Found 49 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)) | BDBM50140583
(5-ethyl-3-(4-hydroxybenzyl)-2-(2-phenyl-1-ethynyl)...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H25N5O2/c1-2-30-26(34)24-25(32-22-10-6-9-21(22)28-27(30)32)29-23(16-13-18-7-4-3-5-8-18)31(24)17-19-11-14-20(33)15-12-19/h3-5,7-8,11-12,14-15,21-22,33H,2,6,9-10,17H2,1H3/t21-,22+/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 | 0.302 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50412430
(CHEMBL483655)Show SMILES CCN1C2=NC3CCCC3N2C2N=C([N-][N+]#N)N(Cc3ccc(O)cc3)C2C1=O |t:3,14| Show InChI InChI=1S/C19H22N8O2/c1-2-25-17(29)15-16(27-14-5-3-4-13(14)21-19(25)27)22-18(23-24-20)26(15)10-11-6-8-12(28)9-7-11/h6-9,13-16,28H,2-5,10H2,1H3 | 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 | 0.617 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140624
(3-(3-bromo-4-hydroxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H21BrN6O3/c1-2-25-19(30)15-17(27-13-5-3-4-12(13)23-20(25)27)24-18(16(22)29)26(15)9-10-6-7-14(28)11(21)8-10/h6-8,12-13,28H,2-5,9H2,1H3,(H2,22,29)/t12-,13+/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 | 0.891 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140619
(2-ethoxy-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4...)Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)cc1 |r,c:13| Show InChI InChI=1S/C21H25N5O3/c1-3-24-19(28)17-18(26-16-7-5-6-15(16)22-20(24)26)23-21(29-4-2)25(17)12-13-8-10-14(27)11-9-13/h8-11,15-16,27H,3-7,12H2,1-2H3/t15-,16+/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 | 0.891 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140593
(3-(3-chloro-4-hydroxybenzyl)-5-ethyl-4-oxo-(6aR,9a...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H21ClN6O3/c1-2-25-19(30)15-17(27-13-5-3-4-12(13)23-20(25)27)24-18(16(22)29)26(15)9-10-6-7-14(28)11(21)8-10/h6-8,12-13,28H,2-5,9H2,1H3,(H2,22,29)/t12-,13+/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140590
(2N-methyl-3-(3-chloro-4-hydroxybenzyl)-5-ethyl-4-o...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23ClN6O3/c1-3-26-20(31)16-17(28-14-6-4-5-13(14)24-21(26)28)25-18(19(30)23-2)27(16)10-11-7-8-15(29)12(22)9-11/h7-9,13-14,29H,3-6,10H2,1-2H3,(H,23,30)/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140582
((R)-3-(3-bromo-4-hydroxybenzyl)-7-benzyl-5-ethyl-2...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H24BrN5O3/c1-3-28-22(32)20-21(30-14-17(26-23(28)30)11-15-7-5-4-6-8-15)27-24(33-2)29(20)13-16-9-10-19(31)18(25)12-16/h4-10,12,17,31H,3,11,13-14H2,1-2H3/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140580
(3-(3-bromo-4-methoxybenzyl)-5-ethyl-4-oxo-(6aR,9aS...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H23BrN6O3/c1-3-26-20(30)16-18(28-14-6-4-5-13(14)24-21(26)28)25-19(17(23)29)27(16)10-11-7-8-15(31-2)12(22)9-11/h7-9,13-14H,3-6,10H2,1-2H3,(H2,23,29)/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50412431
(CHEMBL519357)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2C2N=C(OC)N(Cc3ccc(OC)c(Cl)c3)C2C1=O |r,t:3,18| Show InChI InChI=1S/C25H28ClN5O3/c1-4-29-23(32)21-22(31-15-18(27-24(29)31)12-16-8-6-5-7-9-16)28-25(34-3)30(21)14-17-10-11-20(33-2)19(26)13-17/h5-11,13,18,21-22H,4,12,14-15H2,1-3H3/t18-,21?,22?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140603
(3-(3-bromo-4-hydroxybenzyl)-5-ethyl-2-methoxy-(6aR...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(O)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22BrN5O3/c1-3-24-18(28)16-17(26-14-6-4-5-13(14)22-19(24)26)23-20(29-2)25(16)10-11-7-8-15(27)12(21)9-11/h7-9,13-14,27H,3-6,10H2,1-2H3/t13-,14+/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140598
(5-ethyl-2-ethylsulfanyl-3-(4-hydroxybenzyl)-(6aR,9...)Show SMILES CCSc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)cc1 |r,c:13| Show InChI InChI=1S/C21H25N5O2S/c1-3-24-19(28)17-18(26-16-7-5-6-15(16)22-20(24)26)23-21(29-4-2)25(17)12-13-8-10-14(27)11-9-13/h8-11,15-16,27H,3-7,12H2,1-2H3/t15-,16+/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 | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140585
((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-5-ethyl-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H24ClN5O3/c1-3-28-22(32)20-21(30-14-17(26-23(28)30)11-15-7-5-4-6-8-15)27-24(33-2)29(20)13-16-9-10-19(31)18(25)12-16/h4-10,12,17,31H,3,11,13-14H2,1-2H3/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 | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140584
(3-(3-chloro-4-hydroxybenzyl)-5-ethyl-2-methoxy-(6a...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22ClN5O3/c1-3-24-18(28)16-17(26-14-6-4-5-13(14)22-19(24)26)23-20(29-2)25(16)10-11-7-8-15(27)12(21)9-11/h7-9,13-14,27H,3-6,10H2,1-2H3/t13-,14+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140579
(5-ethyl-3-(4-hydroxybenzyl)-4-oxo-(6aR,9aS)-3,4,5,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22N6O3/c1-2-24-19(29)15-17(26-14-5-3-4-13(14)22-20(24)26)23-18(16(21)28)25(15)10-11-6-8-12(27)9-7-11/h6-9,13-14,27H,2-5,10H2,1H3,(H2,21,28)/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140614
((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-2-(benzy...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OCc3ccccc3)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C30H28ClN5O3/c1-2-34-28(38)26-27(36-18-23(32-29(34)36)15-20-9-5-3-6-10-20)33-30(39-19-21-11-7-4-8-12-21)35(26)17-22-13-14-25(37)24(31)16-22/h3-14,16,23,37H,2,15,17-19H2,1H3/t23-/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140605
(3-(3-chloro-4-hydroxybenzyl)-2-ethoxy-5-ethyl-(6aR...)Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(O)c(Cl)c1 |r,c:13| Show InChI InChI=1S/C21H24ClN5O3/c1-3-25-19(29)17-18(27-15-7-5-6-14(15)23-20(25)27)24-21(30-4-2)26(17)11-12-8-9-16(28)13(22)10-12/h8-10,14-15,28H,3-7,11H2,1-2H3/t14-,15+/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 | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140611
((R)-3-(3-bromo-4-methoxybenzyl)-7-benzyl-5-ethyl-2...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C25H26BrN5O3/c1-4-29-23(32)21-22(31-15-18(27-24(29)31)12-16-8-6-5-7-9-16)28-25(34-3)30(21)14-17-10-11-20(33-2)19(26)13-17/h5-11,13,18H,4,12,14-15H2,1-3H3/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 | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140616
(2N-methyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-4-o...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)NC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C22H25ClN6O3/c1-4-27-21(31)17-18(29-15-7-5-6-14(15)25-22(27)29)26-19(20(30)24-2)28(17)11-12-8-9-16(32-3)13(23)10-12/h8-10,14-15H,4-7,11H2,1-3H3,(H,24,30)/t14-,15+/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 | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140613
(3-(3-bromo-4-methoxybenzyl)-5-ethyl-2-methoxy-(6aR...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H24BrN5O3/c1-4-25-19(28)17-18(27-15-7-5-6-14(15)23-20(25)27)24-21(30-3)26(17)11-12-8-9-16(29-2)13(22)10-12/h8-10,14-15H,4-7,11H2,1-3H3/t14-,15+/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140578
((R)-3-(3-chloro-4-methoxybenzyl)-7-benzyl-5-ethyl-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C(N)=O)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C25H25ClN6O3/c1-3-30-24(34)20-22(32-14-17(28-25(30)32)11-15-7-5-4-6-8-15)29-23(21(27)33)31(20)13-16-9-10-19(35-2)18(26)12-16/h4-10,12,17H,3,11,13-14H2,1-2H3,(H2,27,33)/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 | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140623
((R)-3-(3-chloro-4-hydroxybenzyl)-7-benzyl-5-ethyl-...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(C(N)=O)n(Cc3ccc(O)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C24H23ClN6O3/c1-2-29-23(34)19-21(31-13-16(27-24(29)31)10-14-6-4-3-5-7-14)28-22(20(26)33)30(19)12-15-8-9-18(32)17(25)11-15/h3-9,11,16,32H,2,10,12-13H2,1H3,(H2,26,33)/t16-/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 | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140622
(5-ethyl-3-(4-methoxybenzyl)-2-(2-phenyl-1-ethynyl)...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C28H27N5O2/c1-3-31-27(34)25-26(33-23-11-7-10-22(23)29-28(31)33)30-24(17-14-19-8-5-4-6-9-19)32(25)18-20-12-15-21(35-2)16-13-20/h4-6,8-9,12-13,15-16,22-23H,3,7,10-11,18H2,1-2H3/t22-,23+/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 | 3.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140587
(2-benzyl-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C26H27N5O2/c1-2-29-25(33)23-24(31-21-10-6-9-20(21)27-26(29)31)28-22(15-17-7-4-3-5-8-17)30(23)16-18-11-13-19(32)14-12-18/h3-5,7-8,11-14,20-21,32H,2,6,9-10,15-16H2,1H3/t20-,21+/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 | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140617
(5-ethyl-3-(4-methoxybenzyl)-4-oxo-(6aR,9aS)-3,4,5,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(N)=O)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H24N6O3/c1-3-25-20(29)16-18(27-15-6-4-5-14(15)23-21(25)27)24-19(17(22)28)26(16)11-12-7-9-13(30-2)10-8-12/h7-10,14-15H,3-6,11H2,1-2H3,(H2,22,28)/t14-,15+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140601
(3-(4-chlorobenzyl)-5-ethyl-2-(2-phenyl-1-ethynyl)-...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccc(Cl)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H24ClN5O/c1-2-31-26(34)24-25(33-22-10-6-9-21(22)29-27(31)33)30-23(16-13-18-7-4-3-5-8-18)32(24)17-19-11-14-20(28)15-12-19/h3-5,7-8,11-12,14-15,21-22H,2,6,9-10,17H2,1H3/t21-,22+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140581
(3-(3-chloro-4-methoxybenzyl)-5-ethyl-2-methoxy-(6a...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(OC)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H24ClN5O3/c1-4-25-19(28)17-18(27-15-7-5-6-14(15)23-20(25)27)24-21(30-3)26(17)11-12-8-9-16(29-2)13(22)10-12/h8-10,14-15H,4-7,11H2,1-3H3/t14-,15+/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 | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140626
(3-(3-bromo-4-methoxybenzyl)-2-ethoxy-5-ethyl-(6aR,...)Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)c(Br)c1 |r,c:13| Show InChI InChI=1S/C22H26BrN5O3/c1-4-26-20(29)18-19(28-16-8-6-7-15(16)24-21(26)28)25-22(31-5-2)27(18)12-13-9-10-17(30-3)14(23)11-13/h9-11,15-16H,4-8,12H2,1-3H3/t15-,16+/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 | 5.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50412432
(CHEMBL484065)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2C2N=CN(Cc3ccc(O)c(Br)c3)C2C1=O |r,c:14,t:3| Show InChI InChI=1S/C19H22BrN5O2/c1-2-24-18(27)16-17(25-14-5-3-4-13(14)22-19(24)25)21-10-23(16)9-11-6-7-15(26)12(20)8-11/h6-8,10,13-14,16-17,26H,2-5,9H2,1H3/t13-,14+,16?,17?/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140627
(5-ethyl-3-(4-methoxybenzyl)-4-oxo-(6aR,9aS)-3,4,5,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#N)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C21H22N6O2/c1-3-25-20(28)18-19(27-16-6-4-5-15(16)23-21(25)27)24-17(11-22)26(18)12-13-7-9-14(29-2)10-8-13/h7-10,15-16H,3-6,12H2,1-2H3/t15-,16+/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 | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140591
(3-(3-bromo-4-methoxybenzyl)-5-ethyl-(6aR,9aS)-3,4,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2ncn(Cc3ccc(OC)c(Br)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22BrN5O2/c1-3-25-19(27)17-18(26-15-6-4-5-14(15)23-20(25)26)22-11-24(17)10-12-7-8-16(28-2)13(21)9-12/h7-9,11,14-15H,3-6,10H2,1-2H3/t14-,15+/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 | 6.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140589
(3-(3-chloro-4-methoxybenzyl)-2-ethoxy-5-ethyl-(6aR...)Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)c(Cl)c1 |r,c:13| Show InChI InChI=1S/C22H26ClN5O3/c1-4-26-20(29)18-19(28-16-8-6-7-15(16)24-21(26)28)25-22(31-5-2)27(18)12-13-9-10-17(30-3)14(23)11-13/h9-11,15-16H,4-8,12H2,1-3H3/t15-,16+/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 |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140612
(CHEMBL285573 | methyl 5-ethyl-3-(4-methoxybenzyl)-...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C(=O)OC)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C22H25N5O4/c1-4-25-20(28)17-18(27-16-7-5-6-15(16)23-22(25)27)24-19(21(29)31-3)26(17)12-13-8-10-14(30-2)11-9-13/h8-11,15-16H,4-7,12H2,1-3H3/t15-,16+/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 | 6.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140625
(5-ethyl-3-(4-hydroxybenzyl)-2-trifluoromethyl-(6aR...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccc(O)cc3)c2C1=O)C(F)(F)F |r,t:3| Show InChI InChI=1S/C20H20F3N5O2/c1-2-26-17(30)15-16(28-14-5-3-4-13(14)24-19(26)28)25-18(20(21,22)23)27(15)10-11-6-8-12(29)9-7-11/h6-9,13-14,29H,2-5,10H2,1H3/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 | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140594
(3-benzyl-5-ethyl-2-(2-phenyl-1-ethynyl)-(6aR,9aS)-...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H25N5O/c1-2-30-26(33)24-25(32-22-15-9-14-21(22)28-27(30)32)29-23(17-16-19-10-5-3-6-11-19)31(24)18-20-12-7-4-8-13-20/h3-8,10-13,21-22H,2,9,14-15,18H2,1H3/t21-,22+/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 | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140609
(3-(3-chloro-4-methoxybenzyl)-5-ethyl-(6aR,9aS)-3,4...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2ncn(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H22ClN5O2/c1-3-25-19(27)17-18(26-15-6-4-5-14(15)23-20(25)26)22-11-24(17)10-12-7-8-16(28-2)13(21)9-12/h7-9,11,14-15H,3-6,10H2,1-2H3/t14-,15+/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 | 8.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140618
((R)-5-((7-benzyl-5-ethyl-2-methoxy-4-oxo-4,5,7,8-t...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(OC)c(c3)C#N)c2C1=O |r,t:3| Show InChI InChI=1S/C26H26N6O3/c1-4-30-24(33)22-23(32-16-20(28-25(30)32)13-17-8-6-5-7-9-17)29-26(35-3)31(22)15-18-10-11-21(34-2)19(12-18)14-27/h5-12,20H,4,13,15-16H2,1-3H3/t20-/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 | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140610
(5-ethyl-2-ethylsulfanyl-3-(4-methoxybenzyl)-(6aR,9...)Show SMILES CCSc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)cc1 |r,c:13| Show InChI InChI=1S/C22H27N5O2S/c1-4-25-20(28)18-19(27-17-8-6-7-16(17)23-21(25)27)24-22(30-5-2)26(18)13-14-9-11-15(29-3)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t16-,17+/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 | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140615
(2-ethoxy-5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4...)Show SMILES CCOc1nc2N3[C@H]4CCC[C@H]4N=C3N(CC)C(=O)c2n1Cc1ccc(OC)cc1 |r,c:13| Show InChI InChI=1S/C22H27N5O3/c1-4-25-20(28)18-19(27-17-8-6-7-16(17)23-21(25)27)24-22(30-5-2)26(18)13-14-9-11-15(29-3)12-10-14/h9-12,16-17H,4-8,13H2,1-3H3/t16-,17+/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 | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140599
(2-benzyl-5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H29N5O2/c1-3-30-26(33)24-25(32-22-11-7-10-21(22)28-27(30)32)29-23(16-18-8-5-4-6-9-18)31(24)17-19-12-14-20(34-2)15-13-19/h4-6,8-9,12-15,21-22H,3,7,10-11,16-17H2,1-2H3/t21-,22+/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 |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140606
(2-amino-5-ethyl-3-(4-hydroxybenzyl)-(6aR,9aS)-3,4,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(N)n(Cc3ccc(O)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C19H22N6O2/c1-2-23-17(27)15-16(25-14-5-3-4-13(14)21-19(23)25)22-18(20)24(15)10-11-6-8-12(26)9-7-11/h6-9,13-14,26H,2-5,10H2,1H3,(H2,20,22)/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 | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140607
(2-benzyl-5-ethyl-3-(4-methylbenzyl)-(6aR,9aS)-3,4,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(C)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H29N5O/c1-3-30-26(33)24-25(32-22-11-7-10-21(22)28-27(30)32)29-23(16-19-8-5-4-6-9-19)31(24)17-20-14-12-18(2)13-15-20/h4-6,8-9,12-15,21-22H,3,7,10-11,16-17H2,1-2H3/t21-,22+/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 |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140600
((R)-5-((7-benzyl-5-ethyl-2-methoxy-4-oxo-4,5,7,8-t...)Show SMILES CCN1C2=N[C@H](Cc3ccccc3)CN2c2nc(OC)n(Cc3ccc(O)c(c3)C#N)c2C1=O |r,t:3| Show InChI InChI=1S/C25H24N6O3/c1-3-29-23(33)21-22(31-15-19(27-24(29)31)12-16-7-5-4-6-8-16)28-25(34-2)30(21)14-17-9-10-20(32)18(11-17)13-26/h4-11,19,32H,3,12,14-15H2,1-2H3/t19-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 43 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140596
(3-benzo[d][1,3]dioxol-5-ylmethyl-2-benzyl-5-ethyl-...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc4OCOc4c3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H27N5O3/c1-2-30-26(33)24-25(32-20-10-6-9-19(20)28-27(30)32)29-23(14-17-7-4-3-5-8-17)31(24)15-18-11-12-21-22(13-18)35-16-34-21/h3-5,7-8,11-13,19-20H,2,6,9-10,14-16H2,1H3/t19-,20+/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 | 46 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140597
(5-ethyl-3-(4-methoxybenzyl)-2-trifluoromethyl-(6aR...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccc(OC)cc3)c2C1=O)C(F)(F)F |r,t:3| Show InChI InChI=1S/C21H22F3N5O2/c1-3-27-18(30)16-17(29-15-6-4-5-14(15)25-20(27)29)26-19(21(22,23)24)28(16)11-12-7-9-13(31-2)10-8-12/h7-10,14-15H,3-6,11H2,1-2H3/t14-,15+/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 |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140588
(5-ethyl-3-(4-methoxybenzyl)-(6aR,9aS)-3,4,5,8-tetr...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2ncn(Cc3ccc(OC)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C20H23N5O2/c1-3-24-19(26)17-18(25-16-6-4-5-15(16)22-20(24)25)21-12-23(17)11-13-7-9-14(27-2)10-8-13/h7-10,12,15-16H,3-6,11H2,1-2H3/t15-,16+/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 | 55 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140602
(2-benzyl-3-(3-chloro-4-methoxybenzyl)-5-ethyl-(6aR...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(OC)c(Cl)c3)c2C1=O |r,t:3| Show InChI InChI=1S/C27H28ClN5O2/c1-3-31-26(34)24-25(33-21-11-7-10-20(21)29-27(31)33)30-23(15-17-8-5-4-6-9-17)32(24)16-18-12-13-22(35-2)19(28)14-18/h4-6,8-9,12-14,20-21H,3,7,10-11,15-16H2,1-2H3/t20-,21+/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 | 58 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140621
(2,3-dibenzyl-5-ethyl-(6aR,9aS)-3,4,5,8-tetrahydroc...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccccc3)c2C1=O |r,t:3| Show InChI InChI=1S/C26H27N5O/c1-2-29-25(32)23-24(31-21-15-9-14-20(21)27-26(29)31)28-22(16-18-10-5-3-6-11-18)30(23)17-19-12-7-4-8-13-19/h3-8,10-13,20-21H,2,9,14-17H2,1H3/t20-,21+/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 | 129 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140592
(2-benzyl-3-(4-chlorobenzyl)-5-ethyl-(6aR,9aS)-3,4,...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C26H26ClN5O/c1-2-30-25(33)23-24(32-21-10-6-9-20(21)28-26(30)32)29-22(15-17-7-4-3-5-8-17)31(23)16-18-11-13-19(27)14-12-18/h3-5,7-8,11-14,20-21H,2,6,9-10,15-16H2,1H3/t20-,21+/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 | 158 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50140586
(3-(4-aminobenzyl)-2-benzyl-5-ethyl-(6aR,9aS)-3,4,5...)Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccc(N)cc3)c2C1=O |r,t:3| Show InChI InChI=1S/C26H28N6O/c1-2-30-25(33)23-24(32-21-10-6-9-20(21)28-26(30)32)29-22(15-17-7-4-3-5-8-17)31(23)16-18-11-13-19(27)14-12-18/h3-5,7-8,11-14,20-21H,2,6,9-10,15-16,27H2,1H3/t20-,21+/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 | 550 | n/a | n/a | n/a | n/a | n/a | n/a |
Universidade Federal de Lavras-UFLA
Curated by ChEMBL
| Assay Description
Inhibition of PDE5 |
Eur J Med Chem 43: 1632-8 (2008)
Article DOI: 10.1016/j.ejmech.2007.10.019
BindingDB Entry DOI: 10.7270/Q2Q81F9P |
More data for this
Ligand-Target Pair | |
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