Found 23 hits Enzyme Inhibition Constant Data 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
(311/347 = 90%)† (Rattus norvegicus) | 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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| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research and Development
Curated by ChEMBL
| Assay Description Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells |
J Med Chem 48: 2126-33 (2005)
Article DOI: 10.1021/jm0401098 BindingDB Entry DOI: 10.7270/Q2WH2QR5 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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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| 5.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of PDE5 (unknown origin) |
Eur J Med Chem 158: 767-780 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.028 BindingDB Entry DOI: 10.7270/Q2JS9T4N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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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| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Monash University (Parkville Campus)
Curated by ChEMBL
| Assay Description Inhibition of human phosphodiesterase 5 |
J Med Chem 48: 3449-62 (2005)
Article DOI: 10.1021/jm040217u BindingDB Entry DOI: 10.7270/Q21G0N2H |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase [531-875]
(326/346 = 94%)† (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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Plexxikon
| Assay Description Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-... |
Structure 12: 2233-47 (2004)
Article DOI: 10.1016/j.str.2004.10.004 BindingDB Entry DOI: 10.7270/Q25B00Q1 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Sun Yat-sen University
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
J Med Chem 61: 5467-5483 (2018)
Article DOI: 10.1021/acs.jmedchem.7b01370 BindingDB Entry DOI: 10.7270/Q22B91MK |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Columbia University
Curated by ChEMBL
| Assay Description Inhibition of PDE5 (unknown origin) using FAM-cGMP as substrate after 60 mins by fluorescence assay |
Eur J Med Chem 60: 285-94 (2013)
Article DOI: 10.1016/j.ejmech.2012.12.009 BindingDB Entry DOI: 10.7270/Q22F7PSZ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Pharmaceutical Research Institute
Curated by ChEMBL
| Assay Description Inhibition of Phosphodiesterase 5 from human platelets |
J Med Chem 46: 457-60 (2003)
Article DOI: 10.1021/jm0256068 BindingDB Entry DOI: 10.7270/Q2125S1G |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5A-mediated hydrolysis of cGMP after 30 mins by fluorescence polarization assay |
J Med Chem 54: 495-509 (2011)
Article DOI: 10.1021/jm100842v BindingDB Entry DOI: 10.7270/Q2RR1ZHQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by ChEMBL
| Assay Description Inhibition of PDE5 (unknown origin) |
J Med Chem 61: 6421-6467 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00180 BindingDB Entry DOI: 10.7270/Q2DJ5J62 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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 | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Inserm U761 Biostructures and Drug Discovery Lille
Curated by ChEMBL
| Assay Description Inhibition of bovine PDE5 after 24 hrs by HTRF |
Bioorg Med Chem Lett 17: 789-92 (2007)
Article DOI: 10.1016/j.bmcl.2006.10.069 BindingDB Entry DOI: 10.7270/Q2BV7G8C |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description Inhibition of human phosphodiesterase 5 |
Bioorg Med Chem Lett 15: 2365-9 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.083 BindingDB Entry DOI: 10.7270/Q2TM79MQ |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
German University in Cairo
Curated by ChEMBL
| Assay Description Inhibition of human recombinant PDE5 after 1.5 hrs by fluorescent polarization assay |
Eur J Med Chem 45: 1278-86 (2010)
Article DOI: 10.1016/j.ejmech.2009.10.046 BindingDB Entry DOI: 10.7270/Q26W9B6P |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 4.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of full length recombinant human N-terminal GST-tagged PDE5A1 expressed in baculovirus infected sf9 cells using FAM-cyclic-3',5-GMP as sub... |
Eur J Med Chem 158: 767-780 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.028 BindingDB Entry DOI: 10.7270/Q2JS9T4N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against bovine phosphodiesterase 5 |
J Med Chem 46: 4533-42 (2003)
Article DOI: 10.1021/jm0300577 BindingDB Entry DOI: 10.7270/Q2N015X2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
INSERM
Curated by ChEMBL
| Assay Description Inhibition of bovine PDE5 after 24 hrs by time-resolved fluorescence resonance energy transfer assay |
J Med Chem 55: 1274-86 (2012)
Article DOI: 10.1021/jm201422e BindingDB Entry DOI: 10.7270/Q2WW7JPW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description Inhibition of PDE5 |
Bioorg Med Chem 16: 7599-606 (2008)
Article DOI: 10.1016/j.bmc.2008.07.022 BindingDB Entry DOI: 10.7270/Q2VX0HRR |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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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| MMDB PDB Article PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Centre de Recherches
Curated by ChEMBL
| Assay Description In vitro inhibitory activity against bovine phosphodiesterase 5 |
J Med Chem 46: 4533-42 (2003)
Article DOI: 10.1021/jm0300577 BindingDB Entry DOI: 10.7270/Q2N015X2 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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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Patents
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| DrugBank MMDB PDB PubMed
| n/a | n/a | 6.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue |
Bioorg Med Chem Lett 13: 1425-8 (2003)
BindingDB Entry DOI: 10.7270/Q2GM86N6 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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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Patents
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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of PDE5A (unknown origin) |
Eur J Med Chem 150: 506-524 (2018)
Article DOI: 10.1016/j.ejmech.2018.03.005 BindingDB Entry DOI: 10.7270/Q2H134MG |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(326/347 = 94%)† (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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| DrugBank MMDB PDB Article PubMed
| n/a | n/a | 9.40 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Navarra
Curated by ChEMBL
| Assay Description Inhibition of recombinant human PDE5A |
J Med Chem 59: 8967-9004 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00908 BindingDB Entry DOI: 10.7270/Q2KP8448 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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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| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chong Kun Dang Research Institute
Curated by ChEMBL
| Assay Description Inhibition of bovine PDE5 |
Bioorg Med Chem Lett 18: 6279-82 (2008)
Article DOI: 10.1016/j.bmcl.2008.09.108 BindingDB Entry DOI: 10.7270/Q2SB45MV |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(318/347 = 92%)† (Bos taurus) | 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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| MMDB PDB Article PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Chong Kun Dang Research Institute
Curated by ChEMBL
| Assay Description Inhibition of bovine platelet PDE5 |
Bioorg Med Chem Lett 20: 383-6 (2010)
Article DOI: 10.1016/j.bmcl.2009.10.071 BindingDB Entry DOI: 10.7270/Q28P60KW |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(311/347 = 90%)† (Rattus norvegicus) | 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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| MMDB PDB Article PubMed
| n/a | n/a | n/a | n/a | 78 | n/a | n/a | n/a | n/a |
Shandong University
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in Wistar rat mesentric arteries assessed as inhibition of phenylephrine-induced contraction by measuring increase in acetylcholin... |
Eur J Med Chem 158: 767-780 (2018)
Article DOI: 10.1016/j.ejmech.2018.09.028 BindingDB Entry DOI: 10.7270/Q2JS9T4N |
More data for this Ligand-Target Pair | 3D Structure (crystal) |