Found 50 hits Enz. Inhib. hit(s) with all data for entry = 50009059 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-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525064
(CHEMBL4455533)Show SMILES CCCOc1ccc(NC(=O)[C@@H]2CCCN2C(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 |r| Show InChI InChI=1S/C24H32N4O4/c1-5-13-32-21-11-10-16(25-24(31)20-9-8-12-28(20)15(4)29)14-18(21)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14,20H,5-9,12-13H2,1-4H3,(H,25,31)(H,26,27,30)/t20-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
MCE PC cid PC sid PDB UniChem
| PDB Article PubMed
| n/a | n/a | 0.620 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525071
(CHEMBL4474634)Show SMILES CCCOc1ccc(NC(=O)C2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H34N4O3/c1-5-14-31-21-9-8-17(25-23(29)16-10-12-28(4)13-11-16)15-19(21)22-26-20(7-3)18(6-2)24(30)27-22/h8-9,15-16H,5-7,10-14H2,1-4H3,(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525067
(CHEMBL4444940)Show SMILES CCCOc1ccc(NC(=O)C(N)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C19H24N4O4/c1-4-9-27-15-8-7-11(21-19(26)16(20)24)10-13(15)17-22-14(6-3)12(5-2)18(25)23-17/h7-8,10H,4-6,9H2,1-3H3,(H2,20,24)(H,21,26)(H,22,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525069
(CHEMBL4467125)Show SMILES CCCOc1ccc(NC(=O)CCCNC(C)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C23H32N4O4/c1-5-13-31-20-11-10-16(25-21(29)9-8-12-24-15(4)28)14-18(20)22-26-19(7-3)17(6-2)23(30)27-22/h10-11,14H,5-9,12-13H2,1-4H3,(H,24,28)(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 0.920 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525061
(CHEMBL4468620)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N(CCO)CCN1CCOCC1 Show InChI InChI=1S/C25H38N4O6S/c1-4-15-35-23-8-7-19(18-21(23)24-26-22(6-3)20(5-2)25(31)27-24)36(32,33)29(11-14-30)10-9-28-12-16-34-17-13-28/h7-8,18,30H,4-6,9-17H2,1-3H3,(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525058
(CHEMBL4559488)Show SMILES CCCOc1ccc(NC(=O)CC)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C20H27N3O3/c1-5-11-26-17-10-9-13(21-18(24)8-4)12-15(17)19-22-16(7-3)14(6-2)20(25)23-19/h9-10,12H,5-8,11H2,1-4H3,(H,21,24)(H,22,23,25) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525068
(CHEMBL4483406)Show SMILES CCCOc1ccc(NS(C)(=O)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C18H25N3O4S/c1-5-10-25-16-9-8-12(21-26(4,23)24)11-14(16)17-19-15(7-3)13(6-2)18(22)20-17/h8-9,11,21H,5-7,10H2,1-4H3,(H,19,20,22) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525065
(CHEMBL4572238)Show SMILES CCCOc1ccc(NC(=O)CN2CCCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H34N4O3/c1-4-14-31-21-11-10-17(25-22(29)16-28-12-8-7-9-13-28)15-19(21)23-26-20(6-3)18(5-2)24(30)27-23/h10-11,15H,4-9,12-14,16H2,1-3H3,(H,25,29)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50399909
(CHEMBL2180945)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O4S/c1-5-14-30-20-9-8-16(31(28,29)26-12-10-25(4)11-13-26)15-18(20)21-23-19(7-3)17(6-2)22(27)24-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL MMDB PC cid PC sid PDB UniChem
Similars
| PDB Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525059
(CHEMBL4435186)Show SMILES CCCOc1ccc(NC(=O)C(=O)N2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H33N5O4/c1-5-14-33-20-9-8-16(25-23(31)24(32)29-12-10-28(4)11-13-29)15-18(20)21-26-19(7-3)17(6-2)22(30)27-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,25,31)(H,26,27,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525066
(CHEMBL4455861)Show SMILES CCCOc1ccc(NC(N)=O)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C18H24N4O3/c1-4-9-25-15-8-7-11(20-18(19)24)10-13(15)16-21-14(6-3)12(5-2)17(23)22-16/h7-8,10H,4-6,9H2,1-3H3,(H3,19,20,24)(H,21,22,23) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525062
(CHEMBL4440789)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)NCCC(O)=O Show InChI InChI=1S/C20H27N3O6S/c1-4-11-29-17-8-7-13(30(27,28)21-10-9-18(24)25)12-15(17)19-22-16(6-3)14(5-2)20(26)23-19/h7-8,12,21H,4-6,9-11H2,1-3H3,(H,24,25)(H,22,23,26) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525072
(CHEMBL4582221)Show SMILES CCCOc1ccc(NC(=O)N2CCCC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C22H30N4O3/c1-4-13-29-19-10-9-15(23-22(28)26-11-7-8-12-26)14-17(19)20-24-18(6-3)16(5-2)21(27)25-20/h9-10,14H,4-8,11-13H2,1-3H3,(H,23,28)(H,24,25,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525070
(CHEMBL4539785)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C22H29N3O6S/c1-4-12-31-19-10-9-14(32(29,30)25-11-7-8-18(25)22(27)28)13-16(19)20-23-17(6-3)15(5-2)21(26)24-20/h9-10,13,18H,4-8,11-12H2,1-3H3,(H,27,28)(H,23,24,26)/t18-/m0/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem
Patents
Similars
| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| Purchase
CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem
Patents
Similars
| MMDB PDB Article PubMed
| n/a | n/a | 4.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525063
(CHEMBL4522391)Show InChI InChI=1S/C17H23N3O2/c1-4-9-22-15-8-7-11(18)10-13(15)16-19-14(6-3)12(5-2)17(21)20-16/h7-8,10H,4-6,9,18H2,1-3H3,(H,19,20,21) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
| Article PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE5A1 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | UniProtKB/SwissProt
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE6C expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sci... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
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| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE11A4 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by s... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | UniProtKB/SwissProt
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| n/a | n/a | 36 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE6C expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sci... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Cone cGMP-specific 3',5'-cyclic phosphodiesterase subunit alpha'
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | UniProtKB/SwissProt
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| n/a | n/a | 402 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE6C expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by sci... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | 819 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 998 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE11A4 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by s... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
KEGG
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| n/a | n/a | 3.64E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | 4.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE11A4 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 30 mins by s... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE10A expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE4 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity ... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE10A expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE9A2 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
KEGG
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE9A2 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE8A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE7 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE4 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cAMP-specific 3',5'-cyclic phosphodiesterase 4A/4B/4C/4D
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB
UniProtKB/SwissProt
antibodypedia antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE4 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE3 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE3 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B/1C
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity ... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE10A expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by sc... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE7 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
Reactome pathway KEGG
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE8A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB
UniProtKB/SwissProt
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of human PDE2A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scintillation proximity ... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
UniProtKB/SwissProt
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Patents
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE3 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific 3',5'-cyclic phosphodiesterase 7A/cAMP-specific 3',5'-cyclic phosphodiesterase 7B
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB
KEGG
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| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged human PDE7 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 30 mins by scin... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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MCE PC cid PC sid PDB UniChem
| Article PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE8A1 expressed in baculovirus infected sf9 cells using [3H]cAMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB MMDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Inhibition of N-terminal GST-tagged full length human PDE9A2 expressed in baculovirus infected sf9 cells using [3H]cGMP as substrate measured after 3... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50525060
(CHEMBL4462192)Show SMILES CCCOc1ccc(NC(=O)CN2CCN(C)CC2)cc1-c1nc(CC)c(CC)c(=O)[nH]1 Show InChI InChI=1S/C24H35N5O3/c1-5-14-32-21-9-8-17(25-22(30)16-29-12-10-28(4)11-13-29)15-19(21)23-26-20(7-3)18(6-2)24(31)27-23/h8-9,15H,5-7,10-14,16H2,1-4H3,(H,25,30)(H,26,27,31) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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| n/a | n/a | n/a | 82 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 DE3 Rosetta2 pLysS cells asses... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50399909
(CHEMBL2180945)Show SMILES CCCOc1ccc(cc1-c1nc(CC)c(CC)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H32N4O4S/c1-5-14-30-20-9-8-16(31(28,29)26-12-10-25(4)11-13-26)15-18(20)21-23-19(7-3)17(6-2)22(27)24-21/h8-9,15H,5-7,10-14H2,1-4H3,(H,23,24,27) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
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Similars
| PDB Article PubMed
| n/a | n/a | n/a | 131 | n/a | n/a | n/a | n/a | n/a |
Chinese Academy of Sciences
Curated by ChEMBL
| Assay Description Binding affinity to recombinant human PDE5A1 catalytic domain (535 to 860 residues) expressed in Escherichia coli BL21 DE3 Rosetta2 pLysS cells asses... |
J Med Chem 62: 4979-4990 (2019)
Article DOI: 10.1021/acs.jmedchem.9b00123 BindingDB Entry DOI: 10.7270/Q2T72MWB |
More data for this Ligand-Target Pair | 3D Structure (crystal) |