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Compile Data Set for Download or QSAR

Found 164 hits with Last Name = 'puchalski' and Initial = 'c'   
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


(Bos taurus)
BDBM50059063
PNG
(1-{4-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-6-chlor...)
Show SMILES OC(=O)C1CCN(CC1)c1nc(NCc2ccc3OCOc3c2)c2cc(Cl)ccc2n1
Show InChI InChI=1S/C22H21ClN4O4/c23-15-2-3-17-16(10-15)20(24-11-13-1-4-18-19(9-13)31-12-30-18)26-22(25-17)27-7-5-14(6-8-27)21(28)29/h1-4,9-10,14H,5-8,11-12H2,(H,28,29)(H,24,25,26)
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059061
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C#Cc3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C26H23N5O/c1-29-25(32)23-24(31-21-14-8-13-20(21)27-26(29)31)28-22(16-15-18-9-4-2-5-10-18)30(23)17-19-11-6-3-7-12-19/h2-7,9-12,20-21H,8,13-14,17H2,1H3/t20-,21+/m1/s1
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n/an/a 4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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n/an/a 5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073692
PNG
(5-methyl-2-(4-methylpentyl)-(6aR,9aS)-3,4,5,8-tetr...)
Show SMILES CC(C)CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-10(2)6-4-9-13-19-14-15(20-13)22-12-8-5-7-11(12)18-17(22)21(3)16(14)23/h10-12H,4-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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n/an/a 8n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073692
PNG
(5-methyl-2-(4-methylpentyl)-(6aR,9aS)-3,4,5,8-tetr...)
Show SMILES CC(C)CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-10(2)6-4-9-13-19-14-15(20-13)22-12-8-5-7-11(12)18-17(22)21(3)16(14)23/h10-12H,4-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 10n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073701
PNG
(2'-hexyl-5'-methylspiro[cyclopentane-1,7'-(4',5',7...)
Show SMILES CCCCCCc1nc2N3CC4(CCCC4)N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-9-13-19-14-15(20-13)23-12-18(10-7-8-11-18)21-17(23)22(2)16(14)24/h3-12H2,1-2H3,(H,19,20)
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O/c1-28-23(31)20-22(30-17-25(27-24(28)30)14-8-9-15-25)26-21(19-12-6-3-7-13-19)29(20)16-18-10-4-2-5-11-18/h2-7,10-13H,8-9,14-17H2,1H3
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073701
PNG
(2'-hexyl-5'-methylspiro[cyclopentane-1,7'-(4',5',7...)
Show SMILES CCCCCCc1nc2N3CC4(CCCC4)N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-9-13-19-14-15(20-13)23-12-18(10-7-8-11-18)21-17(23)22(2)16(14)24/h3-12H2,1-2H3,(H,19,20)
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073702
PNG
(2-heptyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:18|
Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-12-15-21-16-17(22-15)24-14-11-9-10-13(14)20-19(24)23(2)18(16)25/h13-14H,3-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of c-GMP specific phosphodiesterase PDE5 of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073695
PNG
((R)-7-Isopropyl-5-methyl-2-(3-methyl-butyl)-7,8-di...)
Show SMILES CC(C)CCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:11|
Show InChI InChI=1S/C16H25N5O/c1-9(2)6-7-12-18-13-14(19-12)21-8-11(10(3)4)17-16(21)20(5)15(13)22/h9-11H,6-8H2,1-5H3,(H,18,19)/t11-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059059
PNG
((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C18H25N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h11-13H,2-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059029
PNG
((6aR,9aS)-5-ethyl-5,6a,7,8,9,9a-hexahydro-2-(pheny...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:3|
Show InChI InChI=1S/C19H21N5O/c1-2-23-18(25)16-17(24-14-10-6-9-13(14)20-19(23)24)22-15(21-16)11-12-7-4-3-5-8-12/h3-5,7-8,13-14H,2,6,9-11H2,1H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-23-17(25)15-16(21-14(20-15)11-13-7-3-2-4-8-13)24-12-19(22-18(23)24)9-5-6-10-19/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,21)
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n/an/a 19n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073695
PNG
((R)-7-Isopropyl-5-methyl-2-(3-methyl-butyl)-7,8-di...)
Show SMILES CC(C)CCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:11|
Show InChI InChI=1S/C16H25N5O/c1-9(2)6-7-12-18-13-14(19-12)21-8-11(10(3)4)17-16(21)20(5)15(13)22/h9-11H,6-8H2,1-5H3,(H,18,19)/t11-/m0/s1
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n/an/a 22n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C |c:12|
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O |c:23,t:2|
Show InChI InChI=1S/C18H27N5O/c1-22-16(24)14-15(20-13(19-14)10-12-6-2-3-7-12)23-11-18(21-17(22)23)8-4-5-9-18/h12-13,15,20H,2-11H2,1H3
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073698
PNG
(5-methyl-2-octyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-7-11-14-20-15-16(21-14)23-13-10-8-9-12(13)19-18(23)22(2)17(15)24/h12-13H,3-11H2,1-2H3,(H,20,21)/t12-,13+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073696
PNG
(5-methyl-2-pentyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-9-12-18-13-14(19-12)21-11-8-6-7-10(11)17-16(21)20(2)15(13)22/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073702
PNG
(2-heptyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:18|
Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-12-15-21-16-17(22-15)24-14-11-9-10-13(14)20-19(24)23(2)18(16)25/h13-14H,3-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059024
PNG
((6aR,9aS)-2-(Cyclopentylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCC3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C17H23N5O/c1-21-16(23)14-15(20-13(19-14)9-10-5-2-3-6-10)22-12-8-4-7-11(12)18-17(21)22/h10-12H,2-9H2,1H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:16|
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073696
PNG
(5-methyl-2-pentyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-9-12-18-13-14(19-12)21-11-8-6-7-10(11)17-16(21)20(2)15(13)22/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059016
PNG
(5'-Methyl-2'-(biphenylmethyl)spiro[cyclopentane-1,...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O/c1-29-23(31)21-22(30-16-25(28-24(29)30)13-5-6-14-25)27-20(26-21)15-17-9-11-19(12-10-17)18-7-3-2-4-8-18/h2-4,7-12H,5-6,13-16H2,1H3,(H,26,27)
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n/an/a 43n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073697
PNG
(5-methyl-2-(1-propylbutyl)-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCCC(CCC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-4-7-11(8-5-2)15-20-14-16(21-15)23-13-10-6-9-12(13)19-18(23)22(3)17(14)24/h11-13H,4-10H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059050
PNG
((6aR,9aS)-2-(Biphenylmethyl)-5,6a,7,8,9,9a-hexahyd...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C24H23N5O/c1-28-23(30)21-22(29-19-9-5-8-18(19)25-24(28)29)27-20(26-21)14-15-10-12-17(13-11-15)16-6-3-2-4-7-16/h2-4,6-7,10-13,18-19H,5,8-9,14H2,1H3,(H,26,27)/t18-,19+/m1/s1
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n/an/a 66n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059037
PNG
((6aR,9aS)-2-(Phenylmethyl)-5,6a,7,8,9,9a-hexahydro...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)[nH]c2C1=O |t:2|
Show InChI InChI=1S/C18H19N5O/c1-22-17(24)15-16(23-13-9-5-8-12(13)19-18(22)23)21-14(20-15)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 80n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059017
PNG
((6aR,9aS)-5-Ethyl-5,6a,7,8,9,9a-hexahydro-2-methyl...)
Show SMILES CCN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O |t:3|
Show InChI InChI=1S/C13H17N5O/c1-3-17-12(19)10-11(15-7(2)14-10)18-9-6-4-5-8(9)16-13(17)18/h8-9H,3-6H2,1-2H3,(H,14,15)/t8-,9+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073704
PNG
(2-butyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C15H21N5O/c1-3-4-8-11-17-12-13(18-11)20-10-7-5-6-9(10)16-15(20)19(2)14(12)21/h9-10H,3-8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059038
PNG
((6aR,9aS)-3-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(CC3CCCCC3)c2C1=O |t:2|
Show InChI InChI=1S/C25H31N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h2,4-5,9-10,18-20H,3,6-8,11-16H2,1H3/t19-,20+/m1/s1
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Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059064
PNG
(5'-Methyl-2',3'-bis(phenylmethyl)spiro[cyclopentan...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C26H27N5O/c1-29-24(32)22-23(31-18-26(28-25(29)31)14-8-9-15-26)27-21(16-19-10-4-2-5-11-19)30(22)17-20-12-6-3-7-13-20/h2-7,10-13H,8-9,14-18H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059049
PNG
(5'-Methyl-2'-(cyclopentylmethyl)-3'-(phenylmethyl)...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(CC3CCCC3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C25H31N5O/c1-28-23(31)21-22(30-17-25(27-24(28)30)13-7-8-14-25)26-20(15-18-9-5-6-10-18)29(21)16-19-11-3-2-4-12-19/h2-4,11-12,18H,5-10,13-17H2,1H3
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n/an/a 120n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073704
PNG
(2-butyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:14|
Show InChI InChI=1S/C15H21N5O/c1-3-4-8-11-17-12-13(18-11)20-10-7-5-6-9(10)16-15(20)19(2)14(12)21/h9-10H,3-8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
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n/an/a 140n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073693
PNG
(2-(1-ethylpropyl)-5-methyl-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCC(CC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:15|
Show InChI InChI=1S/C16H23N5O/c1-4-9(5-2)13-18-12-14(19-13)21-11-8-6-7-10(11)17-16(21)20(3)15(12)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50073697
PNG
(5-methyl-2-(1-propylbutyl)-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCCC(CCC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-4-7-11(8-5-2)15-20-14-16(21-15)23-13-10-6-9-12(13)19-18(23)22(3)17(14)24/h11-13H,4-10H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific Phosphodiesterase 5 (PDE5) of bovine lung


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(BOVINE)
BDBM50073698
PNG
(5-methyl-2-octyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1 |c:17|
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-7-11-14-20-15-16(21-14)23-13-10-8-9-12(13)19-18(23)22(2)17(15)24/h12-13H,3-11H2,1-2H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)


BindingDB Entry DOI: 10.7270/Q22F7MMW
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059019
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-5-methyl-2,3-bis...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O/c1-28-24(31)22-23(30-20-14-8-13-19(20)26-25(28)30)27-21(15-17-9-4-2-5-10-17)29(22)16-18-11-6-3-7-12-18/h2-7,9-12,19-20H,8,13-16H2,1H3/t19-,20+/m1/s1
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n/an/a 180n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059026
PNG
(5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C32H31N5O/c1-35-30(38)28-29(37-22-32(34-31(35)37)18-8-9-19-32)33-27(36(28)21-24-10-4-2-5-11-24)20-23-14-16-26(17-15-23)25-12-6-3-7-13-25/h2-7,10-17H,8-9,18-22H2,1H3
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n/an/a 200n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059048
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3cccc(O)c3O)c2C1=O |t:2|
Show InChI InChI=1S/C25H25N5O3/c1-28-24(33)21-23(30-18-11-6-10-17(18)26-25(28)30)27-20(13-15-7-3-2-4-8-15)29(21)14-16-9-5-12-19(31)22(16)32/h2-5,7-9,12,17-18,31-32H,6,10-11,13-14H2,1H3/t17-,18+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059066
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-3-(...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C19H21N5O/c1-12-20-17-16(23(12)11-13-7-4-3-5-8-13)18(25)22(2)19-21-14-9-6-10-15(14)24(17)19/h3-5,7-8,14-15H,6,9-11H2,1-2H3/t14-,15+/m1/s1
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n/an/a 225n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059057
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2-methyl-5-1-(me...)
Show SMILES CC(C)N1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O |t:4|
Show InChI InChI=1S/C14H19N5O/c1-7(2)18-13(20)11-12(16-8(3)15-11)19-10-6-4-5-9(10)17-14(18)19/h7,9-10H,4-6H2,1-3H3,(H,15,16)/t9-,10+/m1/s1
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n/an/a 240n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Bos taurus)
BDBM50059043
PNG
((6aR,9aS)-2-(Cyclopentylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCC3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C24H29N5O/c1-27-23(30)21-22(29-19-13-7-12-18(19)25-24(27)29)26-20(14-16-8-5-6-9-16)28(21)15-17-10-3-2-4-11-17/h2-4,10-11,16,18-19H,5-9,12-15H2,1H3/t18-,19+/m1/s1
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n/an/a 275n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Evaluated for inhibitory activity against Phosphodiesterase 5 (PDE5) purified from bovine lung


J Med Chem 40: 2196-210 (1997)


Article DOI: 10.1021/jm9608467
BindingDB Entry DOI: 10.7270/Q2G44PFZ
More data for this
Ligand-Target Pair
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