Found 83 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)) | BDBM50117734
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117711
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117719
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 3.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117724
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117721
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117715
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117714
(CHEMBL90164 | N-(2-Dimethylamino-ethyl)-N-ethyl-3-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(CC)CCN(C)C Show InChI InChI=1S/C25H38N6O5S/c1-8-14-36-20-11-10-18(37(34,35)30(9-2)13-12-28(5)6)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)29(7)24(21)32/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117729
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1 Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117719
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117711
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117722
(CHEMBL89239 | N-(2-Dimethylamino-ethyl)-3-(3-isobu...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C24H36N6O5S/c1-8-13-35-19-10-9-17(36(33,34)28(6)12-11-27(4)5)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)29(7)23(20)31/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117732
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117724
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117734
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1 Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28) | PDB
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UniChem
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| n/a | n/a | 17 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117736
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117718
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117708
(8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 26 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117704
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 28 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117718
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29) | PDB
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| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117712
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 59 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117731
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117716
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 63 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117736
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1 Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26) | PDB
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PC sid
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| n/a | n/a | 68 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117723
(8-(2-Isobutoxy-phenyl)-3-isobutyl-1-methyl-3,7-dih...)Show SMILES CC(C)COc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N4O3/c1-12(2)10-24-18-16(19(25)23(5)20(24)26)21-17(22-18)14-8-6-7-9-15(14)27-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,22) | PDB
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| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117725
(8-(2-Ethoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H22N4O3/c1-5-25-13-9-7-6-8-12(13)15-19-14-16(20-15)22(10-11(2)3)18(24)21(4)17(14)23/h6-9,11H,5,10H2,1-4H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 73 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117732
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26) | PDB
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PC sid
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| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117717
(3-Isobutyl-8-(2-isopropoxy-phenyl)-1-methyl-3,7-di...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1OC(C)C Show InChI InChI=1S/C19H24N4O3/c1-11(2)10-23-17-15(18(24)22(5)19(23)25)20-16(21-17)13-8-6-7-9-14(13)26-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 77 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
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PC sid
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| n/a | n/a | 83 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117731
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21) | PDB
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PC sid
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| n/a | n/a | 87 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117729
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1 Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28) | PDB
KEGG
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PC sid
UniChem
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117728
(3-(2,2-Dimethyl-propyl)-8-[2-ethoxy-5-(4-methyl-pi...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-7-35-18-9-8-16(36(33,34)29-12-10-27(5)11-13-29)14-17(18)20-25-19-21(26-20)30(15-24(2,3)4)23(32)28(6)22(19)31/h8-9,14H,7,10-13,15H2,1-6H3,(H,25,26) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| PubMed
| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117705
(8-[2-Isobutoxy-5-(4-methyl-piperazine-1-sulfonyl)-...)Show SMILES CC(C)COc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-16(2)14-31-23-21(24(32)29(6)25(31)33)26-22(27-23)19-13-18(7-8-20(19)36-15-17(3)4)37(34,35)30-11-9-28(5)10-12-30/h7-8,13,16-17H,9-12,14-15H2,1-6H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 93 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117703
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117702
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-9-28-20-18(21(29)26(4)22(28)30)23-19(24-20)16-14-15(7-8-17(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,24) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| PubMed
| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117705
(8-[2-Isobutoxy-5-(4-methyl-piperazine-1-sulfonyl)-...)Show SMILES CC(C)COc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-16(2)14-31-23-21(24(32)29(6)25(31)33)26-22(27-23)19-13-18(7-8-20(19)36-15-17(3)4)37(34,35)30-11-9-28(5)10-12-30/h7-8,13,16-17H,9-12,14-15H2,1-6H3,(H,26,27) | PDB
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| n/a | n/a | 102 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117723
(8-(2-Isobutoxy-phenyl)-3-isobutyl-1-methyl-3,7-dih...)Show SMILES CC(C)COc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N4O3/c1-12(2)10-24-18-16(19(25)23(5)20(24)26)21-17(22-18)14-8-6-7-9-15(14)27-11-13(3)4/h6-9,12-13H,10-11H2,1-5H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | 105 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117720
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCCCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C25H36N6O5S/c1-5-7-8-9-12-31-23-21(24(32)29(4)25(31)33)26-22(27-23)19-17-18(10-11-20(19)36-6-2)37(34,35)30-15-13-28(3)14-16-30/h10-11,17H,5-9,12-16H2,1-4H3,(H,26,27) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117709
(8-(2-Butoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CCCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N4O3/c1-5-6-11-27-15-10-8-7-9-14(15)17-21-16-18(22-17)24(12-13(2)3)20(26)23(4)19(16)25/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,22) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
Similars
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| n/a | n/a | 135 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117716
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1 Show InChI InChI=1S/C26H39N7O5S/c1-7-38-21-9-8-19(39(36,37)32-14-12-31(13-15-32)11-10-29(4)5)16-20(21)23-27-22-24(28-23)33(17-18(2)3)26(35)30(6)25(22)34/h8-9,16,18H,7,10-15,17H2,1-6H3,(H,27,28) | PDB
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| n/a | n/a | 146 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117733
(3-Cyclohexylmethyl-8-[2-ethoxy-5-(4-methyl-piperaz...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CCCCC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C26H36N6O5S/c1-4-37-21-11-10-19(38(35,36)31-14-12-29(2)13-15-31)16-20(21)23-27-22-24(28-23)32(26(34)30(3)25(22)33)17-18-8-6-5-7-9-18/h10-11,16,18H,4-9,12-15,17H2,1-3H3,(H,27,28) | PDB
MMDB
Reactome pathway
KEGG
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PC sid
UniChem
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| n/a | n/a | 160 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117708
(8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
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| n/a | n/a | 203 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117717
(3-Isobutyl-8-(2-isopropoxy-phenyl)-1-methyl-3,7-di...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1OC(C)C Show InChI InChI=1S/C19H24N4O3/c1-11(2)10-23-17-15(18(24)22(5)19(23)25)20-16(21-17)13-8-6-7-9-14(13)26-12(3)4/h6-9,11-12H,10H2,1-5H3,(H,20,21) | PDB
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| n/a | n/a | 214 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117704
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25) | PDB
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| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117725
(8-(2-Ethoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C18H22N4O3/c1-5-25-13-9-7-6-8-12(13)15-19-14-16(20-15)22(10-11(2)3)18(24)21(4)17(14)23/h6-9,11H,5,10H2,1-4H3,(H,19,20) | PDB
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| n/a | n/a | 227 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117714
(CHEMBL90164 | N-(2-Dimethylamino-ethyl)-N-ethyl-3-...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(CC)CCN(C)C Show InChI InChI=1S/C25H38N6O5S/c1-8-14-36-20-11-10-18(37(34,35)30(9-2)13-12-28(5)6)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)29(7)24(21)32/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,26,27) | PDB
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| n/a | n/a | 242 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117710
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30) | PDB
MMDB
Reactome pathway
KEGG
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| n/a | n/a | 315 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117702
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-9-28-20-18(21(29)26(4)22(28)30)23-19(24-20)16-14-15(7-8-17(16)33-6-2)34(31,32)27-12-10-25(3)11-13-27/h7-8,14H,5-6,9-13H2,1-4H3,(H,23,24) | PDB
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| n/a | n/a | 345 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117709
(8-(2-Butoxy-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CCCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C20H26N4O3/c1-5-6-11-27-15-10-8-7-9-14(15)17-21-16-18(22-17)24(12-13(2)3)20(26)23(4)19(16)25/h7-10,13H,5-6,11-12H2,1-4H3,(H,21,22) | PDB
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| n/a | n/a | 436 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117742
(3-Isobutyl-1-methyl-8-(2-pentyloxy-phenyl)-3,7-dih...)Show SMILES CCCCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C21H28N4O3/c1-5-6-9-12-28-16-11-8-7-10-15(16)18-22-17-19(23-18)25(13-14(2)3)21(27)24(4)20(17)26/h7-8,10-11,14H,5-6,9,12-13H2,1-4H3,(H,22,23) | PDB
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| PubMed
| n/a | n/a | 551 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117722
(CHEMBL89239 | N-(2-Dimethylamino-ethyl)-3-(3-isobu...)Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(C)CCN(C)C Show InChI InChI=1S/C24H36N6O5S/c1-8-13-35-19-10-9-17(36(33,34)28(6)12-11-27(4)5)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)29(7)23(20)31/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,25,26) | PDB
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| n/a | n/a | 1.15E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117712
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29) | PDB
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| n/a | n/a | 1.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117726
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCCn1c2nc([nH]c2c(=O)[nH]c1=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C21H28N6O5S/c1-4-8-27-19-17(20(28)24-21(27)29)22-18(23-19)15-13-14(6-7-16(15)32-5-2)33(30,31)26-11-9-25(3)10-12-26/h6-7,13H,4-5,8-12H2,1-3H3,(H,22,23)(H,24,28,29) | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.36E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117727
(3-Isobutyl-8-[2-(2-methoxy-ethoxy)-phenyl]-1-methy...)Show SMILES COCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C19H24N4O4/c1-12(2)11-23-17-15(18(24)22(3)19(23)25)20-16(21-17)13-7-5-6-8-14(13)27-10-9-26-4/h5-8,12H,9-11H2,1-4H3,(H,20,21) | PDB
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UniChem
Similars
| PubMed
| n/a | n/a | 1.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117741
(3-Isobutyl-8-(2-methoxy-phenyl)-1-methyl-3,7-dihyd...)Show SMILES COc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H20N4O3/c1-10(2)9-21-15-13(16(22)20(3)17(21)23)18-14(19-15)11-7-5-6-8-12(11)24-4/h5-8,10H,9H2,1-4H3,(H,18,19) | PDB
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PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 1.81E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117728
(3-(2,2-Dimethyl-propyl)-8-[2-ethoxy-5-(4-methyl-pi...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-7-35-18-9-8-16(36(33,34)29-12-10-27(5)11-13-29)14-17(18)20-25-19-21(26-20)30(15-24(2,3)4)23(32)28(6)22(19)31/h8-9,14H,7,10-13,15H2,1-6H3,(H,25,26) | PDB
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| n/a | n/a | 2.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
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| n/a | n/a | 3.38E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117712
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29) | PDB
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| n/a | n/a | 4.52E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117735
(3-Isobutyl-1-methyl-8-(2-methylsulfanyl-phenyl)-3,...)Show SMILES CSc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H20N4O2S/c1-10(2)9-21-15-13(16(22)20(3)17(21)23)18-14(19-15)11-7-5-6-8-12(11)24-4/h5-8,10H,9H2,1-4H3,(H,18,19) | PDB
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PC sid
UniChem
Similars
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| n/a | n/a | 5.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117728
(3-(2,2-Dimethyl-propyl)-8-[2-ethoxy-5-(4-methyl-pi...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-7-35-18-9-8-16(36(33,34)29-12-10-27(5)11-13-29)14-17(18)20-25-19-21(26-20)30(15-24(2,3)4)23(32)28(6)22(19)31/h8-9,14H,7,10-13,15H2,1-6H3,(H,25,26) | PDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 5.57E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
P04972/P11541/P16586/P22571/P23439/Q95142
(Bos taurus-Bos taurus (Bovine)) | BDBM50117703
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25) | PDB
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| n/a | n/a | 5.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory concentration against bovine retina phosphodiesterase 6 activity |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 6.03E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117710
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117739
(8-(2-Dimethylamino-phenyl)-3-isobutyl-1-methyl-3,7...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1N(C)C Show InChI InChI=1S/C18H23N5O2/c1-11(2)10-23-16-14(17(24)22(5)18(23)25)19-15(20-16)12-8-6-7-9-13(12)21(3)4/h6-9,11H,10H2,1-5H3,(H,19,20) | PDB
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PC sid
UniChem
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117712
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29) | PDB
MMDB
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antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117707
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117713
(8-(2-Fluoro-phenyl)-3-isobutyl-1-methyl-3,7-dihydr...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1F Show InChI InChI=1S/C16H17FN4O2/c1-9(2)8-21-14-12(15(22)20(3)16(21)23)18-13(19-14)10-6-4-5-7-11(10)17/h4-7,9H,8H2,1-3H3,(H,18,19) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117710
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117738
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C19H24N6O5S/c1-4-30-14-6-5-12(31(28,29)25-9-7-23(2)8-10-25)11-13(14)16-20-15-17(21-16)24(3)19(27)22-18(15)26/h5-6,11H,4,7-10H2,1-3H3,(H,20,21)(H,22,26,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117703
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117701
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117703
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117730
(8-(2-Hydroxy-phenyl)-3-isobutyl-1-methyl-3,7-dihyd...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1O Show InChI InChI=1S/C16H18N4O3/c1-9(2)8-20-14-12(15(22)19(3)16(20)23)17-13(18-14)10-6-4-5-7-11(10)21/h4-7,9,21H,8H2,1-3H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-inhibited 3',5'-cyclic phosphodiesterase 3A/3B
(Homo sapiens (Human)) | BDBM50117704
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25) | PDB
MMDB
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of human platelet Phosphodiesterase 3 |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B
(Bos taurus-BOVINE) | BDBM50117704
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25) | PDB
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117737
(8-(2-Benzyloxy-phenyl)-3-isobutyl-1-methyl-3,7-dih...)Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1ccccc1OCc1ccccc1 Show InChI InChI=1S/C23H24N4O3/c1-15(2)13-27-21-19(22(28)26(3)23(27)29)24-20(25-21)17-11-7-8-12-18(17)30-14-16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,24,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117740
(3-Isobutyl-1-methyl-8-(2-methylamino-phenyl)-3,7-d...)Show SMILES CNc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1 Show InChI InChI=1S/C17H21N5O2/c1-10(2)9-22-15-13(16(23)21(4)17(22)24)19-14(20-15)11-7-5-6-8-12(11)18-3/h5-8,10,18H,9H2,1-4H3,(H,19,20) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50117706
(3-Isobutyl-1-methyl-8-phenyl-3,7-dihydro-purine-2,...)Show InChI InChI=1S/C16H18N4O2/c1-10(2)9-20-14-12(15(21)19(3)16(20)22)17-13(18-14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3,(H,17,18) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Horsham Research Centre
Curated by ChEMBL
| Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5) |
Bioorg Med Chem Lett 12: 2587-90 (2002)
BindingDB Entry DOI: 10.7270/Q2KW5FC2 |
More data for this
Ligand-Target Pair | |
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