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PubMed code 20400309

Compile data set for download or QSAR
Found 26 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))
BDBM50318137
PNG
((R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1
Show InChI InChI=1S/C20H26F3N9O/c1-3-14-16-17(32(30-14)8-9-33-11-20(21,22)23)18(27-15-4-5-24-12-26-15)29-19(28-16)31-7-6-25-13(2)10-31/h4-5,12-13,25H,3,6-11H2,1-2H3,(H,24,26,27,28,29)/t13-/m1/s1
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n/an/a 0.0700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318144
PNG
(3-ethyl-N-(4-fluorophenyl)-5-(piperazin-1-yl)-1-(2...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccc(F)cc3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H25F4N7O/c1-2-16-17-18(32(30-16)11-12-33-13-21(23,24)25)19(27-15-5-3-14(22)4-6-15)29-20(28-17)31-9-7-26-8-10-31/h3-6,26H,2,7-13H2,1H3,(H,27,28,29)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318136
PNG
((R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimid...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1
Show InChI InChI=1S/C19H24F3N9O/c1-12-9-30(6-5-24-12)18-27-15-13(2)29-31(7-8-32-10-19(20,21)22)16(15)17(28-18)26-14-3-4-23-11-25-14/h3-4,11-12,24H,5-10H2,1-2H3,(H,23,25,26,27,28)/t12-/m1/s1
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n/an/a 0.140n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318135
PNG
(3-ethyl-5-(piperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C19H24F3N9O/c1-2-13-15-16(31(29-13)9-10-32-11-19(20,21)22)17(26-14-3-4-24-12-25-14)28-18(27-15)30-7-5-23-6-8-30/h3-4,12,23H,2,5-11H2,1H3,(H,24,25,26,27,28)
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n/an/a 0.150n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318138
PNG
(3-ethyl-5-(piperazin-1-yl)-1-(2-propoxyethyl)-N-(p...)
Show SMILES CCCOCCn1nc(CC)c2nc(nc(Nc3ccccn3)c12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-3-14-30-15-13-29-19-18(16(4-2)27-29)25-21(28-11-9-22-10-12-28)26-20(19)24-17-7-5-6-8-23-17/h5-8,22H,3-4,9-15H2,1-2H3,(H,23,24,25,26)
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n/an/a 0.300n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318148
PNG
(3-ethyl-N5-methyl-N5-(1-methylpiperidin-4-yl)-N7-(...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N(C)C1CCN(C)CC1
Show InChI InChI=1S/C22H30F3N9O/c1-4-16-18-19(34(31-16)11-12-35-13-22(23,24)25)20(28-17-5-8-26-14-27-17)30-21(29-18)33(3)15-6-9-32(2)10-7-15/h5,8,14-15H,4,6-7,9-13H2,1-3H3,(H,26,27,28,29,30)
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
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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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318140
PNG
(3-ethyl-5-(piperazin-1-yl)-N-(pyridin-2-yl)-1-(2-(...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C20H25F3N8O/c1-2-14-16-17(31(29-14)11-12-32-13-20(21,22)23)18(26-15-5-3-4-6-25-15)28-19(27-16)30-9-7-24-8-10-30/h3-6,24H,2,7-13H2,1H3,(H,25,26,27,28)
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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


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318134
PNG
(3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-y...)
Show SMILES Cc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C20H25F3N8O/c1-13-4-3-5-15(25-13)26-18-17-16(27-19(28-18)30-8-6-24-7-9-30)14(2)29-31(17)10-11-32-12-20(21,22)23/h3-5,24H,6-12H2,1-2H3,(H,25,26,27,28)
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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


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318139
PNG
(3-ethyl-1-(2-isopropoxyethyl)-5-(piperazin-1-yl)-N...)
Show SMILES CCc1nn(CCOC(C)C)c2c(Nc3ccccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H30N8O/c1-4-16-18-19(29(27-16)13-14-30-15(2)3)20(24-17-7-5-6-8-23-17)26-21(25-18)28-11-9-22-10-12-28/h5-8,15,22H,4,9-14H2,1-3H3,(H,23,24,25,26)
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n/an/a 0.860n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318149
PNG
((S)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimid...)
Show SMILES C[C@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1
Show InChI InChI=1S/C19H24F3N9O/c1-12-9-30(6-5-24-12)18-27-15-13(2)29-31(7-8-32-10-19(20,21)22)16(15)17(28-18)26-14-3-4-23-11-25-14/h3-4,11-12,24H,5-10H2,1-2H3,(H,23,25,26,27,28)/t12-/m0/s1
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n/an/a 0.940n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318141
PNG
(3-ethyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-yl...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H27F3N8O/c1-3-15-17-18(32(30-15)11-12-33-13-21(22,23)24)19(27-16-6-4-5-14(2)26-16)29-20(28-17)31-9-7-25-8-10-31/h4-6,25H,3,7-13H2,1-2H3,(H,26,27,28,29)
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n/an/a 1n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
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 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318142
PNG
(3-methyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-y...)
Show SMILES Cc1nn(CCOCC(F)(F)F)c2c(Nc3cc(C)ccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C20H25F3N8O/c1-13-3-4-25-15(11-13)26-18-17-16(27-19(28-18)30-7-5-24-6-8-30)14(2)29-31(17)9-10-32-12-20(21,22)23/h3-4,11,24H,5-10,12H2,1-2H3,(H,25,26,27,28)
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n/an/a 1.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318152
PNG
(4-(3-ethyl-7-(pyrimidin-4-ylamino)-1-(2-(2,2,2-tri...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCNC(=O)C1
Show InChI InChI=1S/C19H22F3N9O2/c1-2-12-15-16(31(29-12)7-8-33-10-19(20,21)22)17(26-13-3-4-23-11-25-13)28-18(27-15)30-6-5-24-14(32)9-30/h3-4,11H,2,5-10H2,1H3,(H,24,32)(H,23,25,26,27,28)
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n/an/a 3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318146
PNG
(5-(1,4-diazepan-1-yl)-3-ethyl-N-(pyrimidin-4-yl)-1...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCCNCC1
Show InChI InChI=1S/C20H26F3N9O/c1-2-14-16-17(32(30-14)10-11-33-12-20(21,22)23)18(27-15-4-6-25-13-26-15)29-19(28-16)31-8-3-5-24-7-9-31/h4,6,13,24H,2-3,5,7-12H2,1H3,(H,25,26,27,28,29)
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n/an/a 3.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318143
PNG
(3-ethyl-N-(4-methylpyridin-2-yl)-5-(piperazin-1-yl...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3cc(C)ccn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C21H27F3N8O/c1-3-15-17-18(32(30-15)10-11-33-13-21(22,23)24)19(27-16-12-14(2)4-5-26-16)29-20(28-17)31-8-6-25-7-9-31/h4-5,12,25H,3,6-11,13H2,1-2H3,(H,26,27,28,29)
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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


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
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



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318151
PNG
(3-ethyl-5-morpholino-N-(pyrimidin-4-yl)-1-(2-(2,2,...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCOCC1
Show InChI InChI=1S/C19H23F3N8O2/c1-2-13-15-16(30(28-13)7-10-32-11-19(20,21)22)17(25-14-3-4-23-12-24-14)27-18(26-15)29-5-8-31-9-6-29/h3-4,12H,2,5-11H2,1H3,(H,23,24,25,26,27)
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n/an/a 3.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318147
PNG
(3-ethyl-5-(4-methyl-1,4-diazepan-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCCN(C)CC1
Show InChI InChI=1S/C21H28F3N9O/c1-3-15-17-18(33(30-15)11-12-34-13-21(22,23)24)19(27-16-5-6-25-14-26-16)29-20(28-17)32-8-4-7-31(2)9-10-32/h5-6,14H,3-4,7-13H2,1-2H3,(H,25,26,27,28,29)
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n/an/a 6.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318150
PNG
(CHEMBL1097983 | N5-(2-aminoethyl)-3-ethyl-N7-(pyri...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(NCCN)nc12
Show InChI InChI=1S/C17H22F3N9O/c1-2-11-13-14(29(28-11)7-8-30-9-17(18,19)20)15(25-12-3-5-22-10-24-12)27-16(26-13)23-6-4-21/h3,5,10H,2,4,6-9,21H2,1H3,(H2,22,23,24,25,26,27)
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n/an/a 9.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (human))
BDBM50318145
PNG
(5-(1,4-diazepan-1-yl)-3-methyl-N-(pyrimidin-4-yl)-...)
Show SMILES Cc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCCNCC1
Show InChI InChI=1S/C19H24F3N9O/c1-13-15-16(31(29-13)9-10-32-11-19(20,21)22)17(26-14-3-5-24-12-25-14)28-18(27-15)30-7-2-4-23-6-8-30/h3,5,12,23H,2,4,6-11H2,1H3,(H,24,25,26,27,28)
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n/an/a 9.80n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50318134
PNG
(3-methyl-N-(6-methylpyridin-2-yl)-5-(piperazin-1-y...)
Show SMILES Cc1nn(CCOCC(F)(F)F)c2c(Nc3cccc(C)n3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C20H25F3N8O/c1-13-4-3-5-15(25-13)26-18-17-16(27-19(28-18)30-8-6-24-7-9-30)14(2)29-31(17)10-11-32-12-20(21,22)23/h3-5,24H,6-12H2,1-2H3,(H,25,26,27,28)
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n/an/a 560n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed by patch clam electrophysiology assay


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50318136
PNG
((R)-3-methyl-5-(3-methylpiperazin-1-yl)-N-(pyrimid...)
Show SMILES C[C@@H]1CN(CCN1)c1nc(Nc2ccncn2)c2n(CCOCC(F)(F)F)nc(C)c2n1
Show InChI InChI=1S/C19H24F3N9O/c1-12-9-30(6-5-24-12)18-27-15-13(2)29-31(7-8-32-10-19(20,21)22)16(15)17(28-18)26-14-3-4-23-11-25-14/h3-4,11-12,24H,5-10H2,1-2H3,(H,23,25,26,27,28)/t12-/m1/s1
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n/an/a 900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed by patch clam electrophysiology assay


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50318137
PNG
((R)-3-ethyl-5-(3-methylpiperazin-1-yl)-N-(pyrimidi...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCN[C@H](C)C1
Show InChI InChI=1S/C20H26F3N9O/c1-3-14-16-17(32(30-14)8-9-33-11-20(21,22)23)18(27-15-4-5-24-12-26-15)29-19(28-16)31-7-6-25-13(2)10-31/h4-5,12-13,25H,3,6-11H2,1-2H3,(H,24,26,27,28,29)/t13-/m1/s1
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n/an/a 1.40E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed by patch clam electrophysiology assay


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50318135
PNG
(3-ethyl-5-(piperazin-1-yl)-N-(pyrimidin-4-yl)-1-(2...)
Show SMILES CCc1nn(CCOCC(F)(F)F)c2c(Nc3ccncn3)nc(nc12)N1CCNCC1
Show InChI InChI=1S/C19H24F3N9O/c1-2-13-15-16(31(29-13)9-10-32-11-19(20,21)22)17(26-14-3-4-24-12-25-14)28-18(27-15)30-7-5-23-6-8-30/h3-4,12,23H,2,5-11H2,1H3,(H,24,25,26,27,28)
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n/an/a 5.10E+3n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed by patch clam electrophysiology assay


Bioorg Med Chem Lett 20: 3125-8 (2010)


Article DOI: 10.1016/j.bmcl.2010.03.106
BindingDB Entry DOI: 10.7270/Q2WH2QXD
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%