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PubMed code 9216839

Compile data set for download or QSAR
Found 113 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 5A


(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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O
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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n/an/a 26n/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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059016
PNG
(5'-Methyl-2'-(biphenylmethyl)spiro[cyclopentane-1,...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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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n/an/a 110n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059064
PNG
(5'-Methyl-2',3'-bis(phenylmethyl)spiro[cyclopentan...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)n(Cc3ccccc3)c2C1=O
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059049
PNG
(5'-Methyl-2'-(cyclopentylmethyl)-3'-(phenylmethyl)...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(CC3CCCC3)n(Cc3ccccc3)c2C1=O
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059026
PNG
(5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(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
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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059044
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)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1
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n/an/a 305n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059042
PNG
(CHEMBL70837 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahy...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O/c1-25-16(28)14-15(27-13-9-5-8-12(13)23-18(25)27)24-17(19(20,21)22)26(14)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1
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n/an/a 400n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059034
PNG
((6aR,9aS)-2-(Cyclopropylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C22H25N5O/c1-25-21(28)19-20(27-17-9-5-8-16(17)23-22(25)27)24-18(12-14-10-11-14)26(19)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13H2,1H3/t16-,17+/m1/s1
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n/an/a 420n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/a 500n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059058
PNG
((6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methy...)
Show SMILES CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-8-17-23-19-18(25(17)13-14-9-5-4-6-10-14)20(27)24(2)21-22-15-11-7-12-16(15)26(19)21/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3/t15-,16+/m1/s1
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n/an/a 510n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059051
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)c2n1Cc1ccccc1
Show InChI InChI=1S/C23H29N5O/c1-15(2)12-13-19-25-21-20(27(19)14-16-8-5-4-6-9-16)22(29)26(3)23-24-17-10-7-11-18(17)28(21)23/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t17-,18+/m1/s1
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n/an/a 560n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059030
PNG
((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O
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/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/m1/s1
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n/an/a 590n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059036
PNG
((6aR,9aS)-2-(Cyclopropylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CC3)[nH]c2C1=O
Show InChI InChI=1S/C15H19N5O/c1-19-14(21)12-13(18-11(17-12)7-8-5-6-8)20-10-4-2-3-9(10)16-15(19)20/h8-10H,2-7H2,1H3,(H,17,18)/t9-,10+/m1/s1
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n/an/a 610n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059041
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)c2n1Cc1ccccc1
Show InChI InChI=1S/C24H31N5O/c1-3-4-5-9-15-20-26-22-21(28(20)16-17-11-7-6-8-12-17)23(30)27(2)24-25-18-13-10-14-19(18)29(22)24/h6-8,11-12,18-19H,3-5,9-10,13-16H2,1-2H3/t18-,19+/m1/s1
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n/an/a 800n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059047
PNG
((6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methy...)
Show SMILES CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C14H19N5O/c1-3-5-10-16-11-12(17-10)19-9-7-4-6-8(9)15-14(19)18(2)13(11)20/h8-9H,3-7H2,1-2H3,(H,16,17)/t8-,9+/m1/s1
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n/an/a 800n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059045
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(methoxymethyl...)
Show SMILES COCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-23-19(26)17-18(25-15-10-6-9-14(15)21-20(23)25)22-16(12-27-2)24(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m1/s1
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n/an/a 1.00E+3n/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
Heart 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
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 1.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059040
PNG
((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C23H28N6O/c1-26-22(30)20-21(29-18-11-7-10-17(18)24-23(26)29)25-19(15-27-12-5-6-13-27)28(20)14-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3/t17-,18+/m1/s1
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n/an/a 1.20E+3n/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
Phosphodiesterase 2A


(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
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 1.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059055
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(1H-imidazol-2...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ncc[nH]3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C22H23N7O/c1-27-21(30)19-20(29-16-9-5-8-15(16)25-22(27)29)26-18(12-17-23-10-11-24-17)28(19)13-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-16H,5,8-9,12-13H2,1H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 1.50E+3n/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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059026
PNG
(5'-Methyl-2'-(biphenylmethyl)-3'-(phenylmethyl)spi...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)n(Cc3ccccc3)c2C1=O
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 1.80E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059044
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)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1
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n/an/a 2.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059028
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-cyc...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O
Show InChI InChI=1S/C12H15N5O/c1-6-13-9-10(14-6)17-8-5-3-4-7(8)15-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m1/s1
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n/an/a 2.40E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059065
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-1-(...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2c(nc(C)n2Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H23N5O/c1-14-21-16-17(24(14)12-15-8-4-3-5-9-15)25-13-20(10-6-7-11-20)22-19(25)23(2)18(16)26/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 2.90E+3n/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
Phosphodiesterase 2A


(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
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 3.10E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059046
PNG
(5'-Methyl-2'-phenylspiro[cyclopentane-1,7'(8'H)-[3...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc([nH]c2C1=O)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-22-16(24)13-15(20-14(19-13)12-7-3-2-4-8-12)23-11-18(21-17(22)23)9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20)
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n/an/a 3.30E+3n/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
Heart phosphodiesterase


(Bos taurus)
BDBM50059044
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)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C31H29N5O/c1-34-30(37)28-29(36-26-14-8-13-25(26)32-31(34)36)33-27(35(28)20-22-9-4-2-5-10-22)19-21-15-17-24(18-16-21)23-11-6-3-7-12-23/h2-7,9-12,15-18,25-26H,8,13-14,19-20H2,1H3/t25-,26+/m1/s1
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n/an/a 3.50E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059018
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-3(1H-imidazol-2-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ncc[nH]3)c2C1=O
Show InChI InChI=1S/C22H23N7O/c1-27-21(30)19-20(29-16-9-5-8-15(16)25-22(27)29)26-18(12-14-6-3-2-4-7-14)28(19)13-17-23-10-11-24-17/h2-4,6-7,10-11,15-16H,5,8-9,12-13H2,1H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 4.00E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059053
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-(3-py...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3cccnc3)c2C1=O
Show InChI InChI=1S/C24H24N6O/c1-28-23(31)21-22(30-19-11-5-10-18(19)26-24(28)30)27-20(13-16-7-3-2-4-8-16)29(21)15-17-9-6-12-25-14-17/h2-4,6-9,12,14,18-19H,5,10-11,13,15H2,1H3/t18-,19+/m1/s1
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n/an/a 4.30E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059056
PNG
(3,5-Dimethyl-2'-(phenylmethyl)spiro[cyclopentane-1...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)n(C)c2C1=O
Show InChI InChI=1S/C20H23N5O/c1-23-15(12-14-8-4-3-5-9-14)21-17-16(23)18(26)24(2)19-22-20(13-25(17)19)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 4.50E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059020
PNG
((6aR,9aS)-2-[(N,N-Dimethylamino)methyl]-5,6a,7,8,9...)
Show SMILES CN(C)Cc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C21H26N6O/c1-24(2)13-17-23-19-18(26(17)12-14-8-5-4-6-9-14)20(28)25(3)21-22-15-10-7-11-16(15)27(19)21/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+/m1/s1
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n/an/a 5.60E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059031
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc([nH]c2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17N5O/c1-23-18(25)16-17(24-14-9-5-8-13(14)20-19(23)24)22-15(21-16)11-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-9H2,1H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 6.00E+3n/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
Heart 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
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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n/an/a 6.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059039
PNG
(CHEMBL303671 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc([nH]c2C1=O)C(F)(F)F
Show InChI InChI=1S/C12H12F3N5O/c1-19-9(21)7-8(18-10(17-7)12(13,14)15)20-6-4-2-3-5(6)16-11(19)20/h5-6H,2-4H2,1H3,(H,17,18)/t5-,6+/m1/s1
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n/an/a 6.20E+3n/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
Heart 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
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 7.00E+3n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059027
PNG
((6aR,9aS)-2-[(N,N-Dimethylamino)methyl]-5,6a,7,8,9...)
Show SMILES CN(C)Cc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C14H20N6O/c1-18(2)7-10-16-11-12(17-10)20-9-6-4-5-8(9)15-14(20)19(3)13(11)21/h8-9H,4-7H2,1-3H3,(H,16,17)/t8-,9+/m1/s1
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n/an/a 7.50E+3n/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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059025
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(CCO)c2C1=O
Show InChI InChI=1S/C20H23N5O2/c1-23-19(27)17-18(25-15-9-5-8-14(15)21-20(23)25)22-16(24(17)10-11-26)12-13-6-3-2-4-7-13/h2-4,6-7,14-15,26H,5,8-12H2,1H3/t14-,15+/m1/s1
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n/an/a 1.00E+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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059035
PNG
(3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...)
Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
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n/an/a 1.00E+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
Phosphodiesterase 2A


(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 1.09E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059064
PNG
(5'-Methyl-2',3'-bis(phenylmethyl)spiro[cyclopentan...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)n(Cc3ccccc3)c2C1=O
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 1.10E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O
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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n/an/a 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Heart 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
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 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 2A


(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
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 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Heart 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
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 1.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059021
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(methoxymethyl...)
Show SMILES COCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c1-17-12(19)10-11(16-9(15-10)6-20-2)18-8-5-3-4-7(8)14-13(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
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n/an/a 1.30E+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
Heart 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
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 1.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059022
PNG
((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)[nH]c2C1=O
Show InChI InChI=1S/C16H22N6O/c1-20-15(23)13-14(19-12(18-13)9-21-7-2-3-8-21)22-11-6-4-5-10(11)17-16(20)22/h10-11H,2-9H2,1H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 1.60E+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
Heart 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
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 1.70E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059023
PNG
(5'-Methyl-2'-(phenylmethyl)spiro[cyclopentane-1,7'...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)[nH]c2C1=O
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 2.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059051
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)c2n1Cc1ccccc1
Show InChI InChI=1S/C23H29N5O/c1-15(2)12-13-19-25-21-20(27(19)14-16-8-5-4-6-9-16)22(29)26(3)23-24-17-10-7-11-18(17)28(21)23/h4-6,8-9,15,17-18H,7,10-14H2,1-3H3/t17-,18+/m1/s1
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n/an/a 2.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059060
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(1H-imidazol-2...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ncc[nH]3)[nH]c2C1=O
Show InChI InChI=1S/C15H17N7O/c1-21-14(23)12-13(20-11(19-12)7-10-16-5-6-17-10)22-9-4-2-3-8(9)18-15(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,19,20)/t8-,9+/m1/s1
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n/an/a 2.60E+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
Heart phosphodiesterase


(Bos taurus)
BDBM50059016
PNG
(5'-Methyl-2'-(biphenylmethyl)spiro[cyclopentane-1,...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccc(cc3)-c3ccccc3)[nH]c2C1=O
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 2.60E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 3.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 3.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059028
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-cyc...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O
Show InChI InChI=1S/C12H15N5O/c1-6-13-9-10(14-6)17-8-5-3-4-7(8)15-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m1/s1
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n/an/a 3.40E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059041
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)c2n1Cc1ccccc1
Show InChI InChI=1S/C24H31N5O/c1-3-4-5-9-15-20-26-22-21(28(20)16-17-11-7-6-8-12-17)23(30)27(2)24-25-18-13-10-14-19(18)29(22)24/h6-8,11-12,18-19H,3-5,9-10,13-16H2,1-2H3/t18-,19+/m1/s1
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n/an/a 3.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 2A


(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
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 3.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Phosphodiesterase 2A


(Bos taurus)
BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O
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 3.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of recombinant bovine adrenal cortex Phosphodiesterase 2 (PDE2)


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059049
PNG
(5'-Methyl-2'-(cyclopentylmethyl)-3'-(phenylmethyl)...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(CC3CCCC3)n(Cc3ccccc3)c2C1=O
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 3.60E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059030
PNG
((6aR,9aS)-2-(Cyclohexylmethyl)-5,6a,7,8,9,9a-hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CCCCC3)n(Cc3ccccc3)c2C1=O
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/h3,6-7,11-12,17,19-20H,2,4-5,8-10,13-16H2,1H3/t19-,20+/m1/s1
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n/an/a 4.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059036
PNG
((6aR,9aS)-2-(Cyclopropylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CC3)[nH]c2C1=O
Show InChI InChI=1S/C15H19N5O/c1-19-14(21)12-13(18-11(17-12)7-8-5-6-8)20-10-4-2-3-9(10)16-15(19)20/h8-10H,2-7H2,1H3,(H,17,18)/t9-,10+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059042
PNG
(CHEMBL70837 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexahy...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(n(Cc3ccccc3)c2C1=O)C(F)(F)F
Show InChI InChI=1S/C19H18F3N5O/c1-25-16(28)14-15(27-13-9-5-8-12(13)23-18(25)27)24-17(19(20,21)22)26(14)10-11-6-3-2-4-7-11/h2-4,6-7,12-13H,5,8-10H2,1H3/t12-,13+/m1/s1
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n/an/a 5.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059052
PNG
(5'-Methyl-2'-(cyclopentylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2C2NC(CC3CCCC3)N=C2C1=O
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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n/an/a 5.70E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059058
PNG
((6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methy...)
Show SMILES CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C21H25N5O/c1-3-8-17-23-19-18(25(17)13-14-9-5-4-6-10-14)20(27)24(2)21-22-15-11-7-12-16(15)26(19)21/h4-6,9-10,15-16H,3,7-8,11-13H2,1-2H3/t15-,16+/m1/s1
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n/an/a 7.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 8.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059047
PNG
((6aR,9aS)-2-Propyl-5,6a,7,8,9,9a-hexahydro-5-methy...)
Show SMILES CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C14H19N5O/c1-3-5-10-16-11-12(17-10)19-9-7-4-6-8(9)15-14(19)18(2)13(11)20/h8-9H,3-7H2,1-2H3,(H,16,17)/t8-,9+/m1/s1
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n/an/a 8.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059034
PNG
((6aR,9aS)-2-(Cyclopropylmethyl)-5,6a,7,8,9,9a-hexa...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CC3CC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C22H25N5O/c1-25-21(28)19-20(27-17-9-5-8-16(17)23-22(25)27)24-18(12-14-10-11-14)26(19)13-15-6-3-2-4-7-15/h2-4,6-7,14,16-17H,5,8-13H2,1H3/t16-,17+/m1/s1
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n/an/a 8.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059056
PNG
(3,5-Dimethyl-2'-(phenylmethyl)spiro[cyclopentane-1...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(Cc3ccccc3)n(C)c2C1=O
Show InChI InChI=1S/C20H23N5O/c1-23-15(12-14-8-4-3-5-9-14)21-17-16(23)18(26)24(2)19-22-20(13-25(17)19)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 9.00E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059020
PNG
((6aR,9aS)-2-[(N,N-Dimethylamino)methyl]-5,6a,7,8,9...)
Show SMILES CN(C)Cc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C21H26N6O/c1-24(2)13-17-23-19-18(26(17)12-14-8-5-4-6-9-14)20(28)25(3)21-22-15-10-7-11-16(15)27(19)21/h4-6,8-9,15-16H,7,10-13H2,1-3H3/t15-,16+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059027
PNG
((6aR,9aS)-2-[(N,N-Dimethylamino)methyl]-5,6a,7,8,9...)
Show SMILES CN(C)Cc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C14H20N6O/c1-18(2)7-10-16-11-12(17-10)20-9-6-4-5-8(9)15-14(20)19(3)13(11)21/h8-9H,4-7H2,1-3H3,(H,16,17)/t8-,9+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059065
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-1-(...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2c(nc(C)n2Cc2ccccc2)C1=O
Show InChI InChI=1S/C20H23N5O/c1-14-21-16-17(24(14)12-15-8-4-3-5-9-15)25-13-20(10-6-7-11-20)22-19(25)23(2)18(16)26/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059053
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-(3-py...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3cccnc3)c2C1=O
Show InChI InChI=1S/C24H24N6O/c1-28-23(31)21-22(30-19-11-5-10-18(19)26-24(28)30)27-20(13-16-7-3-2-4-8-16)29(21)15-17-9-6-12-25-14-17/h2-4,6-9,12,14,18-19H,5,10-11,13,15H2,1H3/t18-,19+/m1/s1
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n/an/a>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059046
PNG
(5'-Methyl-2'-phenylspiro[cyclopentane-1,7'(8'H)-[3...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc([nH]c2C1=O)-c1ccccc1
Show InChI InChI=1S/C18H19N5O/c1-22-16(24)13-15(20-14(19-13)12-7-3-2-4-8-12)23-11-18(21-17(22)23)9-5-6-10-18/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,20)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059040
PNG
((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C23H28N6O/c1-26-22(30)20-21(29-18-11-7-10-17(18)24-23(26)29)25-19(15-27-12-5-6-13-27)28(20)14-16-8-3-2-4-9-16/h2-4,8-9,17-18H,5-7,10-15H2,1H3/t17-,18+/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059018
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-3(1H-imidazol-2-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ccccc3)n(Cc3ncc[nH]3)c2C1=O
Show InChI InChI=1S/C22H23N7O/c1-27-21(30)19-20(29-16-9-5-8-15(16)25-22(27)29)26-18(12-14-6-3-2-4-7-14)28(19)13-17-23-10-11-24-17/h2-4,6-7,10-11,15-16H,5,8-9,12-13H2,1H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 1.10E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 1.10E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 1.11E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059025
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(CCO)c2C1=O
Show InChI InChI=1S/C20H23N5O2/c1-23-19(27)17-18(25-15-9-5-8-14(15)21-20(23)25)22-16(24(17)10-11-26)12-13-6-3-2-4-7-13/h2-4,6-7,14-15,26H,5,8-12H2,1H3/t14-,15+/m1/s1
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n/an/a 1.20E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM14363
PNG
(3-(2-propoxyphenyl)-2,4,7,8,9-pentazabicyclo[4.3.0...)
Show SMILES CCCOc1ccccc1-c1nc2nn[nH]c2c(=O)[nH]1
Show InChI InChI=1S/C13H13N5O2/c1-2-7-20-9-6-4-3-5-8(9)11-14-12-10(13(19)15-11)16-18-17-12/h3-6H,2,7H2,1H3,(H2,14,15,16,17,18,19)
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n/an/a 1.22E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 1.30E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059022
PNG
((6aR,9aS)-2-(1-Pyrrolidinylmethyl)-5,6a,7,8,9,9a-h...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(CN3CCCC3)[nH]c2C1=O
Show InChI InChI=1S/C16H22N6O/c1-20-15(23)13-14(19-12(18-13)9-21-7-2-3-8-21)22-11-6-4-5-10(11)17-16(20)22/h10-11H,2-9H2,1H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059045
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(methoxymethyl...)
Show SMILES COCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2n1Cc1ccccc1
Show InChI InChI=1S/C20H23N5O2/c1-23-19(26)17-18(25-15-10-6-9-14(15)21-20(23)25)22-16(12-27-2)24(17)11-13-7-4-3-5-8-13/h3-5,7-8,14-15H,6,9-12H2,1-2H3/t14-,15+/m1/s1
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n/an/a 1.50E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart 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
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 1.75E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059055
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(1H-imidazol-2...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ncc[nH]3)n(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C22H23N7O/c1-27-21(30)19-20(29-16-9-5-8-15(16)25-22(27)29)26-18(12-17-23-10-11-24-17)28(19)13-14-6-3-2-4-7-14/h2-4,6-7,10-11,15-16H,5,8-9,12-13H2,1H3,(H,23,24)/t15-,16+/m1/s1
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n/an/a 1.80E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059035
PNG
(3-Isobutyl-8-methoxymethyl-1-methyl-3,7-dihydro-pu...)
Show SMILES COCc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C12H18N4O3/c1-7(2)5-16-10-9(11(17)15(3)12(16)18)13-8(14-10)6-19-4/h7H,5-6H2,1-4H3,(H,13,14)
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n/an/a 2.40E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059031
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-2-(phen...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc([nH]c2C1=O)C#Cc1ccccc1
Show InChI InChI=1S/C19H17N5O/c1-23-18(25)16-17(24-14-9-5-8-13(14)20-19(23)24)22-15(21-16)11-10-12-6-3-2-4-7-12/h2-4,6-7,13-14H,5,8-9H2,1H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 2.50E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Phosphodiesterase 5A


(Bos taurus)
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
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n/an/a>3.00E+5n/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
Heart phosphodiesterase


(Bos taurus)
BDBM50059060
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(1H-imidazol-2...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(Cc3ncc[nH]3)[nH]c2C1=O
Show InChI InChI=1S/C15H17N7O/c1-21-14(23)12-13(20-11(19-12)7-10-16-5-6-17-10)22-9-4-2-3-8(9)18-15(21)22/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)(H,19,20)/t8-,9+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059028
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-cyc...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc(C)[nH]c2C1=O
Show InChI InChI=1S/C12H15N5O/c1-6-13-9-10(14-6)17-8-5-3-4-7(8)15-12(17)16(2)11(9)18/h7-8H,3-5H2,1-2H3,(H,13,14)/t7-,8+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059054
PNG
(5'-Methyl-2'-phenyl-3'-(phenylmethyl)spiro[cyclope...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccccc3)n(Cc3ccccc3)c2C1=O
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>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059021
PNG
((6aR,9aS)-5,6a,7,8,9,9a-hexahydro-2-(methoxymethyl...)
Show SMILES COCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C13H17N5O2/c1-17-12(19)10-11(16-9(15-10)6-20-2)18-8-5-3-4-7(8)14-13(17)18/h7-8H,3-6H2,1-2H3,(H,15,16)/t7-,8+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
Heart phosphodiesterase


(Bos taurus)
BDBM50059039
PNG
(CHEMBL303671 | rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nc([nH]c2C1=O)C(F)(F)F
Show InChI InChI=1S/C12H12F3N5O/c1-19-9(21)7-8(18-10(17-7)12(13,14)15)20-6-4-2-3-5(6)16-11(19)20/h5-6H,2-4H2,1H3,(H,17,18)/t5-,6+/m1/s1
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n/an/a>3.00E+5n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 3 (PDE3) purified from bovine heart


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
* indicates data uncertainty>20%