Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50037062 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)) | BDBM50370143
(CHEMBL1744059)Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)[C@H]1c1ccc2OCOc2c1 |r| Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-21-27(33-22-6-4-3-5-20(22)29(21)35)28(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,28H,15-16H2,1-2H3,(H,33,35)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118249
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3,4-dimethox...)Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1 Show InChI InChI=1S/C31H26N4O4/c1-37-26-10-7-18(14-27(26)38-2)21-15-32-31(33-16-21)35-17-23-28(34-24-6-4-3-5-22(24)30(23)36)29(35)20-8-9-25-19(13-20)11-12-39-25/h3-10,13-16,29H,11-12,17H2,1-2H3,(H,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118248
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-ph...)Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)[C@H]1c1ccc2OCCc2c1 Show InChI InChI=1S/C30H24N4O3/c1-36-22-9-6-18(7-10-22)21-15-31-30(32-16-21)34-17-24-27(33-25-5-3-2-4-23(25)29(24)35)28(34)20-8-11-26-19(14-20)12-13-37-26/h2-11,14-16,28H,12-13,17H2,1H3,(H,33,35)/t28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118250
(3-(2,3-Dihydro-benzofuran-5-yl)-2-{5-[4-(2-morphol...)Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C35H33N5O4/c41-34-28-3-1-2-4-30(28)38-32-29(34)22-40(33(32)25-7-10-31-24(19-25)11-15-44-31)35-36-20-26(21-37-35)23-5-8-27(9-6-23)43-18-14-39-12-16-42-17-13-39/h1-10,19-21,33H,11-18,22H2,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118252
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-py...)Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C29H22N4O4/c1-35-20-9-6-17(7-10-20)19-13-30-29(31-14-19)33-15-22-26(32-23-5-3-2-4-21(23)28(22)34)27(33)18-8-11-24-25(12-18)37-16-36-24/h2-14,27H,15-16H2,1H3,(H,32,34) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118255
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-methoxy-ph...)Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1 Show InChI InChI=1S/C30H24N4O3/c1-36-22-9-6-18(7-10-22)21-15-31-30(32-16-21)34-17-24-27(33-25-5-3-2-4-23(25)29(24)35)28(34)20-8-11-26-19(14-20)12-13-37-26/h2-11,14-16,28H,12-13,17H2,1H3,(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118251
(3-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-2-[5-(4-meth...)Show SMILES COc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCOc2c1 Show InChI InChI=1S/C30H24N4O4/c1-36-21-9-6-18(7-10-21)20-15-31-30(32-16-20)34-17-23-27(33-24-5-3-2-4-22(24)29(23)35)28(34)19-8-11-25-26(14-19)38-13-12-37-25/h2-11,14-16,28H,12-13,17H2,1H3,(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.520 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118258
(2-{5-[4-(2-Diethylamino-ethoxy)-phenyl]-pyrimidin-...)Show SMILES CCN(CC)CCOc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1 Show InChI InChI=1S/C35H35N5O3/c1-3-39(4-2)16-18-42-27-12-9-23(10-13-27)26-20-36-35(37-21-26)40-22-29-32(38-30-8-6-5-7-28(30)34(29)41)33(40)25-11-14-31-24(19-25)15-17-43-31/h5-14,19-21,33H,3-4,15-18,22H2,1-2H3,(H,38,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.530 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118257
(3-(2,3-Dihydro-benzofuran-5-yl)-2-pyrimidin-2-yl-1...)Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncccn1 Show InChI InChI=1S/C23H18N4O2/c28-22-16-4-1-2-5-18(16)26-20-17(22)13-27(23-24-9-3-10-25-23)21(20)15-6-7-19-14(12-15)8-11-29-19/h1-7,9-10,12,21H,8,11,13H2,(H,26,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118256
(2-[5-(3,4-Dimethoxy-phenyl)-pyrimidin-2-yl]-3-inda...)Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2CCCc2c1 Show InChI InChI=1S/C32H28N4O3/c1-38-27-13-12-21(15-28(27)39-2)23-16-33-32(34-17-23)36-18-25-29(35-26-9-4-3-8-24(26)31(25)37)30(36)22-11-10-19-6-5-7-20(19)14-22/h3-4,8-17,30H,5-7,18H2,1-2H3,(H,35,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118254
(3-Benzo[1,3]dioxol-5-yl-2-pyrimidin-2-yl-1,2,3,4-t...)Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ncccn1 Show InChI InChI=1S/C22H16N4O3/c27-21-14-4-1-2-5-16(14)25-19-15(21)11-26(22-23-8-3-9-24-22)20(19)13-6-7-17-18(10-13)29-12-28-17/h1-10,20H,11-12H2,(H,25,27) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118247
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(4-hydroxy-ph...)Show SMILES Oc1ccc(cc1)-c1cnc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1 Show InChI InChI=1S/C29H22N4O3/c34-21-8-5-17(6-9-21)20-14-30-29(31-15-20)33-16-23-26(32-24-4-2-1-3-22(24)28(23)35)27(33)19-7-10-25-18(13-19)11-12-36-25/h1-10,13-15,27,34H,11-12,16H2,(H,32,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
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
PubMed
| 1.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118253
(1-Benzo[1,3]dioxol-5-yl-2-[5-(3,4-dimethoxy-phenyl...)Show SMILES COc1ccc(cc1OC)-c1cnc(nc1)N1CC(=O)c2c([nH]c3ccccc23)C1c1ccc2OCOc2c1 Show InChI InChI=1S/C30H24N4O5/c1-36-23-9-7-17(11-25(23)37-2)19-13-31-30(32-14-19)34-15-22(35)27-20-5-3-4-6-21(20)33-28(27)29(34)18-8-10-24-26(12-18)39-16-38-24/h3-14,29,33H,15-16H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 8.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
cGMP-specific 3',5'-cyclic phosphodiesterase
(Homo sapiens (Human)) | BDBM50118246
(3-(3,4-Dimethoxy-phenyl)-2-[5-(3,4-dimethoxy-pheny...)Show SMILES COc1ccc(cc1OC)C1N(Cc2c1nc1ccccc1c2O)c1ncc(cn1)-c1ccc(OC)c(OC)c1 Show InChI InChI=1S/C31H28N4O5/c1-37-24-11-9-18(13-26(24)39-3)20-15-32-31(33-16-20)35-17-22-28(34-23-8-6-5-7-21(23)30(22)36)29(35)19-10-12-25(38-2)27(14-19)40-4/h5-16,29H,17H2,1-4H3,(H,34,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Johnson& Johnson Pharmaceutical Research& Development
Curated by ChEMBL
| Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum |
J Med Chem 45: 4094-6 (2002)
BindingDB Entry DOI: 10.7270/Q2R49RGM |
More data for this
Ligand-Target Pair | |
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