Found 51 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)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| n/a | n/a | 0.200 | 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
(Homo sapiens (Human)) | BDBM50165781
((R)-7-Benzyl-2-chloro-5-ethyl-3-(4-hydroxy-benzyl)...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cl)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22ClN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.30 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165771
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | 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 | 2.5 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165773
((R)-7-Benzyl-5-ethyl-3-(4-hydroxy-benzyl)-2-iodo-7...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(I)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22IN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | 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 | 3.30 | 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 | |
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 | 3.5 | 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
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
MMDB
PDB
Article
PubMed
| n/a | n/a | 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
(Homo sapiens (Human)) | BDBM50140595
((R)-2,7-Dibenzyl-5-ethyl-7,8-dihydro-1H,5H-imidazo...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:3| Show InChI InChI=1S/C23H23N5O/c1-2-27-22(29)20-21(26-19(25-20)14-17-11-7-4-8-12-17)28-15-18(24-23(27)28)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3,(H,25,26)/t18-/m1/s1 | 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 | 4.5 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165787
((R)-7-Benzyl-5-ethyl-3-(4-hydroxy-benzyl)-2-phenyl...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C#Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C31H27N5O2/c1-2-34-30(38)28-29(36-21-25(32-31(34)36)19-23-11-7-4-8-12-23)33-27(18-15-22-9-5-3-6-10-22)35(28)20-24-13-16-26(37)17-14-24/h3-14,16-17,25,37H,2,19-21H2,1H3/t25-/m1/s1 | 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 | 5.30 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165782
(5-Ethyl-1-(4-hydroxy-benzyl)-2-phenylethynyl-7-((R...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(C#Cc3ccccc3)n2Cc2ccc(O)cc2)C1=O |t:3| Show InChI InChI=1S/C31H27N5O2/c1-2-34-30(38)28-29(36-21-25(32-31(34)36)19-23-11-7-4-8-12-23)35(20-24-13-16-26(37)17-14-24)27(33-28)18-15-22-9-5-3-6-10-22/h3-14,16-17,25,37H,2,19-21H2,1H3/t25-/m1/s1 | 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 | 6.5 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165795
(2-Bromo-5-ethyl-1-(4-hydroxy-benzyl)-7-((R)-phenyl...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Br)n2Cc2ccc(O)cc2)C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(28(22(24)26-19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | 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 | 7.80 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165778
((R)-7-Benzyl-5-ethyl-3-(4-methoxy-benzyl)-2-phenyl...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C#Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |t:3| Show InChI InChI=1S/C32H29N5O2/c1-3-35-31(38)29-30(37-22-26(33-32(35)37)20-24-12-8-5-9-13-24)34-28(19-16-23-10-6-4-7-11-23)36(29)21-25-14-17-27(39-2)18-15-25/h4-15,17-18,26H,3,20-22H2,1-2H3/t26-/m1/s1 | 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 | 14 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165784
((R)-7-Benzyl-5-ethyl-3-(4-hydroxy-benzyl)-2-methyl...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C24H25N5O2/c1-3-27-23(31)21-22(25-16(2)28(21)14-18-9-11-20(30)12-10-18)29-15-19(26-24(27)29)13-17-7-5-4-6-8-17/h4-12,19,30H,3,13-15H2,1-2H3/t19-/m1/s1 | 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 | 15 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50059029
((6aR,9aS)-5-ethyl-5,6a,7,8,9,9a-hexahydro-2-(pheny...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:3| Show InChI InChI=1S/C19H21N5O/c1-2-23-18(25)16-17(24-14-10-6-9-13(14)20-19(23)24)22-15(21-16)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,21,22)/t13-,14+/m1/s1 | 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 | 19 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165792
((R)-7-Benzyl-5-ethyl-1-(4-methoxy-benzyl)-2-phenyl...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(C#Cc3ccccc3)n2Cc2ccc(OC)cc2)C1=O |t:3| Show InChI InChI=1S/C32H29N5O2/c1-3-35-31(38)29-30(37-22-26(33-32(35)37)20-24-12-8-5-9-13-24)36(21-25-14-17-27(39-2)18-15-25)28(34-29)19-16-23-10-6-4-7-11-23/h4-15,17-18,26H,3,20-22H2,1-2H3/t26-/m1/s1 | 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 | 20 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165772
((R)-2,7-Dibenzyl-5-isopropyl-7,8-dihydro-1H,5H-imi...)Show SMILES CC(C)N1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:4| Show InChI InChI=1S/C24H25N5O/c1-16(2)29-23(30)21-22(27-20(26-21)14-18-11-7-4-8-12-18)28-15-19(25-24(28)29)13-17-9-5-3-6-10-17/h3-12,16,19H,13-15H2,1-2H3,(H,26,27)/t19-/m1/s1 | 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 | 22 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165776
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-methoxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(OC)cc3)c2C1=O |t:3| Show InChI InChI=1S/C24H24BrN5O2/c1-3-28-22(31)20-21(27-23(25)29(20)14-17-9-11-19(32-2)12-10-17)30-15-18(26-24(28)30)13-16-7-5-4-6-8-16/h4-12,18H,3,13-15H2,1-2H3/t18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 23 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165791
((R)-2-Benzyl-5-ethyl-7-isopropyl-7,8-dihydro-1H,5H...)Show SMILES CCN1C2=N[C@@H](CN2c2nc(Cc3ccccc3)[nH]c2C1=O)C(C)C |t:3| Show InChI InChI=1S/C19H23N5O/c1-4-23-18(25)16-17(24-11-14(12(2)3)20-19(23)24)22-15(21-16)10-13-8-6-5-7-9-13/h5-9,12,14H,4,10-11H2,1-3H3,(H,21,22)/t14-/m0/s1 | 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 | 28 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165793
(2-Benzyl-5-ethyl-1-(4-hydroxy-benzyl)-7-((R)-pheny...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Cc3ccccc3)n2Cc2ccc(O)cc2)C1=O |t:3| Show InChI InChI=1S/C30H29N5O2/c1-2-33-29(37)27-28(35-20-24(31-30(33)35)17-21-9-5-3-6-10-21)34(19-23-13-15-25(36)16-14-23)26(32-27)18-22-11-7-4-8-12-22/h3-16,24,36H,2,17-20H2,1H3/t24-/m1/s1 | 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 | 28 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165786
((R)-2,7-Dibenzyl-5-ethyl-3-(4-hydroxy-benzyl)-7,8-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C30H29N5O2/c1-2-33-29(37)27-28(35-20-24(31-30(33)35)17-21-9-5-3-6-10-21)32-26(18-22-11-7-4-8-12-22)34(27)19-23-13-15-25(36)16-14-23/h3-16,24,36H,2,17-20H2,1H3/t24-/m1/s1 | 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 | 29 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165783
((R)-1,2,7-Tribenzyl-5-ethyl-7,8-dihydro-1H,5H-imid...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C30H29N5O/c1-2-33-29(36)27-28(35-21-25(31-30(33)35)18-22-12-6-3-7-13-22)34(20-24-16-10-5-11-17-24)26(32-27)19-23-14-8-4-9-15-23/h3-17,25H,2,18-21H2,1H3/t25-/m1/s1 | 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 | 32 | 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 | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
DrugBank
MCE
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 33 | 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 11 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165767
((R)-1,7-Dibenzyl-5-ethyl-2-phenylethynyl-7,8-dihyd...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(C#Cc3ccccc3)n2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C31H27N5O/c1-2-34-30(37)28-29(36-22-26(32-31(34)36)20-24-14-8-4-9-15-24)35(21-25-16-10-5-11-17-25)27(33-28)19-18-23-12-6-3-7-13-23/h3-17,26H,2,20-22H2,1H3/t26-/m1/s1 | 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 | 33 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165768
((R)-2-Benzyl-5,7-diethyl-7,8-dihydro-1H,5H-imidazo...)Show SMILES CC[C@@H]1CN2C(=N1)N(CC)C(=O)c1[nH]c(Cc3ccccc3)nc21 |c:5| Show InChI InChI=1S/C18H21N5O/c1-3-13-11-23-16-15(17(24)22(4-2)18(23)19-13)20-14(21-16)10-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3,(H,20,21)/t13-/m1/s1 | 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 | 33 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165780
((R)-1,2-Dibenzyl-5-ethyl-7-propyl-7,8-dihydro-1H,5...)Show SMILES CCC[C@@H]1CN2C(=N1)N(CC)C(=O)c1nc(Cc3ccccc3)n(Cc3ccccc3)c21 |c:6| Show InChI InChI=1S/C26H29N5O/c1-3-11-21-18-31-24-23(25(32)29(4-2)26(31)27-21)28-22(16-19-12-7-5-8-13-19)30(24)17-20-14-9-6-10-15-20/h5-10,12-15,21H,3-4,11,16-18H2,1-2H3/t21-/m1/s1 | 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 | 35 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165789
((R)-2,7-Dibenzyl-5-ethyl-1-(4-methoxy-benzyl)-7,8-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Cc3ccccc3)n2Cc2ccc(OC)cc2)C1=O |t:3| Show InChI InChI=1S/C31H31N5O2/c1-3-34-30(37)28-29(36-21-25(32-31(34)36)18-22-10-6-4-7-11-22)35(20-24-14-16-26(38-2)17-15-24)27(33-28)19-23-12-8-5-9-13-23/h4-17,25H,3,18-21H2,1-2H3/t25-/m1/s1 | 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 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165790
((R)-1,2-Dibenzyl-5-ethyl-7-phenyl-7,8-dihydro-1H,5...)Show SMILES CCN1C2=N[C@@H](CN2c2c(nc(Cc3ccccc3)n2Cc2ccccc2)C1=O)c1ccccc1 |t:3| Show InChI InChI=1S/C29H27N5O/c1-2-32-28(35)26-27(34-20-24(30-29(32)34)23-16-10-5-11-17-23)33(19-22-14-8-4-9-15-22)25(31-26)18-21-12-6-3-7-13-21/h3-17,24H,2,18-20H2,1H3/t24-/m0/s1 | 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 | 40 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165779
((R)-3,7-Dibenzyl-5-ethyl-2-phenylethynyl-7,8-dihyd...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O |t:3| Show InChI InChI=1S/C31H27N5O/c1-2-34-30(37)28-29(36-22-26(32-31(34)36)20-24-14-8-4-9-15-24)33-27(19-18-23-12-6-3-7-13-23)35(28)21-25-16-10-5-11-17-25/h3-17,26H,2,20-22H2,1H3/t26-/m1/s1 | 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 | 40 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165774
((R)-7-Benzyl-2-bromo-5-ethyl-1-(4-methoxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Br)n2Cc2ccc(OC)cc2)C1=O |t:3| Show InChI InChI=1S/C24H24BrN5O2/c1-3-28-22(31)20-21(29(23(25)27-20)14-17-9-11-19(32-2)12-10-17)30-15-18(26-24(28)30)13-16-7-5-4-6-8-16/h4-12,18H,3,13-15H2,1-2H3/t18-/m1/s1 | 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 | 48 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165775
((R)-2-Benzyl-5-ethyl-7-propyl-7,8-dihydro-1H,5H-im...)Show SMILES CCC[C@@H]1CN2C(=N1)N(CC)C(=O)c1[nH]c(Cc3ccccc3)nc21 |c:6| Show InChI InChI=1S/C19H23N5O/c1-3-8-14-12-24-17-16(18(25)23(4-2)19(24)20-14)21-15(22-17)11-13-9-6-5-7-10-13/h5-7,9-10,14H,3-4,8,11-12H2,1-2H3,(H,21,22)/t14-/m1/s1 | 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 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165770
((R)-1,7-Dibenzyl-2-chloro-5-ethyl-7,8-dihydro-1H,5...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Cl)n2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C23H22ClN5O/c1-2-27-21(30)19-20(28(22(24)26-19)14-17-11-7-4-8-12-17)29-15-18(25-23(27)29)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3/t18-/m1/s1 | 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 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165794
((R)-1,7-Dibenzyl-5-ethyl-2-phenethyl-7,8-dihydro-1...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(CCc3ccccc3)n2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C31H31N5O/c1-2-34-30(37)28-29(36-22-26(32-31(34)36)20-24-14-8-4-9-15-24)35(21-25-16-10-5-11-17-25)27(33-28)19-18-23-12-6-3-7-13-23/h3-17,26H,2,18-22H2,1H3/t26-/m1/s1 | 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 | 74 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50059037
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2| Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 80 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165788
((R)-2,7-Dibenzyl-5-methyl-7,8-dihydro-1H,5H-imidaz...)Show SMILES CN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2| Show InChI InChI=1S/C22H21N5O/c1-26-21(28)19-20(25-18(24-19)13-16-10-6-3-7-11-16)27-14-17(23-22(26)27)12-15-8-4-2-5-9-15/h2-11,17H,12-14H2,1H3,(H,24,25)/t17-/m1/s1 | 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 |
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 | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| Purchase
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MCE
MMDB
PC cid
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PubMed
| n/a | n/a | 130 | 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 11 |
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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165769
((R)-2,7-Dibenzyl-5-ethyl-3-(4-methoxy-benzyl)-7,8-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |t:3| Show InChI InChI=1S/C31H31N5O2/c1-3-34-30(37)28-29(36-21-25(32-31(34)36)18-22-10-6-4-7-11-22)33-27(19-23-12-8-5-9-13-23)35(28)20-24-14-16-26(38-2)17-15-24/h4-17,25H,3,18-21H2,1-2H3/t25-/m1/s1 | PDB
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PubMed
| n/a | n/a | 130 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165777
((R)-1,7-Dibenzyl-2-bromo-5-ethyl-7,8-dihydro-1H,5H...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(nc(Br)n2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O/c1-2-27-21(30)19-20(28(22(24)26-19)14-17-11-7-4-8-12-17)29-15-18(25-23(27)29)13-16-9-5-3-6-10-16/h3-12,18H,2,13-15H2,1H3/t18-/m1/s1 | PDB
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UniChem
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| Article
PubMed
| n/a | n/a | 145 | 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 | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165785
((R)-1,7-Dibenzyl-5-ethyl-7,8-dihydro-1H,5H-imidazo...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2c(ncn2Cc2ccccc2)C1=O |t:3| Show InChI InChI=1S/C23H23N5O/c1-2-27-22(29)20-21(26(16-24-20)14-18-11-7-4-8-12-18)28-15-19(25-23(27)28)13-17-9-5-3-6-10-17/h3-12,16,19H,2,13-15H2,1H3/t19-/m1/s1 | PDB
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| Article
PubMed
| n/a | n/a | 200 | 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 | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB
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| n/a | n/a | 460 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 9 |
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 (docked) |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM50165771
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | KEGG
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PubMed
| n/a | n/a | 540 | 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 11 |
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 | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB
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| n/a | n/a | 790 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human phosphodiesterase 10 |
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 | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM50165771
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | PDB
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PubMed
| n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human phosphodiesterase 10 |
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 | |
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | KEGG
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| n/a | n/a | 2.30E+3 | 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 11 |
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 | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
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PubMed
| n/a | n/a | 3.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human phosphodiesterase 10 |
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 | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
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| n/a | n/a | 3.40E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 9 |
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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50165771
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 2 |
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 | |
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human phosphodiesterase 10 |
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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
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| n/a | n/a | >1.00E+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 2 |
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 | |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14776
(2-{2-ethoxy-5-[(4-ethylpiperazine-1-)sulfonyl]phen...)Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC)CC1 Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30) | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of human phosphodiesterase 2 |
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 | |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM50165771
((R)-7-Benzyl-2-bromo-5-ethyl-3-(4-hydroxy-benzyl)-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(Br)n(Cc3ccc(O)cc3)c2C1=O |t:3| Show InChI InChI=1S/C23H22BrN5O2/c1-2-27-21(31)19-20(26-22(24)28(19)13-16-8-10-18(30)11-9-16)29-14-17(25-23(27)29)12-15-6-4-3-5-7-15/h3-11,17,30H,2,12-14H2,1H3/t17-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 9 |
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 (docked) |
High affinity cGMP-specific 3',5'-cyclic phosphodiesterase 9A
(Homo sapiens (Human)) | BDBM14777
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1 | PDB
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| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Inhibition of Phosphodiesterase 9 |
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 (docked) |
cGMP-dependent 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM14390
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1 Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29) | PDB
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| Article
PubMed
| n/a | n/a | >1.00E+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 2 |
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 | |
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