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Compile Data Set for Download or QSAR

Found 76 hits Enz. Inhib. hit(s) with all data for entry = 50013090   
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))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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n/an/a 0.700n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126467
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1H-...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ncc[nH]3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H30N6O4/c37-27-16-35(19-7-11-34(15-19)12-8-26-31-9-10-32-26)30(38)23-14-21-20-3-1-2-4-22(20)33-28(21)29(36(23)27)18-5-6-24-25(13-18)40-17-39-24/h1-6,9-10,13,19,23,29,33H,7-8,11-12,14-17H2,(H,31,32)/t19-,23-,29-/m1/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
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126462
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1-m...)
Show SMILES Cn1ccnc1CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C31H32N6O4/c1-34-13-10-32-27(34)9-12-35-11-8-20(16-35)36-17-28(38)37-24(31(36)39)15-22-21-4-2-3-5-23(21)33-29(22)30(37)19-6-7-25-26(14-19)41-18-40-25/h2-7,10,13-14,20,24,30,33H,8-9,11-12,15-18H2,1H3/t20-,24-,30-/m1/s1
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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
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126452
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-11-14-35(17-22)13-10-21-5-3-4-12-33-21)32(39)26-16-24-23-6-1-2-7-25(23)34-30(24)31(37(26)29)20-8-9-27-28(15-20)41-19-40-27/h1-9,12,15,22,26,31,34H,10-11,13-14,16-19H2/t22-,26-,31-/m1/s1
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n/an/a 1.5n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126455
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cccnc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-10-13-35(17-22)12-9-20-4-3-11-33-16-20)32(39)26-15-24-23-5-1-2-6-25(23)34-30(24)31(37(26)29)21-7-8-27-28(14-21)41-19-40-27/h1-8,11,14,16,22,26,31,34H,9-10,12-13,15,17-19H2/t22-,26-,31-/m1/s1
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n/an/a 1.90n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126464
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyra...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cnccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H30N6O4/c38-28-17-36(21-8-12-35(16-21)11-7-20-15-32-9-10-33-20)31(39)25-14-23-22-3-1-2-4-24(22)34-29(23)30(37(25)28)19-5-6-26-27(13-19)41-18-40-26/h1-6,9-10,13,15,21,25,30,34H,7-8,11-12,14,16-18H2/t21-,25-,30-/m1/s1
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n/an/a 2n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126452
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ccccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-11-14-35(17-22)13-10-21-5-3-4-12-33-21)32(39)26-16-24-23-6-1-2-7-25(23)34-30(24)31(37(26)29)20-8-9-27-28(15-20)41-19-40-27/h1-9,12,15,22,26,31,34H,10-11,13-14,16-19H2/t22-,26-,31-/m1/s1
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Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126458
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126455
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyri...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cccnc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H31N5O4/c38-29-18-36(22-10-13-35(17-22)12-9-20-4-3-11-33-16-20)32(39)26-15-24-23-5-1-2-6-25(23)34-30(24)31(37(26)29)21-7-8-27-28(14-21)41-19-40-27/h1-8,11,14,16,22,26,31,34H,9-10,12-13,15,17-19H2/t22-,26-,31-/m1/s1
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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
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126449
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CN(C)C(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)31-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,31H,9-12,14-17H2,1-2H3/t19-,23-,29-/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
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126451
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-me...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-13-11-22(12-14-24)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-15-16-34(19-23)18-21-7-3-2-4-8-21/h2-14,23,28,31,33H,15-20H2,1H3/t23-,28-,31-/m1/s1
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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
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126467
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-{(R)-1-[2-(1H-...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3ncc[nH]3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H30N6O4/c37-27-16-35(19-7-11-34(15-19)12-8-26-31-9-10-32-26)30(38)23-14-21-20-3-1-2-4-22(20)33-28(21)29(36(23)27)18-5-6-24-25(13-18)40-17-39-24/h1-6,9-10,13,19,23,29,33H,7-8,11-12,14-17H2,(H,31,32)/t19-,23-,29-/m1/s1
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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
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126453
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CCNC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-2-31-26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)32-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,32H,2,9-12,14-17H2,1H3,(H,31,36)/t19-,23-,29-/m1/s1
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n/an/a 3.60n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126448
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-but-3-e...)
Show SMILES C=CCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C29H30N4O4/c1-2-3-11-31-12-10-19(15-31)32-16-26(34)33-23(29(32)35)14-21-20-6-4-5-7-22(20)30-27(21)28(33)18-8-9-24-25(13-18)37-17-36-24/h2,4-9,13,19,23,28,30H,1,3,10-12,14-17H2/t19-,23-,28-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126456
PNG
((6R,12aR)-2-[(R)-1-(3-Azetidin-1-yl-3-oxo-propyl)-...)
Show SMILES O=C(CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O)N1CCC1
Show InChI InChI=1S/C31H33N5O5/c37-27(34-10-3-11-34)9-13-33-12-8-20(16-33)35-17-28(38)36-24(31(35)39)15-22-21-4-1-2-5-23(21)32-29(22)30(36)19-6-7-25-26(14-19)41-18-40-25/h1-2,4-7,14,20,24,30,32H,3,8-13,15-18H2/t20-,24-,30-/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126464
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-pyra...)
Show SMILES O=C1CN([C@@H]2CCN(CCc3cnccn3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C31H30N6O4/c38-28-17-36(21-8-12-35(16-21)11-7-20-15-32-9-10-33-20)31(39)25-14-23-22-3-1-2-4-24(22)34-29(23)30(37(25)28)19-5-6-26-27(13-19)41-18-40-26/h1-6,9-10,13,15,21,25,30,34H,7-8,11-12,14,16-18H2/t21-,25-,30-/m1/s1
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n/an/a 4.20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126453
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CCNC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-2-31-26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)32-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,32H,2,9-12,14-17H2,1H3,(H,31,36)/t19-,23-,29-/m1/s1
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n/an/a 4.30n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126449
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES CN(C)C(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)26(36)10-12-33-11-9-19(15-33)34-16-27(37)35-23(30(34)38)14-21-20-5-3-4-6-22(20)31-28(21)29(35)18-7-8-24-25(13-18)40-17-39-24/h3-8,13,19,23,29,31H,9-12,14-17H2,1-2H3/t19-,23-,29-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126456
PNG
((6R,12aR)-2-[(R)-1-(3-Azetidin-1-yl-3-oxo-propyl)-...)
Show SMILES O=C(CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O)N1CCC1
Show InChI InChI=1S/C31H33N5O5/c37-27(34-10-3-11-34)9-13-33-12-8-20(16-33)35-17-28(38)36-24(31(35)39)15-22-21-4-1-2-5-23(21)32-29(22)30(36)19-6-7-25-26(14-19)41-18-40-25/h1-2,4-7,14,20,24,30,32H,3,8-13,15-18H2/t20-,24-,30-/m1/s1
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n/an/a 4.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126458
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-benzyl-...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26-,31-/m1/s1
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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
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126463
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-p-tol...)
Show SMILES Cc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O2/c1-21-11-13-23(14-12-21)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)24-15-16-34(19-24)18-22-7-3-2-4-8-22/h2-14,24,28,31,33H,15-20H2,1H3/t24-,28-,31-/m1/s1
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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
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126451
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-me...)
Show SMILES COc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-13-11-22(12-14-24)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-15-16-34(19-23)18-21-7-3-2-4-8-21/h2-14,23,28,31,33H,15-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 6.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126457
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(3-meth...)
Show SMILES COCCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C29H32N4O5/c1-36-12-4-10-31-11-9-19(15-31)32-16-26(34)33-23(29(32)35)14-21-20-5-2-3-6-22(20)30-27(21)28(33)18-7-8-24-25(13-18)38-17-37-24/h2-3,5-8,13,19,23,28,30H,4,9-12,14-17H2,1H3/t19-,23-,28-/m1/s1
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n/an/a 7.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126470
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES NC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C28H29N5O5/c29-24(34)8-10-31-9-7-17(13-31)32-14-25(35)33-21(28(32)36)12-19-18-3-1-2-4-20(18)30-26(19)27(33)16-5-6-22-23(11-16)38-15-37-22/h1-6,11,17,21,27,30H,7-10,12-15H2,(H2,29,34)/t17-,21-,27-/m1/s1
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n/an/a 8.40n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
O43924/P16499/P18545/P35913/P51160/Q13956


(Homo sapiens (Human))
BDBM50126469
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-propyl-...)
Show SMILES CCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C28H30N4O4/c1-2-10-30-11-9-18(14-30)31-15-25(33)32-22(28(31)34)13-20-19-5-3-4-6-21(19)29-26(20)27(32)17-7-8-23-24(12-17)36-16-35-23/h3-8,12,18,22,27,29H,2,9-11,13-16H2,1H3/t18-,22-,27-/m1/s1
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n/an/a>10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 6 (PDE6) obtained from canine or bovine retina


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126461
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(3-me...)
Show SMILES COc1cccc(c1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-11-7-10-22(16-24)31-30-26(25-12-5-6-13-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-14-15-34(19-23)18-21-8-3-2-4-9-21/h2-13,16,23,28,31,33H,14-15,17-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 11.8n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126461
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(3-me...)
Show SMILES COc1cccc(c1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-11-7-10-22(16-24)31-30-26(25-12-5-6-13-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-14-15-34(19-23)18-21-8-3-2-4-9-21/h2-13,16,23,28,31,33H,14-15,17-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 12n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126468
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-hexyl-p...)
Show SMILES CCCCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H34N4O4/c1-2-3-6-12-32-13-11-20(16-32)33-17-27(35)34-24(30(33)36)15-22-21-7-4-5-8-23(21)31-28(22)29(34)19-9-10-25-26(14-19)38-18-37-25/h4-5,7-10,14,20,24,29,31H,2-3,6,11-13,15-18H2,1H3/t20-,24-,29-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126463
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-p-tol...)
Show SMILES Cc1ccc(cc1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O2/c1-21-11-13-23(14-12-21)31-30-26(25-9-5-6-10-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)24-15-16-34(19-24)18-22-7-3-2-4-8-22/h2-14,24,28,31,33H,15-20H2,1H3/t24-,28-,31-/m1/s1
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n/an/a 13n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126461
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(3-me...)
Show SMILES COc1cccc(c1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-11-7-10-22(16-24)31-30-26(25-12-5-6-13-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-14-15-34(19-23)18-21-8-3-2-4-9-21/h2-13,16,23,28,31,33H,14-15,17-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 15.6n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126461
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(3-me...)
Show SMILES COc1cccc(c1)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C32H32N4O3/c1-39-24-11-7-10-22(16-24)31-30-26(25-12-5-6-13-27(25)33-30)17-28-32(38)35(20-29(37)36(28)31)23-14-15-34(19-23)18-21-8-3-2-4-9-21/h2-13,16,23,28,31,33H,14-15,17-20H2,1H3/t23-,28-,31-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126466
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cycl...)
Show SMILES O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N4O4/c35-27-16-33(20-10-12-32(15-20)11-9-18-5-6-18)30(36)24-14-22-21-3-1-2-4-23(21)31-28(22)29(34(24)27)19-7-8-25-26(13-19)38-17-37-25/h1-4,7-8,13,18,20,24,29,31H,5-6,9-12,14-17H2/t20-,24-,29-/m1/s1
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n/an/a 16n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126447
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((S)-1-benzyl-...)
Show SMILES O=C1CN([C@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26+,31+/m0/s1
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n/an/a 17n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126459
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(3-dime...)
Show SMILES CN(C)CC(=O)CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)14-20(36)15-33-10-9-19(13-33)34-16-27(37)35-24(30(34)38)12-22-21-5-3-4-6-23(21)31-28(22)29(35)18-7-8-25-26(11-18)40-17-39-25/h3-8,11,19,24,29,31H,9-10,12-17H2,1-2H3/t19-,24-,29-/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126457
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(3-meth...)
Show SMILES COCCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C29H32N4O5/c1-36-12-4-10-31-11-9-19(15-31)32-16-26(34)33-23(29(32)35)14-21-20-5-2-3-6-22(20)30-27(21)28(33)18-7-8-24-25(13-18)38-17-37-24/h2-3,5-8,13,19,23,28,30H,4,9-12,14-17H2,1H3/t19-,23-,28-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126473
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-(1-benzyl-pipe...)
Show SMILES O=C1CN(C2CCN(Cc3ccccc3)CC2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C33H32N4O4/c38-30-19-36(23-12-14-35(15-13-23)18-21-6-2-1-3-7-21)33(39)27-17-25-24-8-4-5-9-26(24)34-31(25)32(37(27)30)22-10-11-28-29(16-22)41-20-40-28/h1-11,16,23,27,32,34H,12-15,17-20H2/t27-,32-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126468
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-hexyl-p...)
Show SMILES CCCCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H34N4O4/c1-2-3-6-12-32-13-11-20(16-32)33-17-27(35)34-24(30(33)36)15-22-21-7-4-5-8-23(21)31-28(22)29(34)19-9-10-25-26(14-19)38-18-37-25/h4-5,7-10,14,20,24,29,31H,2-3,6,11-13,15-18H2,1H3/t20-,24-,29-/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a 37n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126471
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(6-ox...)
Show SMILES O=C1CN([C@@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc(=O)[nH]c1
Show InChI InChI=1S/C30H29N5O3/c36-26-11-10-20(15-31-26)29-28-23(22-8-4-5-9-24(22)32-28)14-25-30(38)34(18-27(37)35(25)29)21-12-13-33(17-21)16-19-6-2-1-3-7-19/h1-11,15,21,25,29,32H,12-14,16-18H2,(H,31,36)/t21-,25-,29-/m1/s1
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n/an/a 39n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126466
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(2-cycl...)
Show SMILES O=C1CN([C@@H]2CCN(CCC3CC3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C30H32N4O4/c35-27-16-33(20-10-12-32(15-20)11-9-18-5-6-18)30(36)24-14-22-21-3-1-2-4-23(21)31-28(22)29(34(24)27)19-7-8-25-26(13-19)38-17-37-25/h1-4,7-8,13,18,20,24,29,31H,5-6,9-12,14-17H2/t20-,24-,29-/m1/s1
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n/an/a 43n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126459
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-[(R)-1-(3-dime...)
Show SMILES CN(C)CC(=O)CN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C30H33N5O5/c1-32(2)14-20(36)15-33-10-9-19(13-33)34-16-27(37)35-24(30(34)38)12-22-21-5-3-4-6-23(21)31-28(22)29(35)18-7-8-25-26(11-18)40-17-39-25/h3-8,11,19,24,29,31H,9-10,12-17H2,1-2H3/t19-,24-,29-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126470
PNG
(3-[(R)-3-((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-1,4-di...)
Show SMILES NC(=O)CCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C28H29N5O5/c29-24(34)8-10-31-9-7-17(13-31)32-14-25(35)33-21(28(32)36)12-19-18-3-1-2-4-20(18)30-26(19)27(33)16-5-6-22-23(11-16)38-15-37-22/h1-6,11,17,21,27,30H,7-10,12-15H2,(H2,29,34)/t17-,21-,27-/m1/s1
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n/an/a 48n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126460
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-(2-dimethylami...)
Show SMILES CN(C)CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C25H26N4O4/c1-27(2)9-10-28-13-22(30)29-19(25(28)31)12-17-16-5-3-4-6-18(16)26-23(17)24(29)15-7-8-20-21(11-15)33-14-32-20/h3-8,11,19,24,26H,9-10,12-14H2,1-2H3/t19-,24-/m1/s1
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n/an/a 53n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126465
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-(2-morpholin-4...)
Show SMILES O=C1CN(CCN2CCOCC2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C27H28N4O5/c32-24-15-30(8-7-29-9-11-34-12-10-29)27(33)21-14-19-18-3-1-2-4-20(18)28-25(19)26(31(21)24)17-5-6-22-23(13-17)36-16-35-22/h1-6,13,21,26,28H,7-12,14-16H2/t21-,26-/m1/s1
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n/an/a 56n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50126469
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((R)-1-propyl-...)
Show SMILES CCCN1CC[C@H](C1)N1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C28H30N4O4/c1-2-10-30-11-9-18(14-30)31-15-25(33)32-22(28(31)34)13-20-19-5-3-4-6-21(19)29-26(20)27(32)17-7-8-23-24(12-17)36-16-35-23/h3-8,12,18,22,27,29H,2,9-11,13-16H2,1H3/t18-,22-,27-/m1/s1
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n/an/a 57n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 5 (PDE5) obtained from human corpus cavernosum tissue


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126472
PNG
((6R,12aR)-2-((R)-1-Benzyl-pyrrolidin-3-yl)-6-(4-me...)
Show SMILES COc1ccc(cc1C)[C@H]1N2[C@H](Cc3c1[nH]c1ccccc31)C(=O)N(CC2=O)[C@@H]1CCN(Cc2ccccc2)C1
Show InChI InChI=1S/C33H34N4O3/c1-21-16-23(12-13-29(21)40-2)32-31-26(25-10-6-7-11-27(25)34-31)17-28-33(39)36(20-30(38)37(28)32)24-14-15-35(19-24)18-22-8-4-3-5-9-22/h3-13,16,24,28,32,34H,14-15,17-20H2,1-2H3/t24-,28-,32-/m1/s1
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n/an/a 71n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
Dual 3',5'-cyclic-AMP and -GMP phosphodiesterase 11A


(Homo sapiens (Human))
BDBM50126447
PNG
((6R,12aR)-6-Benzo[1,3]dioxol-5-yl-2-((S)-1-benzyl-...)
Show SMILES O=C1CN([C@H]2CCN(Cc3ccccc3)C2)C(=O)[C@H]2Cc3c([nH]c4ccccc34)[C@H](N12)c1ccc2OCOc2c1
Show InChI InChI=1S/C32H30N4O4/c37-29-18-35(22-12-13-34(17-22)16-20-6-2-1-3-7-20)32(38)26-15-24-23-8-4-5-9-25(23)33-30(24)31(36(26)29)21-10-11-27-28(14-21)40-19-39-27/h1-11,14,22,26,31,33H,12-13,15-19H2/t22-,26+,31+/m0/s1
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n/an/a 85n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 11 (PDE11) obtained from recombinant Sf9 expression


Bioorg Med Chem Lett 13: 1425-8 (2003)


BindingDB Entry DOI: 10.7270/Q2GM86N6
More data for this
Ligand-Target Pair
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