Found 16 hits of 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
(Homo sapiens (Human)) | BDBM50261157
(5-(2-Ethoxy-5-(N-acetic acid,N'-5-(2-ethoxy-5-sulf...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN(CC(O)=O)S(=O)(=O)c1ccc(OCC)c(c1)-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C38H46N10O10S2/c1-7-11-26-31-33(46(5)44-26)37(51)42-35(40-31)24-19-22(13-15-28(24)57-9-3)59(53,54)39-17-18-48(21-30(49)50)60(55,56)23-14-16-29(58-10-4)25(20-23)36-41-32-27(12-8-2)45-47(6)34(32)38(52)43-36/h13-16,19-20,39H,7-12,17-18,21H2,1-6H3,(H,49,50)(H,40,42,51)(H,41,43,52) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261649
(5-{2-Ethoxy-5-[(4-(4-nitrophenyl))piperazinylsulph...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O Show InChI InChI=1S/C27H31N7O6S/c1-4-6-22-24-25(31(3)30-22)27(35)29-26(28-24)21-17-20(11-12-23(21)40-5-2)41(38,39)33-15-13-32(14-16-33)18-7-9-19(10-8-18)34(36)37/h7-12,17H,4-6,13-16H2,1-3H3,(H,28,29,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | |
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 | 53 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261602
(5-{2-Ethoxy-5-[(4-(2-fluorophenyl)piperazinylsulph...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccccc1F Show InChI InChI=1S/C27H31FN6O4S/c1-4-8-21-24-25(32(3)31-21)27(35)30-26(29-24)19-17-18(11-12-23(19)38-5-2)39(36,37)34-15-13-33(14-16-34)22-10-7-6-9-20(22)28/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261603
(5-{2-Ethoxy-5-[(4-(4-fluorophenyl)piperazinylsulph...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1 Show InChI InChI=1S/C27H31FN6O4S/c1-4-6-22-24-25(32(3)31-22)27(35)30-26(29-24)21-17-20(11-12-23(21)38-5-2)39(36,37)34-15-13-33(14-16-34)19-9-7-18(28)8-10-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261652
(5-{2-Ethoxy-5-[(4-(1-(cyclohexyl))piperazinylsulph...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)C1CCCCC1 Show InChI InChI=1S/C27H38N6O4S/c1-4-9-22-24-25(31(3)30-22)27(34)29-26(28-24)21-18-20(12-13-23(21)37-5-2)38(35,36)33-16-14-32(15-17-33)19-10-7-6-8-11-19/h12-13,18-19H,4-11,14-17H2,1-3H3,(H,28,29,34) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261647
(5-{2-Ethoxy-5-[(4-(3-chlorophenyl))piperazinylsulp...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1 Show InChI InChI=1S/C27H31ClN6O4S/c1-4-7-22-24-25(32(3)31-22)27(35)30-26(29-24)21-17-20(10-11-23(21)38-5-2)39(36,37)34-14-12-33(13-15-34)19-9-6-8-18(28)16-19/h6,8-11,16-17H,4-5,7,12-15H2,1-3H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261648
(5-{2-Ethoxy-5-[(4-(4-chlorophenyl))piperazinylsulp...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C27H31ClN6O4S/c1-4-6-22-24-25(32(3)31-22)27(35)30-26(29-24)21-17-20(11-12-23(21)38-5-2)39(36,37)34-15-13-33(14-16-34)19-9-7-18(28)8-10-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261574
(5-{2-Ethoxy-5-[(4-(1-(2-methoxyphenyl))piperazinyl...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccccc1OC Show InChI InChI=1S/C28H34N6O5S/c1-5-9-21-25-26(32(3)31-21)28(35)30-27(29-25)20-18-19(12-13-23(20)39-6-2)40(36,37)34-16-14-33(15-17-34)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 150 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261154
(5-(2-Ethoxy-5-(N-phenyl-ethylenediamine-sulfonyl)p...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1 Show InChI InChI=1S/C25H30N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,26-27H,4-5,9,14-15H2,1-3H3,(H,28,29,32) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261158
(5-(2-Ethoxy-5-(N-ethanol,N'-5-(2-ethoxy-5-sulfonyl...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN(CCO)S(=O)(=O)c1ccc(OCC)c(c1)-c1nc2c(CCC)nn(C)c2c(=O)[nH]1 Show InChI InChI=1S/C38H48N10O9S2/c1-7-11-27-31-33(46(5)44-27)37(50)42-35(40-31)25-21-23(13-15-29(25)56-9-3)58(52,53)39-17-18-48(19-20-49)59(54,55)24-14-16-30(57-10-4)26(22-24)36-41-32-28(12-8-2)45-47(6)34(32)38(51)43-36/h13-16,21-22,39,49H,7-12,17-20H2,1-6H3,(H,40,42,50)(H,41,43,51) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261651
(5-{2-Ethoxy-5-[(4-(1-piperonyl)piperazinylsulphony...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(Cc2ccc3OCOc3c2)CC1 Show InChI InChI=1S/C29H34N6O6S/c1-4-6-22-26-27(33(3)32-22)29(36)31-28(30-26)21-16-20(8-10-23(21)39-5-2)42(37,38)35-13-11-34(12-14-35)17-19-7-9-24-25(15-19)41-18-40-24/h7-10,15-16H,4-6,11-14,17-18H2,1-3H3,(H,30,31,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 320 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261650
(5-{2-Ethoxy-5-[4-(1-naphthyl)piperazinylsulphonyl]...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1cccc2ccccc12 Show InChI InChI=1S/C31H34N6O4S/c1-4-9-25-28-29(35(3)34-25)31(38)33-30(32-28)24-20-22(14-15-27(24)41-5-2)42(39,40)37-18-16-36(17-19-37)26-13-8-11-21-10-6-7-12-23(21)26/h6-8,10-15,20H,4-5,9,16-19H2,1-3H3,(H,32,33,38) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 370 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261156
(5-(2-Ethoxy-5-(N-acetic acid ethylenediamine-sulfo...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCNCC(O)=O Show InChI InChI=1S/C21H28N6O6S/c1-4-6-15-18-19(27(3)26-15)21(30)25-20(24-18)14-11-13(7-8-16(14)33-5-2)34(31,32)23-10-9-22-12-17(28)29/h7-8,11,22-23H,4-6,9-10,12H2,1-3H3,(H,28,29)(H,24,25,30) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | 3D Structure (docked) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261155
(5-(2-Ethoxy-5-(N-naphthyl-ethylenediamine-sulfonyl...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCNc1cccc2ccccc12 Show InChI InChI=1S/C29H32N6O4S/c1-4-9-24-26-27(35(3)34-24)29(36)33-28(32-26)22-18-20(14-15-25(22)39-5-2)40(37,38)31-17-16-30-23-13-8-11-19-10-6-7-12-21(19)23/h6-8,10-15,18,30-31H,4-5,9,16-17H2,1-3H3,(H,32,33,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 510 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50261653
(4-Nitrooxy-butyric acid 2-{4-[4-ethoxy-3-(1-methyl...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCOC(=O)CCCO[N+]([O-])=O)CC1 Show InChI InChI=1S/C27H37N7O9S/c1-4-7-21-24-25(31(3)30-21)27(36)29-26(28-24)20-18-19(9-10-22(20)41-5-2)44(39,40)33-13-11-32(12-14-33)15-17-42-23(35)8-6-16-43-34(37)38/h9-10,18H,4-8,11-17H2,1-3H3,(H,28,29,36) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| n/a | n/a | 530 | n/a | n/a | n/a | n/a | n/a | n/a |
State University of Campinas
Curated by ChEMBL
| Assay Description Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis |
J Med Chem 51: 2807-15 (2008)
Article DOI: 10.1021/jm701400r BindingDB Entry DOI: 10.7270/Q2NC6100 |
More data for this Ligand-Target Pair | |