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Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'jon jacobsen' and Initial = 'e'   
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))
BDBM50357243
PNG
(CHEMBL1916483)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCCC(C2)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-10-35-11-9-30-19-13-18(16-7-8-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-6-4-5-15(12-17)23(31)32/h7-8,13-15,17H,3-6,9-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357238
PNG
(CHEMBL1916488)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-11-34-12-10-29-18-13-17(16-4-5-19(33-2)24-14-16)26-27-20(18)21(25-23(29)32)28-8-6-15(7-9-28)22(30)31/h4-5,13-15H,3,6-12H2,1-2H3,(H,30,31)
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n/an/a 0.0100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357240
PNG
(CHEMBL1916486)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(CC2)C(O)=O)nc1=O)-c1ccc(OC)nc1 |(2.15,6.01,;.82,5.24,;-.51,6.01,;-1.85,5.24,;-1.85,3.69,;-3.18,2.92,;-3.18,1.38,;-1.85,.61,;-.53,1.37,;.8,.61,;.8,-.93,;-.53,-1.7,;-1.86,-.93,;-3.18,-1.7,;-3.18,-3.24,;-4.51,-4.01,;-5.85,-3.24,;-7.18,-4,;-7.18,-5.54,;-5.85,-6.32,;-4.51,-5.55,;-8.52,-6.31,;-9.85,-5.54,;-8.52,-7.85,;-4.51,-.93,;-4.51,.61,;-5.85,1.37,;2.12,1.39,;2.12,2.92,;3.44,3.7,;4.79,2.93,;6.12,3.71,;7.45,2.95,;4.79,1.39,;3.46,.62,)|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(16-6-9-20(34-2)25-14-16)28-29-21(19)22(27-24(30)33)26-17-7-4-15(5-8-17)23(31)32/h6,9,13-15,17H,3-5,7-8,10-12H2,1-2H3,(H,31,32)(H,26,27,33)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357241
PNG
(CHEMBL1916485)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@@H]2CCCC[C@@H]2C(O)=O)nc1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(15-8-9-20(34-2)25-14-15)28-29-21(19)22(27-24(30)33)26-17-7-5-4-6-16(17)23(31)32/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3,(H,31,32)(H,26,27,33)/t16-,17+/m0/s1
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357234
PNG
(CHEMBL1916475)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(22.74,-11.54,;21.41,-12.31,;20.07,-11.54,;18.74,-12.31,;18.74,-13.85,;17.41,-14.62,;17.41,-16.16,;18.74,-16.94,;20.06,-16.18,;21.39,-16.94,;21.39,-18.48,;20.06,-19.25,;18.73,-18.48,;17.41,-19.24,;17.41,-20.78,;16.08,-21.56,;14.75,-20.78,;13.42,-21.54,;13.41,-23.08,;12.08,-23.85,;14.75,-23.86,;16.09,-23.09,;16.08,-18.48,;16.08,-16.94,;14.74,-16.18,;22.71,-16.16,;22.71,-14.63,;24.03,-13.85,;25.38,-14.61,;26.71,-13.84,;28.04,-14.6,;25.38,-16.16,;24.05,-16.93,)|
Show InChI InChI=1S/C23H30N6O4/c1-3-11-33-12-10-29-19-13-18(15-4-9-20(32-2)24-14-15)27-28-21(19)22(26-23(29)31)25-16-5-7-17(30)8-6-16/h4,9,13-14,16-17,30H,3,5-8,10-12H2,1-2H3,(H,25,26,31)
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n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357239
PNG
(CHEMBL1916487)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-14-18(17-4-5-20(34-2)25-15-17)27-28-22(19)23(26-24(30)33)29-8-6-16(7-9-29)13-21(31)32/h4-5,14-16H,3,6-13H2,1-2H3,(H,31,32)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357250
PNG
(CHEMBL1916476)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NC3CCC(O)CC3)c2nn1 |(6.09,-33.21,;4.75,-32.45,;3.42,-33.22,;2.07,-32.46,;.75,-33.24,;.75,-34.77,;2.09,-35.54,;3.42,-34.77,;-.57,-35.55,;-1.9,-34.79,;-3.22,-35.55,;-4.55,-34.77,;-4.55,-33.23,;-3.22,-32.46,;-3.22,-30.92,;-1.88,-30.15,;-.55,-30.92,;-.55,-32.46,;.78,-30.15,;.78,-31.69,;-5.88,-35.55,;-7.22,-34.79,;-5.88,-37.09,;-4.55,-37.85,;-4.55,-39.4,;-5.88,-40.17,;-7.21,-39.39,;-8.54,-40.16,;-8.55,-41.7,;-9.88,-42.46,;-7.21,-42.47,;-5.87,-41.7,;-3.23,-37.09,;-1.9,-37.86,;-.57,-37.09,)|
Show InChI InChI=1S/C22H25F3N6O4/c1-34-18-7-2-13(11-26-18)16-10-17-19(30-29-16)20(27-14-3-5-15(32)6-4-14)28-21(33)31(17)8-9-35-12-22(23,24)25/h2,7,10-11,14-15,32H,3-6,8-9,12H2,1H3,(H,27,28,33)
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n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357263
PNG
(CHEMBL1916293)
Show SMILES CCCOCCn1c2cc(ncc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(28.17,-7.71,;26.83,-8.48,;25.5,-7.71,;24.17,-8.48,;24.17,-10.02,;22.83,-10.79,;22.83,-12.33,;24.16,-13.11,;25.48,-12.34,;26.81,-13.1,;26.82,-14.65,;25.49,-15.41,;24.16,-14.65,;22.83,-15.41,;22.83,-16.95,;21.5,-17.72,;20.17,-16.95,;18.84,-17.71,;18.84,-19.25,;17.5,-20.02,;20.17,-20.02,;21.51,-19.26,;21.5,-14.65,;21.5,-13.11,;20.17,-12.34,;28.14,-12.33,;28.13,-10.79,;29.46,-10.01,;30.8,-10.78,;32.13,-10,;33.47,-10.77,;30.81,-12.32,;29.48,-13.1,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-20(16-4-9-22(32-2)26-14-16)25-15-19(21)23(28-24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28,31)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50300953
PNG
(3-[(trans-4-hydroxycyclohexyl)amino]-7-(6-methoxyp...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N[C@H]2CC[C@H](O)CC2)c1=O)-c1ccc(OC)nc1 |r,wU:16.16,wD:19.20,(24.97,-.51,;23.64,-1.28,;23.64,-2.82,;22.3,-3.59,;22.3,-5.13,;20.97,-5.9,;20.97,-7.44,;22.3,-8.21,;23.62,-7.45,;24.95,-8.21,;24.95,-9.75,;23.62,-10.52,;22.3,-9.75,;20.97,-10.52,;19.62,-9.75,;18.29,-10.51,;16.96,-9.74,;15.63,-10.51,;14.29,-9.73,;14.3,-8.19,;12.97,-7.41,;15.64,-7.43,;16.97,-8.2,;19.64,-8.21,;18.31,-7.44,;26.28,-7.43,;27.61,-8.2,;28.94,-7.43,;28.94,-5.89,;30.27,-5.11,;31.61,-5.87,;27.59,-5.12,;26.27,-5.9,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-21-13-19(16-4-9-22(32-2)26-14-16)25-15-20(21)28-23(24(29)31)27-17-5-7-18(30)8-6-17/h4,9,13-15,17-18,30H,3,5-8,10-12H2,1-2H3,(H,27,28)/t17-,18-
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357244
PNG
(CHEMBL1916482)
Show SMILES CCCOCCn1c2cc(nnc2c(NC(C)(C)C(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H26N6O5/c1-5-9-32-10-8-27-15-11-14(13-6-7-16(31-4)22-12-13)25-26-17(15)18(23-20(27)30)24-21(2,3)19(28)29/h6-7,11-12H,5,8-10H2,1-4H3,(H,28,29)(H,23,24,30)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357254
PNG
(CHEMBL1916303)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCC(O)=O)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H24N6O5/c1-3-9-31-10-8-26-15-11-14(13-4-5-16(30-2)22-12-13)24-25-18(15)19(23-20(26)29)21-7-6-17(27)28/h4-5,11-12H,3,6-10H2,1-2H3,(H,27,28)(H,21,23,29)
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n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357237
PNG
(CHEMBL1916489)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCCC(C1)C(O)=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H28N6O5/c1-3-10-34-11-9-29-18-12-17(15-6-7-19(33-2)24-13-15)26-27-20(18)21(25-23(29)32)28-8-4-5-16(14-28)22(30)31/h6-7,12-13,16H,3-5,8-11,14H2,1-2H3,(H,30,31)
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n/an/a 0.0600n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357264
PNG
(CHEMBL1916291)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-11-33-14-10-30-21-15-20(18-4-5-22(32-2)27-16-18)26-17-19(21)23(28-24(30)31)25-6-7-29-8-12-34-13-9-29/h4-5,15-17H,3,6-14H2,1-2H3,(H,25,28,31)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357258
PNG
(CHEMBL1916299)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCN2CCOCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-11-33-14-10-30-19-15-18(17-4-5-20(32-2)25-16-17)27-28-21(19)22(26-23(30)31)24-6-7-29-8-12-34-13-9-29/h4-5,15-16H,3,6-14H2,1-2H3,(H,24,26,31)
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n/an/a 0.0900n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357236
PNG
(CHEMBL1916490)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCN(CC(O)=O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H29N7O5/c1-3-11-35-12-10-30-18-13-17(16-4-5-19(34-2)24-14-16)26-27-21(18)22(25-23(30)33)29-8-6-28(7-9-29)15-20(31)32/h4-5,13-14H,3,6-12,15H2,1-2H3,(H,31,32)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357235
PNG
(CHEMBL1916290)
Show SMILES CCCOCCn1c2cc(ncc2c(NCCOC(C)C)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N5O4/c1-5-10-31-12-9-28-20-13-19(17-6-7-21(30-4)26-14-17)25-15-18(20)22(27-23(28)29)24-8-11-32-16(2)3/h6-7,13-16H,5,8-12H2,1-4H3,(H,24,27,29)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357262
PNG
(CHEMBL1916295)
Show SMILES CCCOCCn1c2cc(cnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(25.6,-22.57,;24.26,-23.34,;22.93,-22.57,;21.6,-23.34,;21.6,-24.88,;20.26,-25.65,;20.26,-27.19,;21.59,-27.97,;22.91,-27.21,;24.24,-27.97,;24.25,-29.51,;22.92,-30.28,;21.59,-29.51,;20.26,-30.27,;20.26,-31.81,;18.93,-32.59,;17.6,-31.81,;16.27,-32.57,;16.27,-34.11,;14.93,-34.88,;17.6,-34.89,;18.94,-34.12,;18.93,-29.51,;18.93,-27.97,;17.6,-27.2,;25.57,-27.19,;25.56,-25.65,;26.89,-24.88,;28.23,-25.64,;29.56,-24.87,;30.9,-25.63,;28.23,-27.18,;26.9,-27.96,)|
Show InChI InChI=1S/C24H31N5O4/c1-3-11-33-12-10-29-20-13-17(16-4-9-21(32-2)25-14-16)15-26-22(20)23(28-24(29)31)27-18-5-7-19(30)8-6-18/h4,9,13-15,18-19,30H,3,5-8,10-12H2,1-2H3,(H,27,28,31)
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n/an/a 0.100n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357245
PNG
(CHEMBL1916481)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@H](C)C(O)=O)nc1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C20H24N6O5/c1-4-8-31-9-7-26-15-10-14(13-5-6-16(30-3)21-11-13)24-25-17(15)18(23-20(26)29)22-12(2)19(27)28/h5-6,10-12H,4,7-9H2,1-3H3,(H,27,28)(H,22,23,29)/t12-/m1/s1
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n/an/a 0.130n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50308557
PNG
(3-(4-(2-hydroxyethyl)piperazin-1-yl)-1-(2-propoxye...)
Show SMILES CCCOCCn1c2cc(ncc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-19(18-4-5-22(33-2)26-16-18)25-17-20(21)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
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n/an/a 0.200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357256
PNG
(CHEMBL1916301)
Show SMILES CCCOCCn1c2cc(nnc2c(NCCO)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C19H24N6O4/c1-3-9-29-10-7-25-15-11-14(13-4-5-16(28-2)21-12-13)23-24-17(15)18(20-6-8-26)22-19(25)27/h4-5,11-12,26H,3,6-10H2,1-2H3,(H,20,22,27)
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n/an/a 0.220n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357242
PNG
(CHEMBL1916484)
Show SMILES CCCOCCn1c2cc(nnc2c(N[C@@H]2CCCC[C@H]2C(O)=O)nc1=O)-c1ccc(OC)nc1 |r|
Show InChI InChI=1S/C24H30N6O5/c1-3-11-35-12-10-30-19-13-18(15-8-9-20(34-2)25-14-15)28-29-21(19)22(27-24(30)33)26-17-7-5-4-6-16(17)23(31)32/h8-9,13-14,16-17H,3-7,10-12H2,1-2H3,(H,31,32)(H,26,27,33)/t16-,17-/m1/s1
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n/an/a 0.270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357255
PNG
(CHEMBL1916302)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCC(O)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H28N6O4/c1-3-11-32-12-10-28-18-13-17(15-4-5-19(31-2)23-14-15)25-26-20(18)21(24-22(28)30)27-8-6-16(29)7-9-27/h4-5,13-14,16,29H,3,6-12H2,1-2H3
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n/an/a 0.280n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297795
PNG
(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H33N5O3/c1-33-23-10-7-20(16-27-23)21-8-9-22-25(30-21)31(17-19-5-3-2-4-6-19)26(32)24(29-22)28-15-18-11-13-34-14-12-18/h7-10,16,18-19H,2-6,11-15,17H2,1H3,(H,28,29)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297796
PNG
(4-(cyclohexylmethyl)-6-(2-methoxypyrimidin-5-yl)-2...)
Show SMILES COc1ncc(cn1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H32N6O3/c1-33-25-27-14-19(15-28-25)20-7-8-21-23(30-20)31(16-18-5-3-2-4-6-18)24(32)22(29-21)26-13-17-9-11-34-12-10-17/h7-8,14-15,17-18H,2-6,9-13,16H2,1H3,(H,26,29)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297794
PNG
(2-(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCC(=O)N(C)C)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C24H30N6O3/c1-29(2)21(31)14-26-22-24(32)30(15-16-7-5-4-6-8-16)23-19(27-22)11-10-18(28-23)17-9-12-20(33-3)25-13-17/h9-13,16H,4-8,14-15H2,1-3H3,(H,26,27)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357260
PNG
(CHEMBL1916297)
Show SMILES CCCOCCn1c2cc(cnc2nc(N2CCN(CCO)CC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-20-15-19(18-4-5-21(33-2)25-16-18)17-26-22(20)27-23(24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
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n/an/a 0.350n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357249
PNG
(CHEMBL1916477)
Show SMILES CCOCCn1c2cc(nnc2c(NC2CCC(O)CC2)nc1=O)-c1ccc(OC)nc1 |(4.58,2.49,;4.58,.95,;3.24,.18,;3.24,-1.36,;1.91,-2.13,;1.91,-3.67,;3.24,-4.45,;4.56,-3.68,;5.89,-4.44,;5.89,-5.99,;4.56,-6.75,;3.24,-5.99,;1.91,-6.75,;1.91,-8.29,;.58,-9.06,;-.75,-8.29,;-2.08,-9.05,;-2.09,-10.59,;-3.42,-11.36,;-.75,-11.36,;.59,-10.6,;.58,-5.99,;.58,-4.45,;-.76,-3.68,;7.22,-3.67,;7.21,-2.13,;8.53,-1.35,;9.88,-2.12,;11.21,-1.34,;12.55,-2.11,;9.88,-3.66,;8.55,-4.44,)|
Show InChI InChI=1S/C22H28N6O4/c1-3-32-11-10-28-18-12-17(14-4-9-19(31-2)23-13-14)26-27-20(18)21(25-22(28)30)24-15-5-7-16(29)8-6-15/h4,9,12-13,15-16,29H,3,5-8,10-11H2,1-2H3,(H,24,25,30)
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n/an/a 0.360n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357247
PNG
(CHEMBL1916479)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(NCC(=O)N(C)C)c2nn1
Show InChI InChI=1S/C20H22F3N7O4/c1-29(2)16(31)10-25-18-17-14(30(19(32)26-18)6-7-34-11-20(21,22)23)8-13(27-28-17)12-4-5-15(33-3)24-9-12/h4-5,8-9H,6-7,10-11H2,1-3H3,(H,25,26,32)
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n/an/a 0.380n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297797
PNG
(4-(cyclohexylmethyl)-6-(6-methoxypyridin-3-yl)-2-(...)
Show SMILES COc1ccc(cn1)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H34N6O3/c1-34-23-10-7-20(17-28-23)21-8-9-22-25(30-21)32(18-19-5-3-2-4-6-19)26(33)24(29-22)27-11-12-31-13-15-35-16-14-31/h7-10,17,19H,2-6,11-16,18H2,1H3,(H,27,29)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357248
PNG
(CHEMBL1916478)
Show SMILES CCCOCCn1c2cc(nnc2c(NCC(=O)N(C)C)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C21H27N7O4/c1-5-9-32-10-8-28-16-11-15(14-6-7-17(31-4)22-12-14)25-26-19(16)20(24-21(28)30)23-13-18(29)27(2)3/h6-7,11-12H,5,8-10,13H2,1-4H3,(H,23,24,30)
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n/an/a 0.440n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357252
PNG
(CHEMBL1916473)
Show SMILES COc1ccc(cn1)-c1cc2n(CCOCC(F)(F)F)c(=O)nc(N3CCN(CCO)CC3)c2nn1
Show InChI InChI=1S/C22H26F3N7O4/c1-35-18-3-2-15(13-26-18)16-12-17-19(29-28-16)20(31-6-4-30(5-7-31)8-10-33)27-21(34)32(17)9-11-36-14-22(23,24)25/h2-3,12-13,33H,4-11,14H2,1H3
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n/an/a 0.640n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297798
PNG
(4-(cyclohexylmethyl)-6-(pyridin-4-yl)-2-((tetrahyd...)
Show SMILES O=c1c(NCC2CCOCC2)nc2ccc(nc2n1CC1CCCCC1)-c1ccncc1
Show InChI InChI=1S/C25H31N5O2/c31-25-23(27-16-18-10-14-32-15-11-18)28-22-7-6-21(20-8-12-26-13-9-20)29-24(22)30(25)17-19-4-2-1-3-5-19/h6-9,12-13,18-19H,1-5,10-11,14-17H2,(H,27,28)
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n/an/a 0.900n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297799
PNG
(4-(cyclohexylmethyl)-6-(3,5-dimethylisoxazol-4-yl)...)
Show SMILES Cc1noc(C)c1-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H34N6O3/c1-17-22(18(2)34-29-17)20-8-9-21-24(28-20)31(16-19-6-4-3-5-7-19)25(32)23(27-21)26-10-11-30-12-14-33-15-13-30/h8-9,19H,3-7,10-16H2,1-2H3,(H,26,27)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357253
PNG
(CHEMBL1916304)
Show SMILES CCCOCCn1c2cc(nnc2c(nc1=O)N1CCN(CCO)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C23H31N7O4/c1-3-13-34-14-11-30-19-15-18(17-4-5-20(33-2)24-16-17)26-27-21(19)22(25-23(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-16,31H,3,6-14H2,1-2H3
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n/an/a 1.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357257
PNG
(CHEMBL1916300)
Show SMILES CCCOCCn1c2cc(nnc2c(NC2CCNCC2)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H29N7O3/c1-3-11-32-12-10-29-18-13-17(15-4-5-19(31-2)24-14-15)27-28-20(18)21(26-22(29)30)25-16-6-8-23-9-7-16/h4-5,13-14,16,23H,3,6-12H2,1-2H3,(H,25,26,30)
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Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297800
PNG
(6-(4-fluorophenyl)-4-(4-methoxybenzyl)-2-(2-morpho...)
Show SMILES COc1ccc(Cn2c3nc(ccc3nc(NCCN3CCOCC3)c2=O)-c2ccc(F)cc2)cc1
Show InChI InChI=1S/C27H28FN5O3/c1-35-22-8-2-19(3-9-22)18-33-26-24(11-10-23(31-26)20-4-6-21(28)7-5-20)30-25(27(33)34)29-12-13-32-14-16-36-17-15-32/h2-11H,12-18H2,1H3,(H,29,30)
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357261
PNG
(CHEMBL1916296)
Show SMILES CCCOCCn1c2cc(ncc2c(nc1=O)N1CCN(CCO)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-21-15-20(18-4-5-22(33-2)26-16-18)25-17-19(21)23(27-24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
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n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357246
PNG
(CHEMBL1916480)
Show SMILES CCOCCn1c2cc(nnc2c(NCC(=O)N(C)C)nc1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C20H25N7O4/c1-5-31-9-8-27-15-10-14(13-6-7-16(30-4)21-11-13)24-25-18(15)19(23-20(27)29)22-12-17(28)26(2)3/h6-7,10-11H,5,8-9,12H2,1-4H3,(H,22,23,29)
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297801
PNG
(4-(cyclohexylmethyl)-6-(3,4-difluorophenyl)-2-(2-m...)
Show SMILES Fc1ccc(cc1F)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H31F2N5O2/c27-20-7-6-19(16-21(20)28)22-8-9-23-25(31-22)33(17-18-4-2-1-3-5-18)26(34)24(30-23)29-10-11-32-12-14-35-15-13-32/h6-9,16,18H,1-5,10-15,17H2,(H,29,30)
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357259
PNG
(CHEMBL1916298)
Show SMILES CCCOCCn1c2cc(cnc2c(nc1=O)N1CCN(CCO)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-34-14-11-30-20-15-19(18-4-5-21(33-2)25-16-18)17-26-22(20)23(27-24(30)32)29-8-6-28(7-9-29)10-12-31/h4-5,15-17,31H,3,6-14H2,1-2H3
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n/an/a 1.60n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297802
PNG
(6-(3,4-difluorophenyl)-4-(4-methoxybenzyl)-2-(2-mo...)
Show SMILES COc1ccc(Cn2c3nc(ccc3nc(NCCN3CCOCC3)c2=O)-c2ccc(F)c(F)c2)cc1
Show InChI InChI=1S/C27H27F2N5O3/c1-36-20-5-2-18(3-6-20)17-34-26-24(9-8-23(32-26)19-4-7-21(28)22(29)16-19)31-25(27(34)35)30-10-11-33-12-14-37-15-13-33/h2-9,16H,10-15,17H2,1H3,(H,30,31)
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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


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297803
PNG
(6-(6-methoxypyridin-3-yl)-4-(2-propoxyethyl)-2-((t...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCC2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H31N5O4/c1-3-11-32-14-10-29-23-20(6-5-19(28-23)18-4-7-21(31-2)25-16-18)27-22(24(29)30)26-15-17-8-12-33-13-9-17/h4-7,16-17H,3,8-15H2,1-2H3,(H,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


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50357251
PNG
(CHEMBL1916474)
Show SMILES CCOCCn1c2cc(nnc2c(nc1=O)N1CCN(CCO)CC1)-c1ccc(OC)nc1
Show InChI InChI=1S/C22H29N7O4/c1-3-33-13-11-29-18-14-17(16-4-5-19(32-2)23-15-16)25-26-20(18)21(24-22(29)31)28-8-6-27(7-9-28)10-12-30/h4-5,14-15,30H,3,6-13H2,1-2H3
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 21: 6348-52 (2011)


Article DOI: 10.1016/j.bmcl.2011.08.106
BindingDB Entry DOI: 10.7270/Q2J67HB0
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50296252
PNG
(6-(6-methoxypyridin-3-yl)-2-(2-morpholinoethylamin...)
Show SMILES CCCOCCn1c2nc(ccc2nc(NCCN2CCOCC2)c1=O)-c1ccc(OC)nc1
Show InChI InChI=1S/C24H32N6O4/c1-3-13-33-16-12-30-23-20(6-5-19(28-23)18-4-7-21(32-2)26-17-18)27-22(24(30)31)25-8-9-29-10-14-34-15-11-29/h4-7,17H,3,8-16H2,1-2H3,(H,25,27)
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n/an/a 2.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297804
PNG
(6-(4-fluorophenyl)-4-(pyridin-3-ylmethyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cccnc3)c2n1
Show InChI InChI=1S/C25H24FN5O2/c26-20-5-3-19(4-6-20)21-7-8-22-24(30-21)31(16-18-2-1-11-27-14-18)25(32)23(29-22)28-15-17-9-12-33-13-10-17/h1-8,11,14,17H,9-10,12-13,15-16H2,(H,28,29)
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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


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297805
PNG
(4-(3,5-difluorobenzyl)-6-(4-fluorophenyl)-2-((tetr...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(Cc3cc(F)cc(F)c3)c2n1
Show InChI InChI=1S/C26H23F3N4O2/c27-19-3-1-18(2-4-19)22-5-6-23-25(32-22)33(15-17-11-20(28)13-21(29)12-17)26(34)24(31-23)30-14-16-7-9-35-10-8-16/h1-6,11-13,16H,7-10,14-15H2,(H,30,31)
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n/an/a 2.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297806
PNG
(4-(cyclohexylmethyl)-6-(6-hydroxypyridin-3-yl)-2-(...)
Show SMILES O=c1ccc(c[nH]1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C25H31N5O3/c31-22-9-6-19(15-26-22)20-7-8-21-24(29-20)30(16-18-4-2-1-3-5-18)25(32)23(28-21)27-14-17-10-12-33-13-11-17/h6-9,15,17-18H,1-5,10-14,16H2,(H,26,31)(H,27,28)
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n/an/a 2.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297807
PNG
(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-((tetrah...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCC3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H31FN4O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)31(17-19-4-2-1-3-5-19)26(32)24(29-23)28-16-18-12-14-33-15-13-18/h6-11,18-19H,1-5,12-17H2,(H,28,29)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297808
PNG
(2-(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-3-oxo-3...)
Show SMILES CN(C)C(=O)CNc1nc2ccc(nc2n(CC2CCCCC2)c1=O)-c1ccc(F)cc1
Show InChI InChI=1S/C24H28FN5O2/c1-29(2)21(31)14-26-22-24(32)30(15-16-6-4-3-5-7-16)23-20(27-22)13-12-19(28-23)17-8-10-18(25)11-9-17/h8-13,16H,3-7,14-15H2,1-2H3,(H,26,27)
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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 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50297809
PNG
(4-(cyclohexylmethyl)-6-(4-fluorophenyl)-2-(2-morph...)
Show SMILES Fc1ccc(cc1)-c1ccc2nc(NCCN3CCOCC3)c(=O)n(CC3CCCCC3)c2n1
Show InChI InChI=1S/C26H32FN5O2/c27-21-8-6-20(7-9-21)22-10-11-23-25(30-22)32(18-19-4-2-1-3-5-19)26(33)24(29-23)28-12-13-31-14-16-34-17-15-31/h6-11,19H,1-5,12-18H2,(H,28,29)
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n/an/a 4.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE5


Bioorg Med Chem Lett 19: 4088-91 (2009)


Article DOI: 10.1016/j.bmcl.2009.06.012
BindingDB Entry DOI: 10.7270/Q23R0SXR
More data for this
Ligand-Target Pair
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