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Compile Data Set for Download or QSAR

Found 81 hits Enz. Inhib. hit(s) with Target = 'Heart phosphodiesterase' AND taxid = 9913   
Target
(Institution)
LigandTarget
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
Heart phosphodiesterase


(Bos taurus)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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PubMed
7.70E+4n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine heart phosphodiesterase


J Med Chem 25: 420-6 (1982)

More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50049055
PNG
((R)-6-(4-Benzylamino-quinazolin-7-yl)-5-methyl-4,5...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc2c(NCc3ccccc3)ncnc2c1
Show InChI InChI=1S/C20H19N5O/c1-13-9-18(26)24-25-19(13)15-7-8-16-17(10-15)22-12-23-20(16)21-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)(H,21,22,23)/t13-/m1/s1
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n/an/a 5n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50049053
PNG
(6-(4-Benzylamino-quinazolin-7-yl)-5-methyl-4,5-dih...)
Show SMILES CC1CC(=O)NN=C1c1ccc2c(NCc3ccccc3)ncnc2c1
Show InChI InChI=1S/C20H19N5O/c1-13-9-18(26)24-25-19(13)15-7-8-16-17(10-15)22-12-23-20(16)21-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)(H,21,22,23)
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n/an/a 50n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50369127
PNG
(CHEMBL395336)
Show SMILES Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2CO[P@](O)(=O)O[C@H]2[C@H]1O
Show InChI InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM15296
PNG
(6-methyl-2-oxo-5-(pyridin-4-yl)-1,2-dihydropyridin...)
Show SMILES Cc1[nH]c(=O)c(cc1-c1ccncc1)C#N
Show InChI InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50049054
PNG
((S)-6-(4-Benzylamino-quinazolin-7-yl)-5-methyl-4,5...)
Show SMILES C[C@H]1CC(=O)NN=C1c1ccc2c(NCc3ccccc3)ncnc2c1
Show InChI InChI=1S/C20H19N5O/c1-13-9-18(26)24-25-19(13)15-7-8-16-17(10-15)22-12-23-20(16)21-11-14-5-3-2-4-6-14/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)(H,21,22,23)/t13-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



Kyowa Hakka Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibition of bovine arterial Phosphodiesterase 3


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50134107
PNG
((3aR,10R)-2-Cyclohexyl-10-(4-methoxy-phenyl)-3a,4,...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(C3CCCCC3)c(=O)n12
Show InChI InChI=1S/C26H27N3O3/c1-32-18-13-11-16(12-14-18)24-23-20(19-9-5-6-10-21(19)27-23)15-22-25(30)28(26(31)29(22)24)17-7-3-2-4-8-17/h5-6,9-14,17,24,27,30H,2-4,7-8,15H2,1H3/t24-/m1/s1
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n/an/a 9.20E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (Phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM14390
PNG
(5-[2-ethoxy-5-(4-methyl-1-piperazinylsulfonyl)phen...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
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n/an/a 9.20E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
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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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50134100
PNG
((3aR,10R)-2-Benzyl-10-(4-methoxy-phenyl)-3a,4,9,10...)
Show SMILES COc1ccc(cc1)[C@@H]1c2[nH]c3ccccc3c2Cc2c(O)n(Cc3ccccc3)c(=O)n12
Show InChI InChI=1S/C27H23N3O3/c1-33-19-13-11-18(12-14-19)25-24-21(20-9-5-6-10-22(20)28-24)15-23-26(31)29(27(32)30(23)25)16-17-7-3-2-4-8-17/h2-14,25,28,31H,15-16H2,1H3/t25-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES CN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc3OCOc3c2)C1=O
Show InChI InChI=1S/C22H19N3O4/c1-24-10-19(26)25-16(22(24)27)9-14-13-4-2-3-5-15(13)23-20(14)21(25)12-6-7-17-18(8-12)29-11-28-17/h2-8,16,21,23H,9-11H2,1H3/t16-,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (Phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50134099
PNG
((3aR,10S)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m0/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50134093
PNG
((3aR,10R)-2-Butyl-10-(4-methoxy-phenyl)-3a,4,9,10-...)
Show SMILES CCCCn1c(O)c2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(OC)cc3)n2c1=O
Show InChI InChI=1S/C24H25N3O3/c1-3-4-13-26-23(28)20-14-18-17-7-5-6-8-19(17)25-21(18)22(27(20)24(26)29)15-9-11-16(30-2)12-10-15/h5-12,22,25,28H,3-4,13-14H2,1-2H3/t22-/m1/s1
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Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE3 (phosphodiesterase 3)


Citation and Details
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


Citation and Details
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


Citation and Details
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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Schering-Plough Research Institute

Curated by ChEMBL


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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061904
PNG
(CHEMBL343781 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(Cc3ccccc3)nn2C)C1=O
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-14(11-12-7-4-3-5-8-12)21-23(2)17(16)24-15-10-6-9-13(15)20-19(22)24/h3-5,7-8,13,15H,6,9-11H2,1-2H3/t13-,15+/m1/s1
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n/an/a 2.90E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061903
PNG
(3-Benzyl-2,5,7,7-tetramethyl-7,8-dihydro-2H,5H-1,2...)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(C)c(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C18H21N5O/c1-18(2)11-23-15-14(16(24)21(3)17(23)19-18)13(22(4)20-15)10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3
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n/an/a 4.20E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061897
PNG
((6aR,9aS)-3,5-Dimethyl-5,6a,7,8,9,9a-hexahydro-1-(...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(c(C)nn2Cc2ccccc2)C1=O
Show InChI InChI=1S/C19H21N5O/c1-12-16-17(23(21-12)11-13-7-4-3-5-8-13)24-15-10-6-9-14(15)20-19(24)22(2)18(16)25/h3-5,7-8,14-15H,6,9-11H2,1-2H3/t14-,15+/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
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
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


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061900
PNG
((6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-5-methyl-3-pheny...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(Cc3ccccc3)c(c2C1=O)-c1ccccc1
Show InChI InChI=1S/C24H23N5O/c1-27-23(30)20-21(17-11-6-3-7-12-17)28(15-16-9-4-2-5-10-16)26-22(20)29-19-14-8-13-18(19)25-24(27)29/h2-7,9-12,18-19H,8,13-15H2,1H3/t18-,19+/m1/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061899
PNG
(2',5'-Dimethyl-3'-(phenylmethyl)spiro[cyclopentane...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nn(C)c(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C20H23N5O/c1-23-18(26)16-15(12-14-8-4-3-5-9-14)24(2)22-17(16)25-13-20(21-19(23)25)10-6-7-11-20/h3-5,8-9H,6-7,10-13H2,1-2H3
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n/an/a 5.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061896
PNG
(CHEMBL343971 | Rac-(6aR*,9aS*)-5,6a,7,8,9,9a-Hexah...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2c(cnn2Cc2ccccc2)C1=O
Show InChI InChI=1S/C18H19N5O/c1-21-17(24)13-10-19-22(11-12-6-3-2-4-7-12)16(13)23-15-9-5-8-14(15)20-18(21)23/h2-4,6-7,10,14-15H,5,8-9,11H2,1H3/t14-,15+/m1/s1
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n/an/a 5.50E+4n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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


Citation and Details
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
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061901
PNG
((+)(6aR,9aS)-5,6a,7,8,9,9a-Hexahydro-2,5-dimethyl-...)
Show SMILES CN1C2=N[C@@H]3CCC[C@@H]3N2c2nn(C)c(Cc3ccccc3)c2C1=O
Show InChI InChI=1S/C19H21N5O/c1-22-18(25)16-15(11-12-7-4-3-5-8-12)23(2)21-17(16)24-14-10-6-9-13(14)20-19(22)24/h3-5,7-8,13-14H,6,9-11H2,1-2H3/t13-,14+/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
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
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


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM50061902
PNG
((R)-3-Benzyl-7-isopropyl-2,5-dimethyl-7,8-dihydro-...)
Show SMILES CC(C)[C@@H]1CN2C(=N1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1
Show InChI InChI=1S/C19H23N5O/c1-12(2)14-11-24-17-16(18(25)22(3)19(24)20-14)15(23(4)21-17)10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3/t14-/m0/s1
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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
Inhibition of Phosphodiesterase 3 from bovine heart


Citation and Details
More data for this
Ligand-Target Pair
Heart phosphodiesterase


(Bos taurus)
BDBM10847
PNG
(1,3-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dion...)
Show SMILES Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C7H8N4O2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13/h3H,1-2H3,(H,8,9)
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n/an/a 9.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine heart phosphodiesterase


J Med Chem 25: 420-6 (1982)

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


Citation and Details
More data for this
Ligand-Target Pair
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