13.94,;19.26,-15.41,;18.84,-12.69,;17.3,-12.7,;16.53,-11.36,;14.99,-11.36,;14.22,-12.68,;14.99,-14.02,;14.21,-15.35,;16.52,-14.02,;12.67,-12.67,;12.67,-14.21,;11.34,-13.43,;11.92,-11.35,;22.46,-11.03,;23.87,-11.66,;22.3,-9.49,;17.81,-9.51,;16.47,-10.28,;15.15,-9.5,;13.81,-10.27,;15.15,-7.96,;16.49,-7.2,;16.49,-5.66,;17.81,-7.97,)| Show InChI InChI=1S/C20H17F3N6O3/c1-8-7-11(5-6-12(8)20(21,22)23)16-13(14(19(31)32)27-28(16)4)17-24-9(2)15-18(30)25-10(3)26-29(15)17/h5-7H,1-4H3,(H,31,32)(H,25,26,30) | PDB
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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)) | BDBM50263767
(CHEMBL4103726)Show SMILES COc1ccc(cn1)-c1[nH]nc(C)c1-c1nc(CO)c2n1nc(C)[nH]c2=O |(18.86,-18.2,;19.63,-16.86,;21.17,-16.85,;21.93,-15.51,;23.47,-15.5,;24.25,-16.83,;23.49,-18.17,;21.94,-18.18,;25.79,-16.82,;26.71,-18.06,;28.17,-17.58,;28.16,-16.04,;29.4,-15.12,;26.69,-15.56,;26.2,-14.1,;27.09,-12.85,;26.18,-11.61,;26.65,-10.14,;28.17,-9.89,;24.72,-12.1,;24.73,-13.64,;23.4,-14.42,;22.07,-13.66,;20.74,-14.44,;22.06,-12.12,;23.39,-11.33,;23.37,-9.79,)| Show InChI InChI=1S/C17H17N7O3/c1-8-13(14(22-21-8)10-4-5-12(27-3)18-6-10)16-20-11(7-25)15-17(26)19-9(2)23-24(15)16/h4-6,25H,7H2,1-3H3,(H,21,22)(H,19,23,26) | PDB
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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)) | BDBM50263794
(CHEMBL4085803)Show SMILES COc1ccc(cn1)-c1[nH]nc(C)c1-c1nc(C)c2n1nc(C)[nH]c2=O |(17.57,-15.9,;18.34,-14.56,;19.88,-14.55,;20.64,-13.21,;22.18,-13.2,;22.96,-14.53,;22.2,-15.87,;20.65,-15.87,;24.5,-14.51,;25.42,-15.75,;26.88,-15.27,;26.87,-13.73,;28.11,-12.82,;25.4,-13.26,;24.91,-11.8,;25.8,-10.55,;24.89,-9.31,;25.36,-7.84,;23.43,-9.8,;23.44,-11.34,;22.11,-12.11,;20.77,-11.36,;19.45,-12.13,;20.77,-9.82,;22.09,-9.03,;22.08,-7.49,)| Show InChI InChI=1S/C17H17N7O2/c1-8-13(14(22-21-8)11-5-6-12(26-4)18-7-11)16-19-9(2)15-17(25)20-10(3)23-24(15)16/h5-7H,1-4H3,(H,21,22)(H,20,23,25) | PDB
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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)) | BDBM50263803
(CHEMBL4077994)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CC(O)C(O)c2ccccc2)[C@@H](C)O)cc1OC |r| Show InChI InChI=1S/C27H32N4O6/c1-15-24-27(35)29-23(13-17-10-11-21(36-3)22(12-17)37-4)30-31(24)26(28-15)19(16(2)32)14-20(33)25(34)18-8-6-5-7-9-18/h5-12,16,19-20,25,32-34H,13-14H2,1-4H3,(H,29,30,35)/t16-,19+,20?,25?/m1/s1 | PDB
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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)) | BDBM50263786
(CHEMBL4083117)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@H]([C@H](C)O)C(O)CC(O)c2ccccc2)cc1OC |r| Show InChI InChI=1S/C27H32N4O6/c1-15-25-27(35)29-23(13-17-10-11-21(36-3)22(12-17)37-4)30-31(25)26(28-15)24(16(2)32)20(34)14-19(33)18-8-6-5-7-9-18/h5-12,16,19-20,24,32-34H,13-14H2,1-4H3,(H,29,30,35)/t16-,19?,20?,24+/m0/s1 | PDB
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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)) | BDBM50263789
(CHEMBL4094751)Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(c(CO)c2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(19.8,-6.05,;19.32,-7.52,;20.22,-8.77,;19.31,-10.01,;19.78,-11.47,;21.25,-11.96,;22.5,-11.05,;22.34,-9.52,;21.24,-13.5,;19.77,-13.97,;19.3,-15.44,;18.87,-12.72,;17.33,-12.72,;16.57,-11.38,;15.02,-11.38,;14.25,-12.71,;15.02,-14.04,;14.24,-15.38,;12.7,-15.37,;16.56,-14.05,;12.7,-12.7,;12.69,-14.24,;11.36,-13.46,;11.94,-11.37,;17.84,-9.53,;16.5,-10.3,;15.17,-9.52,;13.84,-10.29,;15.18,-7.98,;16.52,-7.22,;16.52,-5.67,;17.85,-7.99,)| Show InChI InChI=1S/C20H19F3N6O3/c1-9-16-19(32)25-10(2)26-29(16)18(24-9)15-14(8-31)27-28(3)17(15)11-4-5-13(20(21,22)23)12(6-11)7-30/h4-6,30-31H,7-8H2,1-3H3,(H,25,26,32) | PDB
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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)) | BDBM50263778
(CHEMBL4101283)Show SMILES Cc1nc(-c2c(CO)nn(C)c2-c2ccc(cn2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(25.93,-10.64,;25.45,-12.11,;26.35,-13.36,;25.44,-14.6,;25.92,-16.06,;27.38,-16.54,;28.62,-15.64,;28.46,-14.11,;27.38,-18.08,;25.91,-18.55,;25.44,-20.01,;25.01,-17.31,;23.47,-17.3,;22.7,-18.63,;21.16,-18.63,;20.39,-17.3,;21.17,-15.96,;22.71,-15.97,;18.85,-17.29,;18.85,-18.83,;17.52,-18.05,;18.09,-15.96,;23.98,-14.12,;22.65,-14.89,;21.32,-14.11,;19.99,-14.88,;21.32,-12.58,;22.65,-11.81,;22.65,-10.27,;23.98,-12.58,)| Show InChI InChI=1S/C18H16F3N7O2/c1-8-14-17(30)24-9(2)25-28(14)16(23-8)13-12(7-29)26-27(3)15(13)11-5-4-10(6-22-11)18(19,20)21/h4-6,29H,7H2,1-3H3,(H,24,25,30) | PDB
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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)) | BDBM50263801
(CHEMBL4061248)Show SMILES COc1ccc(Cc2nn3c(nc(C)c3c(=O)[nH]2)[C@@H](CCC(O)c2ccccc2)[C@H](C)O)cc1O |r| Show InChI InChI=1S/C26H30N4O5/c1-15-24-26(34)28-23(14-17-9-12-22(35-3)21(33)13-17)29-30(24)25(27-15)19(16(2)31)10-11-20(32)18-7-5-4-6-8-18/h4-9,12-13,16,19-20,31-33H,10-11,14H2,1-3H3,(H,28,29,34)/t16-,19-,20?/m0/s1 | PDB
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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)) | BDBM50263795
(CHEMBL4074575)Show SMILES Cc1nn2c(nc(CO)c2c(=O)[nH]1)-c1c(CO)nn(C)c1-c1ccc(cn1)C(F)(F)F |(19.82,-14.76,;21.15,-14,;22.48,-14.77,;23.81,-14,;25.27,-14.48,;26.18,-13.24,;25.28,-11.99,;25.76,-10.53,;27.27,-10.22,;23.81,-12.47,;22.48,-11.69,;22.48,-10.15,;21.15,-12.46,;25.75,-15.94,;27.21,-16.43,;28.45,-15.52,;28.29,-13.99,;27.21,-17.97,;25.74,-18.43,;25.27,-19.9,;24.84,-17.19,;23.3,-17.19,;22.53,-18.51,;20.99,-18.52,;20.22,-17.18,;21,-15.85,;22.53,-15.85,;18.68,-17.18,;18.68,-18.71,;17.35,-17.94,;17.92,-15.84,)| Show InChI InChI=1S/C18H16F3N7O3/c1-8-23-17(31)15-12(7-30)24-16(28(15)25-8)13-11(6-29)26-27(2)14(13)10-4-3-9(5-22-10)18(19,20)21/h3-5,29-30H,6-7H2,1-2H3,(H,23,25,31) | PDB
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UniChem
Similars
| Article
PubMed
| n/a | n/a | 473 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263800
(CHEMBL4069698)Show SMILES Cc1nc(-c2cnn3CCN(CC4CCCC4)Cc23)c2n1nc[nH]c2=O Show InChI InChI=1S/C18H23N7O/c1-12-22-16(17-18(26)19-11-21-25(12)17)14-8-20-24-7-6-23(10-15(14)24)9-13-4-2-3-5-13/h8,11,13H,2-7,9-10H2,1H3,(H,19,21,26) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 792 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263779
(CHEMBL4065950)Show SMILES Cc1nc(-c2c(C=O)nn(C)c2-c2ccc(cn2)C(F)(F)F)n2nc(C)[nH]c(=O)c12 |(25.93,-10.64,;25.45,-12.11,;26.35,-13.36,;25.44,-14.6,;25.92,-16.06,;27.38,-16.54,;28.62,-15.64,;28.46,-14.11,;27.38,-18.08,;25.91,-18.55,;25.44,-20.01,;25.01,-17.31,;23.47,-17.3,;22.7,-18.63,;21.16,-18.63,;20.39,-17.3,;21.17,-15.96,;22.71,-15.97,;18.85,-17.29,;18.85,-18.83,;17.52,-18.05,;18.09,-15.96,;23.98,-14.12,;22.65,-14.89,;21.32,-14.11,;19.99,-14.88,;21.32,-12.58,;22.65,-11.81,;22.65,-10.27,;23.98,-12.58,)| Show InChI InChI=1S/C18H14F3N7O2/c1-8-14-17(30)24-9(2)25-28(14)16(23-8)13-12(7-29)26-27(3)15(13)11-5-4-10(6-22-11)18(19,20)21/h4-7H,1-3H3,(H,24,25,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263781
(CHEMBL4085864)Show SMILES Cc1nc(-c2cnn3CCN(CC4CCCC4O)Cc23)c2n1nc[nH]c2=O Show InChI InChI=1S/C18H23N7O2/c1-11-22-16(17-18(27)19-10-21-25(11)17)13-7-20-24-6-5-23(9-14(13)24)8-12-3-2-4-15(12)26/h7,10,12,15,26H,2-6,8-9H2,1H3,(H,19,21,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263766
(CHEMBL4095278)Show SMILES Cc1n[nH]c(c1-c1nc(C)c2n1nc(C)[nH]c2=O)-c1ccc(O)nc1 |(31.7,-13.41,;30.47,-14.33,;30.49,-15.87,;29.03,-16.36,;28.11,-15.13,;28.99,-13.87,;28.5,-12.41,;29.39,-11.16,;28.46,-9.92,;28.91,-8.45,;27,-10.42,;27.03,-11.96,;25.7,-12.75,;24.36,-12,;23.03,-12.78,;24.34,-10.45,;25.66,-9.66,;25.63,-8.13,;26.57,-15.16,;25.78,-13.83,;24.23,-13.85,;23.49,-15.2,;21.95,-15.22,;24.28,-16.52,;25.81,-16.5,)| Show InChI InChI=1S/C16H15N7O2/c1-7-12(13(21-20-7)10-4-5-11(24)17-6-10)15-18-8(2)14-16(25)19-9(3)22-23(14)15/h4-6H,1-3H3,(H,17,24)(H,20,21)(H,19,22,25) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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)) | BDBM50263781
(CHEMBL4085864)Show SMILES Cc1nc(-c2cnn3CCN(CC4CCCC4O)Cc23)c2n1nc[nH]c2=O Show InChI InChI=1S/C18H23N7O2/c1-11-22-16(17-18(27)19-10-21-25(11)17)13-7-20-24-6-5-23(9-14(13)24)8-12-3-2-4-15(12)26/h7,10,12,15,26H,2-6,8-9H2,1H3,(H,19,21,27) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/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 | |
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