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Compile Data Set for Download or QSAR

Found 429 hits with Last Name = 'lanter' and Initial = 'jc'   
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


(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


(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))
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


(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


(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


(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))
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


(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


(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


(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


(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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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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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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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
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))
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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122988
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-methoxy-phenyl)-fu...)
Show SMILES COc1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H22N2O6/c1-35-19-9-6-17(7-10-19)23-12-13-25(38-23)30(34)32-15-21-27(31-22-5-3-2-4-20(22)29(21)33)28(32)18-8-11-24-26(14-18)37-16-36-24/h2-14,28H,15-16H2,1H3,(H,31,33)
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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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122986
PNG
(3-(2,3-Dihydro-benzofuran-5-yl)-2-{5-[4-(4-methyl-...)
Show SMILES CN1CCN(CC1)C(=O)c1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCCc2c1
Show InChI InChI=1S/C36H32N4O5/c1-38-15-17-39(18-16-38)35(42)23-8-6-22(7-9-23)30-12-13-31(45-30)36(43)40-21-27-32(37-28-5-3-2-4-26(28)34(27)41)33(40)25-10-11-29-24(20-25)14-19-44-29/h2-13,20,33H,14-19,21H2,1H3,(H,37,41)
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1.80n/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))
BDBM14390
PNG
(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)
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1.90n/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
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14390
PNG
(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)
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1.90n/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
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122978
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-phenyl-furan-2-carbon...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccccc1
Show InChI InChI=1S/C29H20N2O5/c32-28-19-8-4-5-9-21(19)30-26-20(28)15-31(27(26)18-10-11-23-25(14-18)35-16-34-23)29(33)24-13-12-22(36-24)17-6-2-1-3-7-17/h1-14,27H,15-16H2,(H,30,32)
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2.10n/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))
BDBM50122984
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-bromo-furan-2-carbony...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(Br)o1
Show InChI InChI=1S/C23H15BrN2O5/c24-19-8-7-17(31-19)23(28)26-10-14-20(25-15-4-2-1-3-13(15)22(14)27)21(26)12-5-6-16-18(9-12)30-11-29-16/h1-9,21H,10-11H2,(H,25,27)
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2.10n/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))
BDBM50122979
PNG
(3-Benzo[1,3]dioxol-5-yl-2-benzoyl-1,2,3,4-tetrahyd...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H18N2O4/c28-24-17-8-4-5-9-19(17)26-22-18(24)13-27(25(29)15-6-2-1-3-7-15)23(22)16-10-11-20-21(12-16)31-14-30-20/h1-12,23H,13-14H2,(H,26,28)
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2.5n/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))
BDBM50122979
PNG
(3-Benzo[1,3]dioxol-5-yl-2-benzoyl-1,2,3,4-tetrahyd...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccccc1
Show InChI InChI=1S/C25H18N2O4/c28-24-17-8-4-5-9-19(17)26-22-18(24)13-27(25(29)15-6-2-1-3-7-15)23(22)16-10-11-20-21(12-16)31-14-30-20/h1-12,23H,13-14H2,(H,26,28)
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2.5n/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))
BDBM50122975
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(5-p-tolyl-furan-2-carbo...)
Show SMILES Cc1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C30H22N2O5/c1-17-6-8-18(9-7-17)23-12-13-25(37-23)30(34)32-15-21-27(31-22-5-3-2-4-20(22)29(21)33)28(32)19-10-11-24-26(14-19)36-16-35-24/h2-14,28H,15-16H2,1H3,(H,31,33)
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2.60n/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))
BDBM50122968
PNG
(4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrah...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccc(C=O)cc1
Show InChI InChI=1S/C30H20N2O6/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/h1-13,15,28H,14,16H2,(H,31,34)
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2.60n/an/an/an/an/an/an/an/a



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

Curated by ChEMBL


Assay Description
Inhibition of PDE5


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))
BDBM50122977
PNG
(4-[5-(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrah...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccc(cc1)C#N
Show InChI InChI=1S/C30H19N3O5/c31-14-17-5-7-18(8-6-17)23-11-12-25(38-23)30(35)33-15-21-27(32-22-4-2-1-3-20(22)29(21)34)28(33)19-9-10-24-26(13-19)37-16-36-24/h1-13,28H,15-16H2,(H,32,34)
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2.70n/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50122963
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(pyridine-3-carbonyl)-1,...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1cccnc1
Show InChI InChI=1S/C24H17N3O4/c28-23-16-5-1-2-6-18(16)26-21-17(23)12-27(24(29)15-4-3-9-25-11-15)22(21)14-7-8-19-20(10-14)31-13-30-19/h1-11,22H,12-13H2,(H,26,28)
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3.30n/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))
BDBM50138928
PNG
((S)-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-/m0/s1
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3.5n/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))
BDBM50122965
PNG
(3-Benzo[1,3]dioxol-5-yl-2-[5-(4-dimethylamino-phen...)
Show SMILES CN(C)c1ccc(cc1)-c1ccc(o1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C31H25N3O5/c1-33(2)20-10-7-18(8-11-20)24-13-14-26(39-24)31(36)34-16-22-28(32-23-6-4-3-5-21(23)30(22)35)29(34)19-9-12-25-27(15-19)38-17-37-25/h3-15,29H,16-17H2,1-2H3,(H,32,35)
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3.70n/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50138933
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(3-phenyl-propionyl)-1,2...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)CCc1ccccc1
Show InChI InChI=1S/C27H22N2O4/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,10,13,15-16H2,(H,28,31)
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4.5n/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))
BDBM50122972
PNG
(3-Benzo[1,3]dioxol-5-yl-2-([2,2']bifuranyl-5-carbo...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)c1ccc(o1)-c1ccco1
Show InChI InChI=1S/C27H18N2O6/c30-26-16-4-1-2-5-18(16)28-24-17(26)13-29(25(24)15-7-8-20-23(12-15)34-14-33-20)27(31)22-10-9-21(35-22)19-6-3-11-32-19/h1-12,25H,13-14H2,(H,28,30)
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4.70n/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
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50138931
PNG
(3-Benzo[1,3]dioxol-5-yl-9-oxo-1,3,4,9-tetrahydro-p...)
Show SMILES CN(Cc1ccccc1)C(=O)N1Cc2c(nc3ccccc3c2O)C1c1ccc2OCOc2c1
Show InChI InChI=1S/C27H23N3O4/c1-29(14-17-7-3-2-4-8-17)27(32)30-15-20-24(28-21-10-6-5-9-19(21)26(20)31)25(30)18-11-12-22-23(13-18)34-16-33-22/h2-13,25H,14-16H2,1H3,(H,28,31)
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11n/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))
BDBM50138932
PNG
(3-Benzo[1,3]dioxol-5-yl-2-phenylacetyl-1,2,3,4-tet...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)C(=O)Cc1ccccc1
Show InChI InChI=1S/C26H20N2O4/c29-23(12-16-6-2-1-3-7-16)28-14-19-24(27-20-9-5-4-8-18(20)26(19)30)25(28)17-10-11-21-22(13-17)32-15-31-21/h1-11,13,25H,12,14-15H2,(H,27,30)
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13n/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))
BDBM50138940
PNG
(3-Benzo[1,3]dioxol-5-yl-2-((E)-3-phenyl-allyl)-1,2...)
Show SMILES Oc1c2CN(C\C=C\c3ccccc3)C(c2nc2ccccc12)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H22N2O3/c30-27-20-10-4-5-11-22(20)28-25-21(27)16-29(14-6-9-18-7-2-1-3-8-18)26(25)19-12-13-23-24(15-19)32-17-31-23/h1-13,15,26H,14,16-17H2,(H,28,30)/b9-6+
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23n/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))
BDBM50138937
PNG
(3-Benzo[1,3]dioxol-5-yl-2-phenylmethanesulfonyl-1,...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)S(=O)(=O)Cc1ccccc1
Show InChI InChI=1S/C25H20N2O5S/c28-25-18-8-4-5-9-20(18)26-23-19(25)13-27(33(29,30)14-16-6-2-1-3-7-16)24(23)17-10-11-21-22(12-17)32-15-31-21/h1-12,24H,13-15H2,(H,26,28)
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113n/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))
BDBM50138938
PNG
(3-Benzo[1,3]dioxol-5-yl-2-(2-phenyl-ethenesulfonyl...)
Show SMILES Oc1c2CN(C(c2nc2ccccc12)c1ccc2OCOc2c1)S(=O)(=O)C=Cc1ccccc1 |w:27.32|
Show InChI InChI=1S/C26H20N2O5S/c29-26-19-8-4-5-9-21(19)27-24-20(26)15-28(34(30,31)13-12-17-6-2-1-3-7-17)25(24)18-10-11-22-23(14-18)33-16-32-22/h1-14,25H,15-16H2,(H,27,29)
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118n/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))
BDBM50138934
PNG
(3-Benzo[1,3]dioxol-5-yl-4-methyl-9-oxo-1,3,4,9-tet...)
Show SMILES Cn1c2C(N(Cc2c(=O)c2ccccc12)C(=O)OCc1ccncc1)c1ccc2OCOc2c1
Show InChI InChI=1S/C26H21N3O5/c1-28-20-5-3-2-4-18(20)25(30)19-13-29(26(31)32-14-16-8-10-27-11-9-16)23(24(19)28)17-6-7-21-22(12-17)34-15-33-21/h2-12,23H,13-15H2,1H3
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601n/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
Androgen receptor


(Homo sapiens (Human))
BDBM50201772
PNG
(2-(5,6-dichloro-1H-benzo[d]imidazol-2-yl)-1,1,1-tr...)
Show SMILES CC(C)C(O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F |w:3.3|
Show InChI InChI=1S/C12H11Cl2F3N2O/c1-5(2)11(20,12(15,16)17)10-18-8-3-6(13)7(14)4-9(8)19-10/h3-5,20H,1-2H3,(H,18,19)
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n/an/a 2n/an/an/an/an/an/a



Johnson & Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Binding affinity at androgen receptor expressed in COS cells by whole cell binding assay


Bioorg Med Chem Lett 17: 1784-7 (2007)


Article DOI: 10.1016/j.bmcl.2006.12.045
BindingDB Entry DOI: 10.7270/Q2KW5FQJ
More data for this
Ligand-Target Pair
C-C chemokine receptor-like 2


(Homo sapiens (Human))
BDBM163251
PNG
(US9062048, 1)
Show SMILES Oc1cccnc1C1CCC(CC1)N1CC(C1)NC(=O)CNc1ncnc2ccc(cc12)C(F)(F)F |(-7.25,-.67,;-8.02,.67,;-9.56,.67,;-10.33,2,;-9.56,3.33,;-8.02,3.33,;-7.25,2,;-5.71,2,;-4.94,3.33,;-3.4,3.33,;-2.63,2,;-3.4,.67,;-4.94,.67,;-1.09,2,;,3.09,;1.09,2,;,.91,;2.63,2,;3.4,.67,;2.63,-.67,;4.94,.67,;5.71,2,;7.25,2,;8.02,3.33,;9.56,3.33,;10.33,2,;9.56,.67,;10.33,-.67,;9.56,-2,;8.02,-2,;7.25,-.67,;8.02,.67,;7.25,-3.33,;6.48,-4.67,;5.71,-3.33,;8.02,-4.67,)|
Show InChI InChI=1S/C25H27F3N6O2/c26-25(27,28)16-5-8-20-19(10-16)24(32-14-31-20)30-11-22(36)33-17-12-34(13-17)18-6-3-15(4-7-18)23-21(35)2-1-9-29-23/h1-2,5,8-10,14-15,17-18,35H,3-4,6-7,11-13H2,(H,33,36)(H,30,31,32)
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n/an/a 4n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16...


US Patent US9062048 (2015)


BindingDB Entry DOI: 10.7270/Q2ZP44W1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM50359139
PNG
(CHEMBL1922823)
Show SMILES NC(=O)C(NC1CCC(CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |(46.45,-37.78,;47.78,-38.55,;49.12,-37.78,;47.78,-40.09,;46.44,-40.86,;46.44,-42.4,;45.1,-43.16,;45.1,-44.69,;46.43,-45.47,;47.76,-44.7,;47.77,-43.16,;46.42,-47.01,;45.18,-47.92,;45.66,-49.38,;47.19,-49.37,;48.22,-50.51,;49.72,-50.19,;50.2,-48.72,;49.16,-47.59,;47.67,-47.91,;49.11,-40.86,;49.09,-42.41,;50.42,-43.18,;51.76,-42.42,;51.76,-40.88,;50.43,-40.1,;53.09,-43.2,;53.07,-44.74,;54.42,-42.44,;55.75,-43.22,;57.09,-42.46,;57.09,-40.92,;58.42,-40.16,;58.43,-38.62,;59.76,-40.94,;59.75,-42.48,;61.08,-43.26,;58.41,-43.24,)|
Show InChI InChI=1S/C30H34F2N4O2/c31-22-15-19(16-23(32)17-22)5-10-28(37)36-13-11-21(12-14-36)29(30(33)38)35-24-8-6-20(7-9-24)26-18-34-27-4-2-1-3-25(26)27/h1-5,10,15-18,20-21,24,29,34-35H,6-9,11-14H2,(H2,33,38)/b10-5+
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n/an/a 4n/an/an/an/an/an/a



Johnson& Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Antagonist activity at CCR2 by chemotaxis functional assay


Bioorg Med Chem Lett 21: 7496-501 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.113
BindingDB Entry DOI: 10.7270/Q22J6C9M
More data for this
Ligand-Target Pair
C-C chemokine receptor-like 2


(Homo sapiens (Human))
BDBM163438
PNG
(US9062048, 65)
Show SMILES FC(F)(F)c1ccc2ncnc(NCC(=O)NC3CN(C3)C3CCC(CC3)c3cccnc3)c2c1 |(6.48,-4.67,;7.25,-3.33,;5.71,-3.33,;8.02,-4.67,;8.02,-2,;9.56,-2,;10.33,-.67,;9.56,.67,;10.33,2,;9.56,3.33,;8.02,3.33,;7.25,2,;5.71,2,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;,3.09,;-1.09,2,;,.91,;-2.63,2,;-3.4,3.33,;-4.94,3.33,;-5.71,2,;-4.94,.67,;-3.4,.67,;-7.25,2,;-8.02,3.33,;-9.56,3.33,;-10.33,2,;-9.56,.67,;-8.02,.67,;8.02,.67,;7.25,-.67,)|
Show InChI InChI=1S/C25H27F3N6O/c26-25(27,28)18-5-8-22-21(10-18)24(32-15-31-22)30-12-23(35)33-19-13-34(14-19)20-6-3-16(4-7-20)17-2-1-9-29-11-17/h1-2,5,8-11,15-16,19-20H,3-4,6-7,12-14H2,(H,33,35)(H,30,31,32)
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n/an/a 5n/an/an/an/an/an/a



Janssen Pharmaceutica NV

US Patent


Assay Description
Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va., USA). The THP-1 cells were grown in RPMI-16...


US Patent US9062048 (2015)


BindingDB Entry DOI: 10.7270/Q2ZP44W1
More data for this
Ligand-Target Pair
C-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM141916
PNG
(US8921559, 2a)
Show SMILES NC(=O)C(N[C@H]1CC[C@@H](CC1)c1c[nH]c2ccccc12)C1CCN(CC1)C(=O)\C=C\c1cc(F)cc(F)c1 |r,w:3.2,wU:5.4,wD:8.11,(-.82,1.19,;-2.15,.42,;-3.48,1.19,;-2.15,-1.12,;-3.48,-1.89,;-4.82,-1.12,;-6.15,-1.89,;-7.48,-1.12,;-7.48,.42,;-6.15,1.19,;-4.82,.42,;-8.82,1.19,;-10.28,.71,;-11.19,1.96,;-10.28,3.2,;-10.6,4.71,;-9.46,5.74,;-7.99,5.27,;-7.67,3.76,;-8.82,2.73,;-.82,-1.89,;-.82,-3.43,;.52,-4.2,;1.85,-3.43,;1.85,-1.89,;.52,-1.12,;3.19,-4.2,;3.19,-5.74,;4.52,-3.43,;5.85,-4.2,;7.19,-3.43,;8.52,-4.2,;9.85,-3.43,;11.19,-4.2,;9.85,-1.89,;8.52,-1.12,;8.52,.42,;7.19,-1.89,)|
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US Patent
n/an/a 5n/an/an/an/an/a37



Janssen Pharmaceutica NV

US Patent


Assay Description
MCP-1 Receptor Binding Assay in THP-1 Cells Human monocytic cell line THP-1 cells were obtained from American Type Culture Collection (Manassas, Va.,...


US Patent US8921559 (2014)


BindingDB Entry DOI: 10.7270/Q270804M
More data for this
Ligand-Target Pair
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