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Compile Data Set for Download or QSAR

Found 2463 hits with Last Name = 'sui' and Initial = 'z'   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163573
PNG
((R)-3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-2...)
Show SMILES Oc1c2CN([C@@H](c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H21N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-9,11,13-15,26H,10,12,16H2,(H,32,34)/t26-/m1/s1
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0.0190n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163576
PNG
((R)-3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl...)
Show SMILES Oc1c2CN([C@@H](c2nc2ccccc12)c1ccc2OCCc2c1)c1ccccn1
Show InChI InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)/t23-/m1/s1
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0.120n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163581
PNG
(2-[2,3'']Bipyridinyl-6''-yl-3-(2,3-dihydro-benzofu...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cn1)-c1ccccn1
Show InChI InChI=1S/C29H22N4O2/c34-29-21-5-1-2-7-24(21)32-27-22(29)17-33(28(27)19-8-10-25-18(15-19)12-14-35-25)26-11-9-20(16-31-26)23-6-3-4-13-30-23/h1-11,13,15-16,28H,12,14,17H2,(H,32,34)
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0.150n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122970
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-furan-2-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1cccnc1
Show InChI InChI=1S/C28H19N3O5/c32-27-18-5-1-2-6-20(18)30-25-19(27)14-31(26(25)16-7-8-22-24(12-16)35-15-34-22)28(33)23-10-9-21(36-23)17-4-3-11-29-13-17/h1-13,26H,14-15H2,(H,30,32)
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0.150n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163570
PNG
(2-[5-(3-Benzyl-3H-imidazol-4-yl)-pyridin-2-yl]-3-(...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cn1)-c1cncn1Cc1ccccc1
Show InChI InChI=1S/C34H27N5O2/c40-34-26-8-4-5-9-28(26)37-32-27(34)20-39(33(32)24-10-12-30-23(16-24)14-15-41-30)31-13-11-25(17-36-31)29-18-35-21-38(29)19-22-6-2-1-3-7-22/h1-13,16-18,21,33H,14-15,19-20H2,(H,37,40)
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0.170n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163577
PNG
(3-Benzofuran-5-yl-2-(5-pyridin-2-yl-pyrimidin-2-yl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2occc2c1)c1ncc(cn1)-c1ccccn1
Show InChI InChI=1S/C28H19N5O2/c34-27-20-5-1-2-7-23(20)32-25-21(27)16-33(26(25)18-8-9-24-17(13-18)10-12-35-24)28-30-14-19(15-31-28)22-6-3-4-11-29-22/h1-15,26H,16H2,(H,32,34)
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0.190n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122969
PNG
(3-Benzo[1,3]dioxol-5-yl-2-{5-[4-(4-methyl-piperazi...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C35H30N4O6/c1-37-14-16-38(17-15-37)34(41)22-8-6-21(7-9-22)27-12-13-29(45-27)35(42)39-19-25-31(36-26-5-3-2-4-24(26)33(25)40)32(39)23-10-11-28-30(18-23)44-20-43-28/h2-13,18,32H,14-17,19-20H2,1H3,(H,36,40)
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0.200n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50370143
PNG
(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
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0.210n/an/an/an/an/an/an/an/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
PNG
(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)
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0.210n/an/an/an/an/an/an/an/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))
BDBM50138930
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(3-phenyl-acryloyl)-1,2,...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)C=Cc1ccccc1 |w:26.31|
Show InChI InChI=1S/C27H20N2O4/c30-24(13-10-17-6-2-1-3-7-17)29-15-20-25(28-21-9-5-4-8-19(21)27(20)31)26(29)18-11-12-22-23(14-18)33-16-32-22/h1-14,26H,15-16H2,(H,28,31)
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0.220n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163578
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-4-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1ccncc1
Show InChI InChI=1S/C28H21N5O2/c34-27-21-3-1-2-4-23(21)32-25-22(27)16-33(26(25)19-5-6-24-18(13-19)9-12-35-24)28-30-14-20(15-31-28)17-7-10-29-11-8-17/h1-8,10-11,13-15,26H,9,12,16H2,(H,32,34)
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0.220n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118248
PNG
(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
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0.230n/an/an/an/an/an/an/an/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))
BDBM50138939
PNG
((R)-3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahyd...)
Show SMILES Oc1c2CN([C@@H](c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)OCc1ccncc1
Show InChI InChI=1S/C25H19N3O5/c29-24-17-3-1-2-4-19(17)27-22-18(24)12-28(25(30)31-13-15-7-9-26-10-8-15)23(22)16-5-6-20-21(11-16)33-14-32-20/h1-11,23H,12-14H2,(H,27,29)/t23-/m1/s1
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0.230n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163574
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(2,3-dimethyl...)
Show SMILES Cc1ncc(-c2cnc(nc2)N2Cc3c(nc4ccccc4c3O)C2c2ccc3OCCc3c2)n1C
Show InChI InChI=1S/C28H24N6O2/c1-16-29-14-23(33(16)2)19-12-30-28(31-13-19)34-15-21-25(32-22-6-4-3-5-20(22)27(21)35)26(34)18-7-8-24-17(11-18)9-10-36-24/h3-8,11-14,26H,9-10,15H2,1-2H3,(H,32,35)
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0.240n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122990
PNG
(CHEMBL342159 | N-{4-[5-(3-Benzo[1,3]dioxol-5-yl-9-...)
Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H23N3O7S/c1-41(36,37)32-19-9-6-17(7-10-19)23-12-13-25(40-23)30(35)33-15-21-27(31-22-5-3-2-4-20(22)29(21)34)28(33)18-8-11-24-26(14-18)39-16-38-24/h2-14,28,32H,15-16H2,1H3,(H,31,34)
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0.240n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163571
PNG
(2-[5-(3-Benzyl-2-methyl-3H-imidazol-4-yl)-pyrimidi...)
Show SMILES Cc1ncc(-c2cnc(nc2)N2Cc3c(nc4ccccc4c3O)C2c2ccc3OCCc3c2)n1Cc1ccccc1
Show InChI InChI=1S/C34H28N6O2/c1-21-35-18-29(39(21)19-22-7-3-2-4-8-22)25-16-36-34(37-17-25)40-20-27-31(38-28-10-6-5-9-26(28)33(27)41)32(40)24-11-12-30-23(15-24)13-14-42-30/h2-12,15-18,32H,13-14,19-20H2,1H3,(H,38,41)
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0.240n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163579
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-3-yl-pyrimidi...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)c1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C27H19N5O3/c33-26-19-5-1-2-6-21(19)31-24-20(26)14-32(25(24)16-7-8-22-23(10-16)35-15-34-22)27-29-12-18(13-30-27)17-4-3-9-28-11-17/h1-13,25H,14-15H2,(H,31,33)
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0.290n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118250
PNG
(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)
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0.290n/an/an/an/an/an/an/an/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))
BDBM50138929
PNG
(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-p...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)OCc1ccncc1
Show InChI InChI=1S/C25H19N3O5/c29-24-17-3-1-2-4-19(17)27-22-18(24)12-28(25(30)31-13-15-7-9-26-10-8-15)23(22)16-5-6-20-21(11-16)33-14-32-20/h1-11,23H,12-14H2,(H,27,29)
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0.290n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118252
PNG
(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)
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0.310n/an/an/an/an/an/an/an/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))
BDBM50122974
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-pyridin-4-yl-furan-2-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccncc1
Show InChI InChI=1S/C28H19N3O5/c32-27-18-3-1-2-4-20(18)30-25-19(27)14-31(26(25)17-5-6-22-24(13-17)35-15-34-22)28(33)23-8-7-21(36-23)16-9-11-29-12-10-16/h1-13,26H,14-15H2,(H,30,32)
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0.310n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163572
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-[5-(3-methyl-3H-...)
Show SMILES Cn1cncc1-c1ccc(nc1)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C28H23N5O2/c1-32-16-29-14-23(32)19-7-9-25(30-13-19)33-15-21-26(31-22-5-3-2-4-20(22)28(21)34)27(33)18-6-8-24-17(12-18)10-11-35-24/h2-9,12-14,16,27H,10-11,15H2,1H3,(H,31,34)
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0.330n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50138936
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(3-phenyl-propynoyl)-1,2...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)C#Cc1ccccc1
Show InChI InChI=1S/C27H18N2O4/c30-24(13-10-17-6-2-1-3-7-17)29-15-20-25(28-21-9-5-4-8-19(21)27(20)31)26(29)18-11-12-22-23(14-18)33-16-32-22/h1-9,11-12,14,26H,15-16H2,(H,28,31)
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0.350n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122964
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(6-hydroxy-benzofuran-2-...)
Show SMILES Oc1ccc2cc(oc2c1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C27H18N2O6/c30-16-7-5-14-9-23(35-21(14)11-16)27(32)29-12-18-24(28-19-4-2-1-3-17(19)26(18)31)25(29)15-6-8-20-22(10-15)34-13-33-20/h1-11,25,30H,12-13H2,(H,28,31)
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0.350n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163568
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ncc(cn1)-c1cccnc1
Show InChI InChI=1S/C28H21N5O2/c34-27-21-5-1-2-6-23(21)32-25-22(27)16-33(26(25)18-7-8-24-17(12-18)9-11-35-24)28-30-14-20(15-31-28)19-4-3-10-29-13-19/h1-8,10,12-15,26H,9,11,16H2,(H,32,34)
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0.360n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118255
PNG
(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)
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0.400n/an/an/an/an/an/an/an/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))
BDBM50122966
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(3-hydroxymethyl-phen...)
Show SMILES OCc1cccc(c1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H22N2O6/c33-15-17-4-3-5-18(12-17)23-10-11-25(38-23)30(35)32-14-21-27(31-22-7-2-1-6-20(22)29(21)34)28(32)19-8-9-24-26(13-19)37-16-36-24/h1-13,28,33H,14-16H2,(H,31,34)
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0.470n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163580
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(4-imidazol-1-yl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccc(cc1)-n1ccnc1
Show InChI InChI=1S/C28H22N4O2/c33-28-22-3-1-2-4-24(22)30-26-23(28)16-32(21-8-6-20(7-9-21)31-13-12-29-17-31)27(26)19-5-10-25-18(15-19)11-14-34-25/h1-10,12-13,15,17,27H,11,14,16H2,(H,30,33)
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0.510n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118251
PNG
(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)
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0.520n/an/an/an/an/an/an/an/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


(Rattus norvegicus)
BDBM50118255
PNG
(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)
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0.520n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50118258
PNG
(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)
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0.530n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118258
PNG
(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)
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0.530n/an/an/an/an/an/an/an/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))
BDBM50122971
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(5-pyridin-3-yl-...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)C(=O)c1ccc(o1)-c1cccnc1
Show InChI InChI=1S/C29H21N3O4/c33-28-20-5-1-2-6-22(20)31-26-21(28)16-32(27(26)18-7-8-23-17(14-18)11-13-35-23)29(34)25-10-9-24(36-25)19-4-3-12-30-15-19/h1-10,12,14-15,27H,11,13,16H2,(H,31,33)
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0.530n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50138927
PNG
(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-p...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)OCc1ccccc1
Show InChI InChI=1S/C26H20N2O5/c29-25-18-8-4-5-9-20(18)27-23-19(25)13-28(26(30)31-14-16-6-2-1-3-7-16)24(23)17-10-11-21-22(12-17)33-15-32-21/h1-12,24H,13-15H2,(H,27,29)
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0.580n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122973
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-hydroxymethyl-phen...)
Show SMILES OCc1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H22N2O6/c33-15-17-5-7-18(8-6-17)23-11-12-25(38-23)30(35)32-14-21-27(31-22-4-2-1-3-20(22)29(21)34)28(32)19-9-10-24-26(13-19)37-16-36-24/h1-13,28,33H,14-16H2,(H,31,34)
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0.610n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122983
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-nitro-phenyl)-fura...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C29H19N3O7/c33-28-19-3-1-2-4-21(19)30-26-20(28)14-31(27(26)17-7-10-23-25(13-17)38-15-37-23)29(34)24-12-11-22(39-24)16-5-8-18(9-6-16)32(35)36/h1-13,27H,14-15H2,(H,30,33)
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0.610n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Rattus norvegicus)
BDBM50163575
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-pyridin-2-yl-1,2...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCCc2c1)c1ccccn1
Show InChI InChI=1S/C24H19N3O2/c28-24-17-5-1-2-6-19(17)26-22-18(24)14-27(21-7-3-4-11-25-21)23(22)16-8-9-20-15(13-16)10-12-29-20/h1-9,11,13,23H,10,12,14H2,(H,26,28)
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PubMed
0.650n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 in rat fetal lung fibroblast (RFL-6) cells


J Med Chem 48: 2126-33 (2005)


Article DOI: 10.1021/jm0401098
BindingDB Entry DOI: 10.7270/Q2WH2QR5
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122980
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-thiophen-3-yl-furan-2...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccsc1
Show InChI InChI=1S/C27H18N2O5S/c30-26-17-3-1-2-4-19(17)28-24-18(26)12-29(25(24)15-5-6-21-23(11-15)33-14-32-21)27(31)22-8-7-20(34-22)16-9-10-35-13-16/h1-11,13,25H,12,14H2,(H,28,30)
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PubMed
0.710n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122981
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-hydroxy-phenyl)-fu...)
Show SMILES Oc1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C29H20N2O6/c32-18-8-5-16(6-9-18)22-11-12-24(37-22)29(34)31-14-20-26(30-21-4-2-1-3-19(21)28(20)33)27(31)17-7-10-23-25(13-17)36-15-35-23/h1-13,27,32H,14-15H2,(H,30,33)
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0.730n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122987
PNG
(3-Benzo[1,3]dioxol-5-yl-2-{5-[4-(2-pyrrolidin-1-yl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccc(OCCN2CCCC2)cc1
Show InChI InChI=1S/C35H31N3O6/c39-34-25-5-1-2-6-27(25)36-32-26(34)20-38(33(32)23-9-12-29-31(19-23)43-21-42-29)35(40)30-14-13-28(44-30)22-7-10-24(11-8-22)41-18-17-37-15-3-4-16-37/h1-2,5-14,19,33H,3-4,15-18,20-21H2,(H,36,39)
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0.760n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122989
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(3-trifluoromethyl-ph...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1cccc(c1)C(F)(F)F
Show InChI InChI=1S/C30H19F3N2O5/c31-30(32,33)18-5-3-4-16(12-18)22-10-11-24(40-22)29(37)35-14-20-26(34-21-7-2-1-6-19(21)28(20)36)27(35)17-8-9-23-25(13-17)39-15-38-23/h1-13,27H,14-15H2,(H,34,36)
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PubMed
0.980n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122967
PNG
(4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrah...)
Show SMILES COC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C31H22N2O7/c1-37-31(36)18-8-6-17(7-9-18)23-12-13-25(40-23)30(35)33-15-21-27(32-22-5-3-2-4-20(22)29(21)34)28(33)19-10-11-24-26(14-19)39-16-38-24/h2-14,28H,15-16H2,1H3,(H,32,34)
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0.990n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122976
PNG
(4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrah...)
Show SMILES OC(=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H20N2O7/c33-28-19-3-1-2-4-21(19)31-26-20(28)14-32(27(26)18-9-10-23-25(13-18)38-15-37-23)29(34)24-12-11-22(39-24)16-5-7-17(8-6-16)30(35)36/h1-13,27H,14-15H2,(H,31,33)(H,35,36)
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PubMed
1n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
Glucocorticoid receptor


(Homo sapiens (Human))
BDBM18627
PNG
((10S,11S,14S,15S,17R)-17-[4-(dimethylamino)phenyl]...)
Show SMILES [H][C@@]12CC[C@@](O)(C#CC)[C@@]1(C)C[C@@H](C1=C3CCC(=O)C=C3CC[C@@]21[H])c1ccc(cc1)N(C)C |r,c:14,20|
Show InChI InChI=1S/C29H35NO2/c1-5-15-29(32)16-14-26-24-12-8-20-17-22(31)11-13-23(20)27(24)25(18-28(26,29)2)19-6-9-21(10-7-19)30(3)4/h6-7,9-10,17,24-26,32H,8,11-14,16,18H2,1-4H3/t24-,25+,26-,28-,29-/m0/s1
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PubMed
1n/an/an/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research& Development L.L.C.

Curated by ChEMBL


Assay Description
Antagonist activity at glucocorticoid receptor expressed in human A549 cells assessed as inhibition of corticoid-induced transcription by glucocortic...


Bioorg Med Chem Lett 17: 1471-4 (2007)


Article DOI: 10.1016/j.bmcl.2006.10.003
BindingDB Entry DOI: 10.7270/Q2PN96GJ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50138935
PNG
(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-p...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)NCc1ccccc1
Show InChI InChI=1S/C26H21N3O4/c30-25-18-8-4-5-9-20(18)28-23-19(25)14-29(26(31)27-13-16-6-2-1-3-7-16)24(23)17-10-11-21-22(12-17)33-15-32-21/h1-12,24H,13-15H2,(H,27,31)(H,28,30)
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1.10n/an/an/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development LLC

Curated by ChEMBL


Assay Description
Inhibitory activity against human Phosphodiesterase 5


J Med Chem 47: 656-62 (2004)


Article DOI: 10.1021/jm020521s
BindingDB Entry DOI: 10.7270/Q228070W
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50118256
PNG
(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)
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1.10n/an/an/an/an/an/an/an/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
PNG
(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)
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1.10n/an/an/an/an/an/an/an/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
PNG
(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)
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1.20n/an/an/an/an/an/an/an/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))
BDBM50122982
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(3-nitro-phenyl)-fura...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1cccc(c1)[N+]([O-])=O
Show InChI InChI=1S/C29H19N3O7/c33-28-19-6-1-2-7-21(19)30-26-20(28)14-31(27(26)17-8-9-23-25(13-17)38-15-37-23)29(34)24-11-10-22(39-24)16-4-3-5-18(12-16)32(35)36/h1-13,27H,14-15H2,(H,30,33)
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1.30n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122985
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-(6-hydroxy-benzo...)
Show SMILES Oc1ccc2cc(oc2c1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C28H20N2O5/c31-18-7-5-15-12-24(35-23(15)13-18)28(33)30-14-20-25(29-21-4-2-1-3-19(21)27(20)32)26(30)17-6-8-22-16(11-17)9-10-34-22/h1-8,11-13,26,31H,9-10,14H2,(H,29,32)
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1.70n/an/an/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research & Development L.L.C.

Curated by ChEMBL


Assay Description
Inhibitory activity against Phosphodiesterase 5 (PDE5) was evaluated


J Med Chem 46: 441-4 (2003)


Article DOI: 10.1021/jm0202573
BindingDB Entry DOI: 10.7270/Q2QR4WHQ
More data for this
Ligand-Target Pair
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