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Compile Data Set for Download or QSAR

Found 181 hits with Last Name = 'naef' and Initial = 'r'   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50207120
PNG
(3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...)
Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1
Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)
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2.30E+3n/an/an/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


Assay Description
Inhibition of adenosine A1 receptor


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207130
PNG
(8-((6,7-dimethoxy-1-methylisoquinolin-4-yl)methyl)...)
Show SMILES COc1cc2c(C)ncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C23H27N5O4/c1-12(2)11-28-21-20(22(29)27(4)23(28)30)25-19(26-21)7-14-10-24-13(3)15-8-17(31-5)18(32-6)9-16(14)15/h8-10,12H,7,11H2,1-6H3,(H,25,26)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207120
PNG
(3-isobutyl-8-((6-methoxyisoquinolin-4-yl)methyl)-1...)
Show SMILES COc1ccc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2c1
Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)7-14-10-22-9-13-5-6-15(29-4)8-16(13)14/h5-6,8-10,12H,7,11H2,1-4H3,(H,23,24)
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n/an/a 2n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117721
PNG
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)
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n/an/a 3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117734
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1
Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28)
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n/an/a 3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117719
PNG
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C
Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)
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n/an/a 3.5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117711
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27)
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n/an/a 3.5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117724
PNG
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28)
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n/an/a 5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207121
PNG
(CHEMBL245648 | N-(4-((8-((6,7-dimethoxyisoquinolin...)
Show SMILES COc1cc2cncc(Cc3nc4n(Cc5ccc(NS(=O)(=O)C(C)C)cc5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C28H30N6O6S/c1-16(2)41(37,38)32-20-8-6-17(7-9-20)15-34-26-25(27(35)33(3)28(34)36)30-24(31-26)11-19-14-29-13-18-10-22(39-4)23(40-5)12-21(18)19/h6-10,12-14,16,32H,11,15H2,1-5H3,(H,30,31)
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n/an/a 5n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117721
PNG
(3-Isobutyl-1-methyl-8-[5-(piperazin-1-ylmethanesul...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C25H36N6O5S/c1-6-14-36-20-9-8-18(37(34,35)30-12-10-29(7-2)11-13-30)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)28(5)24(21)32/h8-9,15,17H,6-7,10-14,16H2,1-5H3,(H,26,27)
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n/an/a 5.5n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117715
PNG
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)
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n/an/a 6n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207123
PNG
(8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-3-(3-hyd...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)CO)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C22H25N5O5/c1-12(11-28)10-27-20-19(21(29)26(2)22(27)30)24-18(25-20)6-14-9-23-8-13-5-16(31-3)17(32-4)7-15(13)14/h5,7-9,12,28H,6,10-11H2,1-4H3,(H,24,25)
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n/an/a 6n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207127
PNG
(8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-1-methyl...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C23H27N5O4/c1-23(2,3)12-28-20-19(21(29)27(4)22(28)30)25-18(26-20)8-14-11-24-10-13-7-16(31-5)17(32-6)9-15(13)14/h7,9-11H,8,12H2,1-6H3,(H,25,26)
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n/an/a 8n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207132
PNG
(8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-3-isobut...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C22H25N5O4/c1-12(2)11-27-20-19(21(28)26(3)22(27)29)24-18(25-20)7-14-10-23-9-13-6-16(30-4)17(31-5)8-15(13)14/h6,8-10,12H,7,11H2,1-5H3,(H,24,25)
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n/an/a 9n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117707
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)
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n/an/a 9n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117715
PNG
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 2 and 5 (PDE2 and PDE5)


(Homo sapiens (Human))
BDBM50117715
PNG
(3-Isobutyl-1-methyl-8-[5-(4-methyl-piperazine-1-su...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-13-35-19-8-7-17(36(33,34)29-11-9-27(4)10-12-29)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)28(5)23(20)31/h7-8,14,16H,6,9-13,15H2,1-5H3,(H,25,26)
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n/an/a 10n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117714
PNG
(CHEMBL90164 | N-(2-Dimethylamino-ethyl)-N-ethyl-3-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(CC)CCN(C)C
Show InChI InChI=1S/C25H38N6O5S/c1-8-14-36-20-11-10-18(37(34,35)30(9-2)13-12-28(5)6)15-19(20)22-26-21-23(27-22)31(16-17(3)4)25(33)29(7)24(21)32/h10-11,15,17H,8-9,12-14,16H2,1-7H3,(H,26,27)
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n/an/a 11n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117729
PNG
(3-Isobutyl-8-{5-[4-(2-methoxy-ethyl)-piperazine-1-...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCOC)CC1
Show InChI InChI=1S/C26H38N6O6S/c1-6-14-38-21-8-7-19(39(35,36)31-11-9-30(10-12-31)13-15-37-5)16-20(21)23-27-22-24(28-23)32(17-18(2)3)26(34)29(4)25(22)33/h7-8,16,18H,6,9-15,17H2,1-5H3,(H,27,28)
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n/an/a 12n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117719
PNG
(4-[3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrah...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC1)C(=O)N(C)C
Show InChI InChI=1S/C26H37N7O6S/c1-7-14-39-20-9-8-18(40(37,38)32-12-10-31(11-13-32)25(35)29(4)5)15-19(20)22-27-21-23(28-22)33(16-17(2)3)26(36)30(6)24(21)34/h8-9,15,17H,7,10-14,16H2,1-6H3,(H,27,28)
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n/an/a 14n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 15n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117711
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperazine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H36N6O6S/c1-5-14-37-20-7-6-18(38(35,36)30-10-8-29(9-11-30)12-13-32)15-19(20)22-26-21-23(27-22)31(16-17(2)3)25(34)28(4)24(21)33/h6-7,15,17,32H,5,8-14,16H2,1-4H3,(H,26,27)
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n/an/a 15n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117732
PNG
(3-Isobutyl-8-[2-isopropoxy-5-(4-methyl-piperazine-...)
Show SMILES CC(C)Cn1c2nc([nH]c2c(=O)n(C)c1=O)-c1cc(ccc1OC(C)C)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-15(2)14-30-22-20(23(31)28(6)24(30)32)25-21(26-22)18-13-17(7-8-19(18)35-16(3)4)36(33,34)29-11-9-27(5)10-12-29/h7-8,13,15-16H,9-12,14H2,1-6H3,(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117722
PNG
(CHEMBL89239 | N-(2-Dimethylamino-ethyl)-3-(3-isobu...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N(C)CCN(C)C
Show InChI InChI=1S/C24H36N6O5S/c1-8-13-35-19-10-9-17(36(33,34)28(6)12-11-27(4)5)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(32)29(7)23(20)31/h9-10,14,16H,8,11-13,15H2,1-7H3,(H,25,26)
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n/an/a 16n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 3


(Homo sapiens (Human))
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117724
PNG
(3-(3-Isobutyl-1-methyl-2,6-dioxo-2,3,6,7-tetrahydr...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(N)(=O)=O
Show InChI InChI=1S/C19H25N5O5S/c1-5-8-29-14-7-6-12(30(20,27)28)9-13(14)16-21-15-17(22-16)24(10-11(2)3)19(26)23(4)18(15)25/h6-7,9,11H,5,8,10H2,1-4H3,(H,21,22)(H2,20,27,28)
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n/an/a 16n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117734
PNG
(8-{5-[4-(2-Hydroxy-ethyl)-piperidine-1-sulfonyl]-2...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCC(CCO)CC1
Show InChI InChI=1S/C26H37N5O6S/c1-5-14-37-21-7-6-19(38(35,36)30-11-8-18(9-12-30)10-13-32)15-20(21)23-27-22-24(28-23)31(16-17(2)3)26(34)29(4)25(22)33/h6-7,15,17-18,32H,5,8-14,16H2,1-4H3,(H,27,28)
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n/an/a 17n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117736
PNG
(8-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C24H34N6O6S/c1-5-36-19-7-6-17(37(34,35)29-10-8-28(9-11-29)12-13-31)14-18(19)21-25-20-22(26-21)30(15-16(2)3)24(33)27(4)23(20)32/h6-7,14,16,31H,5,8-13,15H2,1-4H3,(H,25,26)
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n/an/a 19n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117701
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207131
PNG
(3-(cyclopropylmethyl)-8-((6,7-dimethoxyisoquinolin...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC5CC5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C22H23N5O4/c1-26-21(28)19-20(27(22(26)29)11-12-4-5-12)25-18(24-19)7-14-10-23-9-13-6-16(30-2)17(31-3)8-15(13)14/h6,8-10,12H,4-5,7,11H2,1-3H3,(H,24,25)
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n/an/a 20n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 22n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4D.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117718
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)
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n/an/a 24n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT)
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 25n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4B.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207137
PNG
(8-(bicyclo[2.2.1]heptan-2-ylmethyl)-3-isobutyl-1-m...)
Show SMILES CC(C)Cn1c2nc(CC3CC4CCC3C4)[nH]c2c(=O)n(C)c1=O |THB:8:9:15:13.12|
Show InChI InChI=1S/C18H26N4O2/c1-10(2)9-22-16-15(17(23)21(3)18(22)24)19-14(20-16)8-13-7-11-4-5-12(13)6-11/h10-13H,4-9H2,1-3H3,(H,19,20)
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n/an/a 25n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207125
PNG
(8-((6,7-dimethoxy-3-methylisoquinolin-4-yl)methyl)...)
Show SMILES COc1cc2cnc(C)c(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C23H27N5O4/c1-12(2)11-28-21-20(22(29)27(4)23(28)30)25-19(26-21)9-15-13(3)24-10-14-7-17(31-5)18(32-6)8-16(14)15/h7-8,10,12H,9,11H2,1-6H3,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117708
PNG
(8-[2-Ethoxy-5-(piperazin-1-ylmethanesulfonyl)-phen...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-28-10-12-29(13-11-28)36(33,34)17-8-9-19(35-7-2)18(14-17)21-25-20-22(26-21)30(15-16(3)4)24(32)27(5)23(20)31/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)
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n/an/a 26n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207124
PNG
(3-(cyclohexylmethyl)-8-((6,7-dimethoxyisoquinolin-...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC5CCCCC5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C25H29N5O4/c1-29-24(31)22-23(30(25(29)32)14-15-7-5-4-6-8-15)28-21(27-22)10-17-13-26-12-16-9-19(33-2)20(34-3)11-18(16)17/h9,11-13,15H,4-8,10,14H2,1-3H3,(H,27,28)
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n/an/a 28n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117704
PNG
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)
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n/an/a 28n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207126
PNG
(8-((6,7-dimethoxyisoquinolin-4-yl)methyl)-1-methyl...)
Show SMILES COc1cc2cncc(Cc3nc4n(CC(C)=C)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C22H23N5O4/c1-12(2)11-27-20-19(21(28)26(3)22(27)29)24-18(25-20)7-14-10-23-9-13-6-16(30-4)17(31-5)8-15(13)14/h6,8-10H,1,7,11H2,2-5H3,(H,24,25)
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n/an/a 30n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4A


(Homo sapiens (Human))
BDBM50072197
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethyl-6...)
Show SMILES CCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O5/c1-3-26-28-23-14-25(32-9-8-30)24(31-2)13-22(23)27(29-26)19-10-20(33-15-17-4-5-17)12-21(11-19)34-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 30n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4A.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207129
PNG
(3-(3,4-dimethoxybenzyl)-8-((6,7-dimethoxyisoquinol...)
Show SMILES COc1ccc(Cn2c3nc(Cc4cncc5cc(OC)c(OC)cc45)[nH]c3c(=O)n(C)c2=O)cc1OC
Show InChI InChI=1S/C27H27N5O6/c1-31-26(33)24-25(32(27(31)34)14-15-6-7-19(35-2)20(8-15)36-3)30-23(29-24)10-17-13-28-12-16-9-21(37-4)22(38-5)11-18(16)17/h6-9,11-13H,10,14H2,1-5H3,(H,29,30)
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n/an/a 33n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207134
PNG
(3-isobutyl-8-(isoquinolin-4-ylmethyl)-1-methyl-1H-...)
Show SMILES CC(C)Cn1c2nc(Cc3cncc4ccccc34)[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C20H21N5O2/c1-12(2)11-25-18-17(19(26)24(3)20(25)27)22-16(23-18)8-14-10-21-9-13-6-4-5-7-15(13)14/h4-7,9-10,12H,8,11H2,1-3H3,(H,22,23)
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n/an/a 34n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
Phosphodiesterase 6


(Bos taurus-Bos taurus (Bovine))
BDBM50117718
PNG
(8-{5-[4-(2-Dimethylamino-ethyl)-piperazine-1-sulfo...)
Show SMILES CCCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(CCN(C)C)CC1
Show InChI InChI=1S/C27H41N7O5S/c1-7-16-39-22-9-8-20(40(37,38)33-14-12-32(13-15-33)11-10-30(4)5)17-21(22)24-28-23-25(29-24)34(18-19(2)3)27(36)31(6)26(23)35/h8-9,17,19H,7,10-16,18H2,1-6H3,(H,28,29)
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n/an/a 37n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL




Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207128
PNG
(CHEMBL393913 | N-(4-((8-((6,7-dimethoxyisoquinolin...)
Show SMILES COc1cc2cncc(Cc3nc4n(Cc5ccc(NC(C)=O)cc5)c(=O)n(C)c(=O)c4[nH]3)c2cc1OC
Show InChI InChI=1S/C27H26N6O5/c1-15(34)29-19-7-5-16(6-8-19)14-33-25-24(26(35)32(2)27(33)36)30-23(31-25)10-18-13-28-12-17-9-21(37-3)22(38-4)11-20(17)18/h5-9,11-13H,10,14H2,1-4H3,(H,29,34)(H,30,31)
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n/an/a 42n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50072195
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethoxy-...)
Show SMILES CCOc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O6/c1-3-32-27-28-23-14-25(33-9-8-30)24(31-2)13-22(23)26(29-27)19-10-20(34-15-17-4-5-17)12-21(11-19)35-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 43n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
Phosphodiesterase 4


(RAT-Rattus norvegicus)
BDBM50072194
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-butyl-6...)
Show SMILES CCCCc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C29H36N2O5/c1-3-4-5-28-30-25-16-27(34-11-10-32)26(33-2)15-24(25)29(31-28)21-12-22(35-17-19-6-7-19)14-23(13-21)36-18-20-8-9-20/h12-16,19-20,32H,3-11,17-18H2,1-2H3
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n/an/a 50n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL




Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50207122
PNG
(3-isobutyl-8-((7-methoxyisoquinolin-4-yl)methyl)-1...)
Show SMILES COc1ccc2c(Cc3nc4n(CC(C)C)c(=O)n(C)c(=O)c4[nH]3)cncc2c1
Show InChI InChI=1S/C21H23N5O3/c1-12(2)11-26-19-18(20(27)25(3)21(26)28)23-17(24-19)8-14-10-22-9-13-7-15(29-4)5-6-16(13)14/h5-7,9-10,12H,8,11H2,1-4H3,(H,23,24)
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n/an/a 51n/an/an/an/an/an/a



Novartis Institutes of Biomedical Research

Curated by ChEMBL


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


Bioorg Med Chem Lett 17: 2376-9 (2007)


Article DOI: 10.1016/j.bmcl.2006.11.019
BindingDB Entry DOI: 10.7270/Q2X63NSC
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117712
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29)
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n/an/a 59n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Phosphodiesterase 4 and 5 (PDE4 and PDE5)


(Homo sapiens (Human))
BDBM50072195
PNG
(2-[4-(3,5-Bis-cyclopropylmethoxy-phenyl)-2-ethoxy-...)
Show SMILES CCOc1nc(-c2cc(OCC3CC3)cc(OCC3CC3)c2)c2cc(OC)c(OCCO)cc2n1
Show InChI InChI=1S/C27H32N2O6/c1-3-32-27-28-23-14-25(33-9-8-30)24(31-2)13-22(23)26(29-27)19-10-20(34-15-17-4-5-17)12-21(11-19)35-16-18-6-7-18/h10-14,17-18,30H,3-9,15-16H2,1-2H3
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n/an/a 60n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Evaluated for its ability to inhibit PDE4D.


Bioorg Med Chem Lett 8: 2891-6 (1999)


BindingDB Entry DOI: 10.7270/Q2PG1QVX
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM50117731
PNG
(3-Isobutyl-1-methyl-8-(2-propoxy-phenyl)-3,7-dihyd...)
Show SMILES CCCOc1ccccc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C19H24N4O3/c1-5-10-26-14-9-7-6-8-13(14)16-20-15-17(21-16)23(11-12(2)3)19(25)22(4)18(15)24/h6-9,12H,5,10-11H2,1-4H3,(H,20,21)
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n/an/a 60n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibitory activity against human platelet Phosphodiesterase 5 (PDE5)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
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