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PubMed code 20443228

Compile data set for download or QSAR
Found 35 hits of Enzyme Inhibition Constant Data   
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))
BDBM50316638
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(30-18)12-13-32-5-2)22(27-19-14-16(3)6-11-25-19)29-23(28-20)26-15-17-7-9-24-10-8-17/h6,11,14,17,24H,4-5,7-10,12-13,15H2,1-3H3,(H2,25,26,27,28,29)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316640
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C23H34N8O/c1-4-18-20-21(31(29-18)12-13-32-5-2)22(26-19-14-16(3)6-9-25-19)28-23(27-20)30-10-7-17(15-24)8-11-30/h6,9,14,17H,4-5,7-8,10-13,15,24H2,1-3H3,(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316646
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C22H29N7O3/c1-4-32-12-11-29-19-18(15(3)27-29)25-22(28-9-6-16(7-10-28)21(30)31)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H,30,31)(H,23,24,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316651
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-phenyl-5-(piperazin-1-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccc3)c12)N1CCNCC1
Show InChI InChI=1S/C21H29N7O/c1-3-17-18-19(28(26-17)14-15-29-4-2)20(23-16-8-6-5-7-9-16)25-21(24-18)27-12-10-22-11-13-27/h5-9,22H,3-4,10-15H2,1-2H3,(H,23,24,25)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316642
PNG
((1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CO)CC1
Show InChI InChI=1S/C23H33N7O2/c1-4-18-20-21(30(28-18)12-13-32-5-2)22(25-19-14-16(3)6-9-24-19)27-23(26-20)29-10-7-17(15-31)8-11-29/h6,9,14,17,31H,4-5,7-8,10-13,15H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316639
PNG
(5-(4-(aminomethyl)piperidin-1-yl)-1-(2-ethoxyethyl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CN)CC1
Show InChI InChI=1S/C22H32N8O/c1-4-31-12-11-30-20-19(16(3)28-30)26-22(29-9-6-17(14-23)7-10-29)27-21(20)25-18-13-15(2)5-8-24-18/h5,8,13,17H,4,6-7,9-12,14,23H2,1-3H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316645
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCCC(C1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)11-12-33-5-2)22(26-18-13-15(3)8-9-25-18)28-23(27-19)30-10-6-7-16(14-30)21(24)32/h8-9,13,16H,4-7,10-12,14H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316644
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C23H32N8O2/c1-4-17-19-20(31(29-17)12-13-33-5-2)22(26-18-14-15(3)6-9-25-18)28-23(27-19)30-10-7-16(8-11-30)21(24)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H2,24,32)(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316666
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N5-(1-methylpi...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C24H36N8O/c1-6-19-21-22(32(29-19)14-15-33-7-2)23(26-20-16-17(3)8-11-25-20)28-24(27-21)31(5)18-9-12-30(4)13-10-18/h8,11,16,18H,6-7,9-10,12-15H2,1-5H3,(H,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316643
PNG
(1-(1-(2-ethoxyethyl)-3-methyl-7-(4-methylpyridin-2...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(N)=O
Show InChI InChI=1S/C22H30N8O2/c1-4-32-12-11-30-19-18(15(3)28-30)26-22(29-9-6-16(7-10-29)20(23)31)27-21(19)25-17-13-14(2)5-8-24-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H2,23,31)(H,24,25,26,27)
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n/an/a 0.190n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316663
PNG
(1-(2-ethoxyethyl)-3-ethyl-N7-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(CC)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C22H32N8O/c1-4-17-19-20(30(29-17)12-13-31-5-2)21(26-18-14-15(3)6-11-24-18)28-22(27-19)25-16-7-9-23-10-8-16/h6,11,14,16,23H,4-5,7-10,12-13H2,1-3H3,(H2,24,25,26,27,28)
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316670
PNG
(1-(2-ethoxyethyl)-3-methyl-N7-(4-methylpyridin-2-y...)
Show SMILES CCOCCn1nc(C)c2nc(NCC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C22H32N8O/c1-4-31-12-11-30-20-19(16(3)29-30)27-22(25-14-17-6-8-23-9-7-17)28-21(20)26-18-13-15(2)5-10-24-18/h5,10,13,17,23H,4,6-9,11-12,14H2,1-3H3,(H2,24,25,26,27,28)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316655
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)12-13-30-5-2)20(24-17-14-15(3)6-7-23-17)26-21(25-18)28-10-8-22-9-11-28/h6-7,14,22H,4-5,8-13H2,1-3H3,(H,23,24,25,26)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316650
PNG
(1-(2-ethoxyethyl)-3-ethyl-5-(piperazin-1-yl)-N-(py...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccccn3)c12)N1CCNCC1
Show InChI InChI=1S/C20H28N8O/c1-3-15-17-18(28(26-15)13-14-29-4-2)19(23-16-7-5-6-8-22-16)25-20(24-17)27-11-9-21-10-12-27/h5-8,21H,3-4,9-14H2,1-2H3,(H,22,23,24,25)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316667
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-methyl-N7-(4-methylpy...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N(C)C1CCNC1
Show InChI InChI=1S/C22H32N8O/c1-5-17-19-20(30(28-17)11-12-31-6-2)21(25-18-13-15(3)7-10-24-18)27-22(26-19)29(4)16-8-9-23-14-16/h7,10,13,16,23H,5-6,8-9,11-12,14H2,1-4H3,(H,24,25,26,27)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316649
PNG
(1-(2-ethoxyethyl)-3-methyl-5-(piperazin-1-yl)-N-(p...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3ccccn3)c12)N1CCNCC1
Show InChI InChI=1S/C19H26N8O/c1-3-28-13-12-27-17-16(14(2)25-27)23-19(26-10-8-20-9-11-26)24-18(17)22-15-6-4-5-7-21-15/h4-7,20H,3,8-13H2,1-2H3,(H,21,22,23,24)
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n/an/a 0.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316652
PNG
(1-(2-ethoxyethyl)-3-methyl-N-(6-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cccc(C)n3)c12)N1CCNCC1
Show InChI InChI=1S/C20H28N8O/c1-4-29-13-12-28-18-17(15(3)26-28)24-20(27-10-8-21-9-11-27)25-19(18)23-16-7-5-6-14(2)22-16/h5-7,21H,4,8-13H2,1-3H3,(H,22,23,24,25)
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n/an/a 0.650n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316653
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-(4-methylpyridin-2-yl)...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cccc(C)n3)c12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)13-14-30-5-2)20(24-17-8-6-7-15(3)23-17)26-21(25-18)28-11-9-22-10-12-28/h6-8,22H,4-5,9-14H2,1-3H3,(H,23,24,25,26)
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n/an/a 0.660n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316664
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-(1-methylpiperidin-4-...)
Show SMILES CCOCCn1nc(CC)c2nc(NC3CCN(C)CC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C23H34N8O/c1-5-18-20-21(31(29-18)13-14-32-6-2)22(26-19-15-16(3)7-10-24-19)28-23(27-20)25-17-8-11-30(4)12-9-17/h7,10,15,17H,5-6,8-9,11-14H2,1-4H3,(H2,24,25,26,27,28)
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n/an/a 0.720n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316662
PNG
(5-(1,4-diazepan-1-yl)-1-(2-ethoxyethyl)-3-ethyl-N-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCCNCC1
Show InChI InChI=1S/C22H32N8O/c1-4-17-19-20(30(28-17)13-14-31-5-2)21(25-18-15-16(3)7-9-24-18)27-22(26-19)29-11-6-8-23-10-12-29/h7,9,15,23H,4-6,8,10-14H2,1-3H3,(H,24,25,26,27)
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n/an/a 0.760n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316669
PNG
(5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-ethy...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(N)CC1
Show InChI InChI=1S/C22H32N8O/c1-4-17-19-20(30(28-17)12-13-31-5-2)21(25-18-14-15(3)6-9-24-18)27-22(26-19)29-10-7-16(23)8-11-29/h6,9,14,16H,4-5,7-8,10-13,23H2,1-3H3,(H,24,25,26,27)
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n/an/a 0.780n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316659
PNG
(1-(2-ethoxyethyl)-3-ethyl-5-(4-methylpiperazin-1-y...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCN(C)CC1
Show InChI InChI=1S/C22H32N8O/c1-5-17-19-20(30(27-17)13-14-31-6-2)21(24-18-15-16(3)7-8-23-18)26-22(25-19)29-11-9-28(4)10-12-29/h7-8,15H,5-6,9-14H2,1-4H3,(H,23,24,25,26)
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n/an/a 0.890n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316641
PNG
(1-(2-ethoxyethyl)-3-methyl-N7-(4-methylpyridin-2-y...)
Show SMILES CCOCCn1nc(C)c2nc(NC3CCOCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C21H29N7O2/c1-4-29-12-9-28-19-18(15(3)27-28)25-21(23-16-6-10-30-11-7-16)26-20(19)24-17-13-14(2)5-8-22-17/h5,8,13,16H,4,6-7,9-12H2,1-3H3,(H2,22,23,24,25,26)
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316661
PNG
((S)-1-(2-ethoxyethyl)-3-ethyl-5-(3-methylpiperazin...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCN[C@@H](C)C1
Show InChI InChI=1S/C22H32N8O/c1-5-17-19-20(30(28-17)11-12-31-6-2)21(25-18-13-15(3)7-8-24-18)27-22(26-19)29-10-9-23-16(4)14-29/h7-8,13,16,23H,5-6,9-12,14H2,1-4H3,(H,24,25,26,27)/t16-/m0/s1
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n/an/a 1.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316654
PNG
(1-(2-ethoxyethyl)-3-methyl-N-(4-methylpyridin-2-yl...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCNCC1
Show InChI InChI=1S/C20H28N8O/c1-4-29-12-11-28-18-17(15(3)26-28)24-20(27-9-7-21-8-10-27)25-19(18)23-16-13-14(2)5-6-22-16/h5-6,13,21H,4,7-12H2,1-3H3,(H,22,23,24,25)
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316665
PNG
(1-(2-ethoxyethyl)-3-ethyl-N5-(1-ethylpiperidin-4-y...)
Show SMILES CCOCCn1nc(CC)c2nc(NC3CCN(CC)CC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C24H36N8O/c1-5-19-21-22(32(30-19)14-15-33-7-3)23(27-20-16-17(4)8-11-25-20)29-24(28-21)26-18-9-12-31(6-2)13-10-18/h8,11,16,18H,5-7,9-10,12-15H2,1-4H3,(H2,25,26,27,28,29)
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316648
PNG
(1-(2-ethoxyethyl)-3-methyl-N7-(4-methylpyridin-2-y...)
Show SMILES CCOCCn1nc(C)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C21H30N8O/c1-4-30-12-11-29-19-18(15(3)28-29)26-21(24-16-6-8-22-9-7-16)27-20(19)25-17-13-14(2)5-10-23-17/h5,10,13,16,22H,4,6-9,11-12H2,1-3H3,(H2,23,24,25,26,27)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316668
PNG
(5-(4-aminopiperidin-1-yl)-1-(2-ethoxyethyl)-3-meth...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(N)CC1
Show InChI InChI=1S/C21H30N8O/c1-4-30-12-11-29-19-18(15(3)27-29)25-21(28-9-6-16(22)7-10-28)26-20(19)24-17-13-14(2)5-8-23-17/h5,8,13,16H,4,6-7,9-12,22H2,1-3H3,(H,23,24,25,26)
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n/an/a 2.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316660
PNG
((R)-1-(2-ethoxyethyl)-3-ethyl-5-(3-methylpiperazin...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCN[C@H](C)C1
Show InChI InChI=1S/C22H32N8O/c1-5-17-19-20(30(28-17)11-12-31-6-2)21(25-18-13-15(3)7-8-24-18)27-22(26-19)29-10-9-23-16(4)14-29/h7-8,13,16,23H,5-6,9-12,14H2,1-4H3,(H,24,25,26,27)/t16-/m1/s1
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n/an/a 2.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316658
PNG
(1-(2-ethoxyethyl)-3-methyl-5-(4-methylpiperazin-1-...)
Show SMILES CCOCCn1nc(C)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCN(C)CC1
Show InChI InChI=1S/C21H30N8O/c1-5-30-13-12-29-19-18(16(3)26-29)24-21(28-10-8-27(4)9-11-28)25-20(19)23-17-14-15(2)6-7-22-17/h6-7,14H,5,8-13H2,1-4H3,(H,22,23,24,25)
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n/an/a 2.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316656
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-(5-methylpyridin-2-yl)...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ccc(C)cn3)c12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)12-13-30-5-2)20(24-17-7-6-15(3)14-23-17)26-21(25-18)28-10-8-22-9-11-28/h6-7,14,22H,4-5,8-13H2,1-3H3,(H,23,24,25,26)
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n/an/a 3.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50316657
PNG
(1-(2-ethoxyethyl)-3-ethyl-N-(3-methylpyridin-2-yl)...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3ncccc3C)c12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-4-16-17-18(29(27-16)13-14-30-5-2)20(25-19-15(3)7-6-8-23-19)26-21(24-17)28-11-9-22-10-12-28/h6-8,22H,4-5,9-14H2,1-3H3,(H,23,24,25,26)
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n/an/a 5.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5 in human platelet by assessed as hydrolysis of [3H]cGMP scintillation proximity assay


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50316647
PNG
(1-(1-(2-ethoxyethyl)-3-ethyl-7-(4-methylpyridin-2-...)
Show SMILES CCOCCn1nc(CC)c2nc(nc(Nc3cc(C)ccn3)c12)N1CCC(CC1)C(O)=O
Show InChI InChI=1S/C23H31N7O3/c1-4-17-19-20(30(28-17)12-13-33-5-2)21(25-18-14-15(3)6-9-24-18)27-23(26-19)29-10-7-16(8-11-29)22(31)32/h6,9,14,16H,4-5,7-8,10-13H2,1-3H3,(H,31,32)(H,24,25,26,27)
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n/an/a 1.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophisiology


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50316648
PNG
(1-(2-ethoxyethyl)-3-methyl-N7-(4-methylpyridin-2-y...)
Show SMILES CCOCCn1nc(C)c2nc(NC3CCNCC3)nc(Nc3cc(C)ccn3)c12
Show InChI InChI=1S/C21H30N8O/c1-4-30-12-11-29-19-18(15(3)28-29)26-21(24-16-6-8-22-9-7-16)27-20(19)25-17-13-14(2)5-10-23-17/h5,10,13,16,22H,4,6-9,11-12H2,1-3H3,(H2,23,24,25,26,27)
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n/an/a 2.80E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp electrophisiology


Bioorg Med Chem Lett 20: 3120-4 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.111
BindingDB Entry DOI: 10.7270/Q2K64K0H
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%