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14 molecules are shown

Wt: 474.5
BDBM14390
Purchase
Wt: 582.6
BDBM50241308
Wt: 554.6
BDBM50261602
Wt: 554.6
BDBM50261603
Wt: 510.6
BDBM50261154
Wt: 492.5
BDBM50261156
Wt: 852.9
BDBM50261158
Wt: 571.0
BDBM50261647
Wt: 571.0
BDBM50261648
Wt: 586.7
BDBM50261650
Wt: 542.6
BDBM50261652
Wt: 566.6
BDBM50261574
Wt: 504.6
BDBM50287550
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Wt: 460.5
BDBM50287543
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 171 hits for monomerid = 14390,50241308,50261602,50261603,50261154,50261156,50261158,50261647,50261648,50261650,50261652,50261574,50287550,50287543   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 5A


(Rattus norvegicus)
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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1.80n/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
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 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))
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 PDE5 from human corpus cavernosum


Bioorg Med Chem Lett 13: 761-5 (2003)


Article DOI: 10.1016/s0960-894x(02)01036-3
BindingDB Entry DOI: 10.7270/Q29886CM
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

Curated by ChEMBL


Assay Description
Phosphodiesterase 5 activity of human corpus cavernosum


J Med Chem 45: 4094-6 (2002)


Article DOI: 10.1021/jm025545d
BindingDB Entry DOI: 10.7270/Q2R49RGM
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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10n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 5


J Med Chem 48: 3449-62 (2005)


Article DOI: 10.1021/jm040217u
BindingDB Entry DOI: 10.7270/Q21G0N2H
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 6


(Homo sapiens-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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50n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 6


J Med Chem 48: 3449-62 (2005)


Article DOI: 10.1021/jm040217u
BindingDB Entry DOI: 10.7270/Q21G0N2H
More data for this
Ligand-Target Pair
Adenosine receptor A2a


(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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200n/an/an/an/an/an/an/an/a



Radboud University Nijmegen Medical Centre

Curated by ChEMBL


Assay Description
Displacement of [3H]ZM241385 from human AA2AR expressed in HEK293T cells after 2 hrs by liquid scintillation counter


J Med Chem 55: 5311-25 (2012)


Article DOI: 10.1021/jm300280e
BindingDB Entry DOI: 10.7270/Q2N58NFZ
More data for this
Ligand-Target Pair
Multidrug resistance-associated protein 5


(Homo sapiens)
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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1.20E+3n/an/an/an/an/an/an/an/a



University of Troms£

Curated by ChEMBL


Assay Description
Inhibition of ABCC5 in human erythrocytes assessed as inhibition of ATP-mediated [3H]cGMP uptake in inside-out vesicles after 60 mins by liquid scint...


J Med Chem 55: 3049-57 (2012)


Article DOI: 10.1021/jm2014666
BindingDB Entry DOI: 10.7270/Q2SX6F89
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(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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n/an/a 3.31E+3n/an/an/an/an/an/a



TCG Lifesciences Ltd.

Curated by ChEMBL


Assay Description
Inhibition of human ERG


Eur J Med Chem 46: 618-30 (2011)


Article DOI: 10.1016/j.ejmech.2010.11.042
BindingDB Entry DOI: 10.7270/Q2WQ052W
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(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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n/an/a 1.50E+3n/an/an/an/a7.530



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 2 (PDE2A)


(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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n/an/a 3.50E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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n/an/a 1.50E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 4 (PDE4B)


(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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n/an/a 2.00E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 4 (PDE4D)


(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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n/an/a 1.40E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A)


(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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n/an/a 2.20n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 7 (PDE7B)


(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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n/an/a 7.80E+4n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase 8


(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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n/an/a>2.00E+5n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 9 (PDE9A)


(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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n/an/a 5.60E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 10 (PDE10A)


(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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n/an/a 6.80E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
More data for this
Ligand-Target Pair
Phosphodiesterase Type 11 (PDE11A)


(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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n/an/a 6.10E+3n/an/an/an/an/an/a



Plexxikon



Assay Description
Phosphodiesterase activities were assayed in the presence of inhibitor compounds. Measurement takes advantage of the selective binding of 5-AMP or 5-...


Structure 12: 2233-47 (2004)


Article DOI: 10.1016/j.str.2004.10.004
BindingDB Entry DOI: 10.7270/Q25B00Q1
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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n/an/a 3.5n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 6 (PDE6)


(Canis lupus familiaris (Dog))
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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n/an/a 33n/an/an/an/a7.430



Pfizer



Assay Description
PDE5 or PDE6 catalytic activity was monitored by measuring the hydrolysis of [3H]-cGMP to [3H]-GMP using a scintillation proximity assay (SPA). [3H]-...


J Med Chem 49: 3581-94 (2006)


Article DOI: 10.1021/jm060113e
BindingDB Entry DOI: 10.7270/Q2C24TP4
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A)


(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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n/an/a 2.40n/an/an/an/a7.824



University of North Carolina at Chapel Hill



Assay Description
Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...


J Biol Chem 281: 21469-79 (2006)


Article DOI: 10.1074/jbc.M512527200
BindingDB Entry DOI: 10.7270/Q290221F
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 5 (PDE5A) Mutant (663-678 deletion)


(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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n/an/a 5.90n/an/an/an/a7.824



University of North Carolina at Chapel Hill



Assay Description
Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...


J Biol Chem 281: 21469-79 (2006)


Article DOI: 10.1074/jbc.M512527200
BindingDB Entry DOI: 10.7270/Q290221F
More data for this
Ligand-Target Pair
Phosphodiesterase Type 5 (PDE5A) Mutant (661-681 deletion)


(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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n/an/a 188n/an/an/an/a7.824



University of North Carolina at Chapel Hill



Assay Description
Enzymatic activity of the isolated catalytic domains of wild type PDE5A1 and its deletion mutants was assayed by using [3H]cGMP as substrate in a rea...


J Biol Chem 281: 21469-79 (2006)


Article DOI: 10.1074/jbc.M512527200
BindingDB Entry DOI: 10.7270/Q290221F
More data for this
Ligand-Target Pair
Phosphodiesterase (TcrPDEC)


(Trypanosoma cruzi)
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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n/an/a>1.00E+3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
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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n/an/a 3n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


J Biol Chem 287: 11788-97 (2012)


Article DOI: 10.1074/jbc.M111.326777
BindingDB Entry DOI: 10.7270/Q2K9364D
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50287543
PNG
(5-(2-ethoxy-5-(piperazin-1-ylsulfonyl)phenyl)-1-me...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCNCC1
Show InChI InChI=1S/C21H28N6O4S/c1-4-6-16-18-19(26(3)25-16)21(28)24-20(23-18)15-13-14(7-8-17(15)31-5-2)32(29,30)27-11-9-22-10-12-27/h7-8,13,22H,4-6,9-12H2,1-3H3,(H,23,24,28)
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n/an/a 5.70n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rabbit platelets


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 3.60n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from human corpus cavernosum


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50287550
PNG
(5-(2-ethoxy-5-(4-(2-hydroxyethyl)piperazin-1-ylsul...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-18-20-21(27(3)26-18)23(31)25-22(24-20)17-15-16(7-8-19(17)34-5-2)35(32,33)29-11-9-28(10-12-29)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,24,25,31)
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n/an/a 19n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5 from rabbit platelets


Bioorg Med Chem Lett 6: 1819-1824 (1996)


Article DOI: 10.1016/0960-894X(96)00323-X
BindingDB Entry DOI: 10.7270/Q2G73DQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Canis lupus familiaris)
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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n/an/a 1n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) isolated from canine lung


Bioorg Med Chem Lett 13: 2341-5 (2003)


Article DOI: 10.1016/s0960-894x(03)00440-2
BindingDB Entry DOI: 10.7270/Q2WQ04B2
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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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Concentration required to inhibit phosphodiesterase type 5 (PDE5) isolated from corpus cavernosum by 50% was determined


Bioorg Med Chem Lett 12: 3149-52 (2002)


Article DOI: 10.1016/s0960-894x(02)00646-7
BindingDB Entry DOI: 10.7270/Q2S46R83
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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n/an/a 6.60n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 5


Bioorg Med Chem Lett 12: 865-8 (2002)


Article DOI: 10.1016/s0960-894x(02)00030-6
BindingDB Entry DOI: 10.7270/Q21V5D80
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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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of PDE5 from human platelets


Bioorg Med Chem Lett 11: 2461-4 (2001)


Article DOI: 10.1016/s0960-894x(01)00466-8
BindingDB Entry DOI: 10.7270/Q2BK1BM5
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50241308
PNG
((2-{4-[3-(1-Methyl-7-oxo-3-propyl-6,7-dihydro-1H-p...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCP(O)(O)=O)CC1
Show InChI InChI=1S/C24H35N6O7PS/c1-4-6-19-21-22(28(3)27-19)24(31)26-23(25-21)18-16-17(7-8-20(18)37-14-5-2)39(35,36)30-11-9-29(10-12-30)13-15-38(32,33)34/h7-8,16H,4-6,9-15H2,1-3H3,(H,25,26,31)(H2,32,33,34)
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n/an/a 0.940n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
BindingDB Entry DOI: 10.7270/Q290237J
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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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n/an/a 1.80n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 of rabbit platelets


Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
BindingDB Entry DOI: 10.7270/Q290237J
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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n/an/a 11n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 5 (PDE5) from human platelet


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
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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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against human phosphodiesterase 5 (PDE5) enzyme


Bioorg Med Chem Lett 14: 1291-4 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.027
BindingDB Entry DOI: 10.7270/Q2BG2NF0
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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n/an/a 1.60n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 5 from human platelets


Bioorg Med Chem Lett 14: 1577-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.090
BindingDB Entry DOI: 10.7270/Q2G1607Q
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase 11A (PDE11A)


(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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n/an/a 2.30E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 11


Bioorg Med Chem Lett 15: 2365-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.083
BindingDB Entry DOI: 10.7270/Q2TM79MQ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
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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n/an/a 3.5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 5


Bioorg Med Chem Lett 15: 2365-9 (2005)


Article DOI: 10.1016/j.bmcl.2005.02.083
BindingDB Entry DOI: 10.7270/Q2TM79MQ
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261158
PNG
(5-(2-Ethoxy-5-(N-ethanol,N'-5-(2-ethoxy-5-sulfonyl...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCN(CCO)S(=O)(=O)c1ccc(OCC)c(c1)-c1nc2c(CCC)nn(C)c2c(=O)[nH]1
Show InChI InChI=1S/C38H48N10O9S2/c1-7-11-27-31-33(46(5)44-27)37(50)42-35(40-31)25-21-23(13-15-29(25)56-9-3)58(52,53)39-17-18-48(19-20-49)59(54,55)24-14-16-30(57-10-4)26(22-24)36-41-32-28(12-8-2)45-47(6)34(32)38(51)43-36/h13-16,21-22,39,49H,7-12,17-20H2,1-6H3,(H,40,42,50)(H,41,43,51)
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n/an/a 310n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261602
PNG
(5-{2-Ethoxy-5-[(4-(2-fluorophenyl)piperazinylsulph...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccccc1F
Show InChI InChI=1S/C27H31FN6O4S/c1-4-8-21-24-25(32(3)31-21)27(35)30-26(29-24)19-17-18(11-12-23(19)38-5-2)39(36,37)34-15-13-33(14-16-34)22-10-7-6-9-20(22)28/h6-7,9-12,17H,4-5,8,13-16H2,1-3H3,(H,29,30,35)
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n/an/a 60n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261603
PNG
(5-{2-Ethoxy-5-[(4-(4-fluorophenyl)piperazinylsulph...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccc(F)cc1
Show InChI InChI=1S/C27H31FN6O4S/c1-4-6-22-24-25(32(3)31-22)27(35)30-26(29-24)21-17-20(11-12-23(21)38-5-2)39(36,37)34-15-13-33(14-16-34)19-9-7-18(28)8-10-19/h7-12,17H,4-6,13-16H2,1-3H3,(H,29,30,35)
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n/an/a 70n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261154
PNG
(5-(2-Ethoxy-5-(N-phenyl-ethylenediamine-sulfonyl)p...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCNc1ccccc1
Show InChI InChI=1S/C25H30N6O4S/c1-4-9-20-22-23(31(3)30-20)25(32)29-24(28-22)19-16-18(12-13-21(19)35-5-2)36(33,34)27-15-14-26-17-10-7-6-8-11-17/h6-8,10-13,16,26-27H,4-5,9,14-15H2,1-3H3,(H,28,29,32)
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n/an/a 200n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261650
PNG
(5-{2-Ethoxy-5-[4-(1-naphthyl)piperazinylsulphonyl]...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1cccc2ccccc12
Show InChI InChI=1S/C31H34N6O4S/c1-4-9-25-28-29(35(3)34-25)31(38)33-30(32-28)24-20-22(14-15-27(24)41-5-2)42(39,40)37-18-16-36(17-19-37)26-13-8-11-21-10-6-7-12-23(21)26/h6-8,10-15,20H,4-5,9,16-19H2,1-3H3,(H,32,33,38)
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n/an/a 370n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261156
PNG
(5-(2-Ethoxy-5-(N-acetic acid ethylenediamine-sulfo...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCNCC(O)=O
Show InChI InChI=1S/C21H28N6O6S/c1-4-6-15-18-19(27(3)26-15)21(30)25-20(24-18)14-11-13(7-8-16(14)33-5-2)34(31,32)23-10-9-22-12-17(28)29/h7-8,11,22-23H,4-6,9-10,12H2,1-3H3,(H,28,29)(H,24,25,30)
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n/an/a 500n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261647
PNG
(5-{2-Ethoxy-5-[(4-(3-chlorophenyl))piperazinylsulp...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1cccc(Cl)c1
Show InChI InChI=1S/C27H31ClN6O4S/c1-4-7-22-24-25(32(3)31-22)27(35)30-26(29-24)21-17-20(10-11-23(21)38-5-2)39(36,37)34-14-12-33(13-15-34)19-9-6-8-18(28)16-19/h6,8-11,16-17H,4-5,7,12-15H2,1-3H3,(H,29,30,35)
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n/an/a 100n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50261574
PNG
(5-{2-Ethoxy-5-[(4-(1-(2-methoxyphenyl))piperazinyl...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CC1)c1ccccc1OC
Show InChI InChI=1S/C28H34N6O5S/c1-5-9-21-25-26(32(3)31-21)28(35)30-27(29-25)20-18-19(12-13-23(20)39-6-2)40(36,37)34-16-14-33(15-17-34)22-10-7-8-11-24(22)38-4/h7-8,10-13,18H,5-6,9,14-17H2,1-4H3,(H,29,30,35)
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Article
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n/an/a 150n/an/an/an/an/an/a



State University of Campinas

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelets after 5 mins by LC-MS/MS analysis


J Med Chem 51: 2807-15 (2008)


Article DOI: 10.1021/jm701400r
BindingDB Entry DOI: 10.7270/Q2NC6100
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
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