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Compile Data Set for Download or QSAR

Found 407 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase Type 3 (PDE3A)'   
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
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15310
PNG
((5R)-5-methyl-6-{4-[(3-oxo-2-{[3-(thiophen-3-yl)ph...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)-c3ccsc3)C(=O)CCC2)cc1
Show InChI InChI=1S/C28H27N3O2S/c1-18-14-27(33)30-31-28(18)20-8-10-23(11-9-20)29-25-6-3-7-26(32)24(25)16-19-4-2-5-21(15-19)22-12-13-34-17-22/h2,4-5,8-13,15,17-18,29H,3,6-7,14,16H2,1H3,(H,30,33)/t18-/m1/s1
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n/an/a 0.110n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15311
PNG
((5R)-5-methyl-6-{4-[(2-{[3-(3-nitrophenyl)phenyl]m...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)-c3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1
Show InChI InChI=1S/C30H28N4O4/c1-19-15-29(36)32-33-30(19)21-11-13-24(14-12-21)31-27-9-4-10-28(35)26(27)17-20-5-2-6-22(16-20)23-7-3-8-25(18-23)34(37)38/h2-3,5-8,11-14,16,18-19,31H,4,9-10,15,17H2,1H3,(H,32,36)/t19-/m1/s1
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n/an/a 0.110n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428590
PNG
(CHEMBL2337969)
Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1
Show InChI InChI=1S/C29H34N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-11,14,18-19H,4-6,12-13,15-17H2,1-3H3,(H,30,36)
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n/an/a 0.270n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM86219
PNG
(CAS_5537 | NSC_5537 | Trequinsin)
Show SMILES COc1cc2CCn3c(cc(=Nc4c(C)cc(C)cc4C)n(C)c3=O)-c2cc1OC
Show InChI InChI=1S/C24H27N3O3/c1-14-9-15(2)23(16(3)10-14)25-22-13-19-18-12-21(30-6)20(29-5)11-17(18)7-8-27(19)24(28)26(22)4/h9-13H,7-8H2,1-6H3
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n/an/a 0.300n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15337
PNG
((5R)-6-(4-{[2-(3-iodobenzyl)-3-oxocyclohex-1-en-1-...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(I)c3)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H24IN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1
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n/an/a 0.330n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15304
PNG
((5R)-6-[4-({2-[(2-methoxyphenyl)methyl]-3-oxocyclo...)
Show SMILES COc1ccccc1CC1=C(CCCC1=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C
Show InChI InChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)17-10-12-19(13-11-17)26-21-7-5-8-22(29)20(21)15-18-6-3-4-9-23(18)31-2/h3-4,6,9-13,16,26H,5,7-8,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15305
PNG
((5R)-5-methyl-6-{4-[(3-oxo-2-{[2-(trifluoromethyl)...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3C(F)(F)F)C(=O)CCC2)cc1
Show InChI InChI=1S/C25H24F3N3O2/c1-15-13-23(33)30-31-24(15)16-9-11-18(12-10-16)29-21-7-4-8-22(32)19(21)14-17-5-2-3-6-20(17)25(26,27)28/h2-3,5-6,9-12,15,29H,4,7-8,13-14H2,1H3,(H,30,33)/t15-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15307
PNG
((5R)-6-[4-({2-[(3-bromophenyl)methyl]-3-oxocyclohe...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(Br)c3)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H24BrN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15319
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-3-f...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)c(F)c1
Show InChI InChI=1S/C24H24FN3O2/c1-15-12-23(30)27-28-24(15)17-10-11-21(19(25)14-17)26-20-8-5-9-22(29)18(20)13-16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15,26H,5,8-9,12-13H2,1H3,(H,27,30)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428577
PNG
(CHEMBL2337953)
Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1C
Show InChI InChI=1S/C30H36N6O4/c1-5-22-18-25-24(12-13-28(39-4)36(25)33-22)30-20(3)17-27(38)35(34-30)14-6-7-15-40-23-10-8-21(9-11-23)29-19(2)16-26(37)31-32-29/h8-13,18-20H,5-7,14-17H2,1-4H3,(H,31,37)
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Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15302
PNG
((5R)-6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H25N3O2/c1-16-14-23(29)26-27-24(16)18-10-12-19(13-11-18)25-21-8-5-9-22(28)20(21)15-17-6-3-2-4-7-17/h2-4,6-7,10-13,16,25H,5,8-9,14-15H2,1H3,(H,26,29)/t16-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15318
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-f...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H24FN3O2/c1-15-12-23(30)27-28-24(15)18-11-10-17(14-20(18)25)26-21-8-5-9-22(29)19(21)13-16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15,26H,5,8-9,12-13H2,1H3,(H,27,30)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15321
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2,5...)
Show SMILES CC1CC(=O)NN=C1c1cc(F)c(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H23F2N3O2/c1-14-10-23(31)28-29-24(14)16-12-19(26)21(13-18(16)25)27-20-8-5-9-22(30)17(20)11-15-6-3-2-4-7-15/h2-4,6-7,12-14,27H,5,8-11H2,1H3,(H,28,31)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428588
PNG
(CHEMBL2337971)
Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)C1(C)C
Show InChI InChI=1S/C30H36N6O4/c1-6-21-18-24-23(13-14-26(39-5)36(24)33-21)28-30(3,4)29(38)35(34-28)15-7-8-16-40-22-11-9-20(10-12-22)27-19(2)17-25(37)31-32-27/h9-14,18-19H,6-8,15-17H2,1-5H3,(H,31,37)
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n/an/a 1.70n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15329
PNG
(3-[4-({2-[(2,6-dichlorophenyl)methyl]-3-oxocyclohe...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3c(Cl)cccc3Cl)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H22Cl2FN3O2/c1-24(2)22(29-30-23(24)32)14-10-9-13(11-19(14)27)28-20-7-4-8-21(31)16(20)12-15-17(25)5-3-6-18(15)26/h3,5-6,9-11,28H,4,7-8,12H2,1-2H3,(H,30,32)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15312
PNG
((5R)-6-[4-({2-[(4-methoxyphenyl)methyl]-3-oxocyclo...)
Show SMILES COc1ccc(CC2=C(CCCC2=O)Nc2ccc(cc2)C2=NNC(=O)C[C@H]2C)cc1
Show InChI InChI=1S/C25H27N3O3/c1-16-14-24(30)27-28-25(16)18-8-10-19(11-9-18)26-22-4-3-5-23(29)21(22)15-17-6-12-20(31-2)13-7-17/h6-13,16,26H,3-5,14-15H2,1-2H3,(H,27,30)/t16-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428589
PNG
(CHEMBL2337970)
Show SMILES CCc1cc2c(ccc(OC)n2n1)-c1ccc(=O)n(CCCCOc2ccc(cc2)C2=NNC(=O)CC2C)n1
Show InChI InChI=1S/C29H32N6O4/c1-4-21-18-25-23(11-14-28(38-3)35(25)32-21)24-12-13-27(37)34(33-24)15-5-6-16-39-22-9-7-20(8-10-22)29-19(2)17-26(36)30-31-29/h7-14,18-19H,4-6,15-17H2,1-3H3,(H,30,36)
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Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15306
PNG
((5R)-6-[4-({2-[(3-fluorophenyl)methyl]-3-oxocycloh...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H24FN3O2/c1-15-12-23(30)27-28-24(15)17-8-10-19(11-9-17)26-21-6-3-7-22(29)20(21)14-16-4-2-5-18(25)13-16/h2,4-5,8-11,13,15,26H,3,6-7,12,14H2,1H3,(H,27,30)/t15-/m1/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15301
PNG
(benzyl N-[4-(4-methyl-6-oxo-1,4,5,6-tetrahydropyri...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC(=O)OCc2ccccc2)cc1
Show InChI InChI=1S/C19H19N3O3/c1-13-11-17(23)21-22-18(13)15-7-9-16(10-8-15)20-19(24)25-12-14-5-3-2-4-6-14/h2-10,13H,11-12H2,1H3,(H,20,24)(H,21,23)
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n/an/a 2.90n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15309
PNG
((5R)-5-methyl-6-[4-({2-[(3-nitrophenyl)methyl]-3-o...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)[N+]([O-])=O)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H24N4O4/c1-15-12-23(30)26-27-24(15)17-8-10-18(11-9-17)25-21-6-3-7-22(29)20(21)14-16-4-2-5-19(13-16)28(31)32/h2,4-5,8-11,13,15,25H,3,6-7,12,14H2,1H3,(H,26,30)/t15-/m1/s1
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n/an/a 3.10n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15316
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-3-m...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)c(C)c1
Show InChI InChI=1S/C25H27N3O2/c1-16-13-19(25-17(2)14-24(30)27-28-25)11-12-21(16)26-22-9-6-10-23(29)20(22)15-18-7-4-3-5-8-18/h3-5,7-8,11-13,17,26H,6,9-10,14-15H2,1-2H3,(H,27,30)
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n/an/a 3.70n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428587
PNG
(CHEMBL2337972)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)n2cc(nc12)C(F)(F)F
Show InChI InChI=1S/C28H27F5N6O4/c1-27(2)24(17-8-10-19(42-3)25-34-20(14-38(17)25)28(31,32)33)37-39(26(27)41)12-4-5-13-43-18-9-6-15(22(29)23(18)30)16-7-11-21(40)36-35-16/h6,8-10,14H,4-5,7,11-13H2,1-3H3,(H,36,40)
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n/an/a 5n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a 5n/an/an/an/a7.524



University of North Carolina



Assay Description
Enzymatic activities were assayed using [3H] cAMP and [3H]cGMP as substrate.


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428591
PNG
(CHEMBL2337968)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)CC2C)c2cc(nn12)C(F)(F)F
Show InChI InChI=1S/C28H27F5N6O4/c1-15-13-23(41)38(37-27(15)17-6-10-24(42-2)39-19(17)14-21(36-39)28(31,32)33)11-3-4-12-43-20-8-5-16(25(29)26(20)30)18-7-9-22(40)35-34-18/h5-6,8,10,14-15H,3-4,7,9,11-13H2,1-2H3,(H,35,40)
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n/an/a 5.10n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428586
PNG
(CHEMBL2337973)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)CC4)c(F)c3F)C(=O)C2(C)C)c2sc(nc12)C(F)(F)F
Show InChI InChI=1S/C28H26F5N5O4S/c1-27(2)24(15-7-10-18(41-3)22-23(15)43-25(34-22)28(31,32)33)37-38(26(27)40)12-4-5-13-42-17-9-6-14(20(29)21(17)30)16-8-11-19(39)36-35-16/h6-7,9-10H,4-5,8,11-13H2,1-3H3,(H,36,39)
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n/an/a 6.90n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15328
PNG
(3-[4-({2-[(2-chlorophenyl)methyl]-3-oxocyclohex-1-...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3Cl)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H23ClFN3O2/c1-24(2)22(28-29-23(24)31)16-11-10-15(13-19(16)26)27-20-8-5-9-21(30)17(20)12-14-6-3-4-7-18(14)25/h3-4,6-7,10-11,13,27H,5,8-9,12H2,1-2H3,(H,29,31)
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n/an/a 7.20n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15335
PNG
(3-[(2-{[4-(4,4-dimethyl-5-oxo-4,5-dihydro-1H-pyraz...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(c3)C#N)C(=O)CCC2)c(F)c1F
Show InChI InChI=1S/C25H22F2N4O2/c1-25(2)23(30-31-24(25)33)16-9-10-19(22(27)21(16)26)29-18-7-4-8-20(32)17(18)12-14-5-3-6-15(11-14)13-28/h3,5-6,9-11,29H,4,7-8,12H2,1-2H3,(H,31,33)
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n/an/a 7.60n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50350802
PNG
(CHEMBL1819121)
Show SMILES COc1cc2ncnc(N3CCCC(C3)c3ccccc3)c2cc1OC
Show InChI InChI=1S/C21H23N3O2/c1-25-19-11-17-18(12-20(19)26-2)22-14-23-21(17)24-10-6-9-16(13-24)15-7-4-3-5-8-15/h3-5,7-8,11-12,14,16H,6,9-10,13H2,1-2H3
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n/an/a 8.5n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE3A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428578
PNG
(CHEMBL2337954)
Show SMILES CCc1cc2c(ccc(OC)n2n1)C1=NN(CCCOc2ccc(cc2)C2=NNC(=O)CC2C)C(=O)CC1C
Show InChI InChI=1S/C29H34N6O4/c1-5-21-17-24-23(11-12-27(38-4)35(24)32-21)29-19(3)16-26(37)34(33-29)13-6-14-39-22-9-7-20(8-10-22)28-18(2)15-25(36)30-31-28/h7-12,17-19H,5-6,13-16H2,1-4H3,(H,30,36)
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n/an/a 11n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50338586
PNG
(CHEMBL1683806 | N'-(1-(3,3-dimethyl-2-oxoindolin-5...)
Show SMILES CC(=NNS(=O)(=O)c1ccc(C)cc1)c1ccc2NC(=O)C(C)(C)c2c1
Show InChI InChI=1S/C19H21N3O3S/c1-12-5-8-15(9-6-12)26(24,25)22-21-13(2)14-7-10-17-16(11-14)19(3,4)18(23)20-17/h5-11,22H,1-4H3,(H,20,23)
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n/an/a 14.8n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428580
PNG
(CHEMBL2337958)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(cc3)C3=NNC(=O)CC3C)C(=O)CC2C)c2cc(nn12)C(F)(F)F
Show InChI InChI=1S/C29H31F3N6O4/c1-17-14-24(39)33-34-27(17)19-6-8-20(9-7-19)42-13-5-4-12-37-25(40)15-18(2)28(36-37)21-10-11-26(41-3)38-22(21)16-23(35-38)29(30,31)32/h6-11,16-18H,4-5,12-15H2,1-3H3,(H,33,39)
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n/an/a 15n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428592
PNG
(CHEMBL2337967)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)CC2C)c2cc(nn12)C(F)(F)F
Show InChI InChI=1S/C29H29F5N6O4/c1-15-13-21(41)39(38-25(15)16-8-10-22(43-4)40-18(16)14-20(37-40)29(32,33)34)11-5-6-12-44-19-9-7-17(23(30)24(19)31)26-28(2,3)27(42)36-35-26/h7-10,14-15H,5-6,11-13H2,1-4H3,(H,36,42)
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n/an/a 15n/an/an/an/an/an/a



Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15299
PNG
(N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyrida...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2C(F)(F)F)cc1
Show InChI InChI=1S/C19H16F3N3O2/c1-11-10-16(26)24-25-17(11)12-6-8-13(9-7-12)23-18(27)14-4-2-3-5-15(14)19(20,21)22/h2-9,11H,10H2,1H3,(H,23,27)(H,24,26)/t11-/m1/s1
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n/an/a 15n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a 16n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15330
PNG
(3-[2-fluoro-4-({2-[(2-fluorophenyl)methyl]-3-oxocy...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3F)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H23F2N3O2/c1-24(2)22(28-29-23(24)31)16-11-10-15(13-19(16)26)27-20-8-5-9-21(30)17(20)12-14-6-3-4-7-18(14)25/h3-4,6-7,10-11,13,27H,5,8-9,12H2,1-2H3,(H,29,31)
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n/an/a 16n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50042053
PNG
(CHEMBL3360172)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C1(CC1)C#N
Show InChI InChI=1/C23H23FN6O2S/c1-2-30-20(31)19-18(28-22(30)27-17-5-8-26-10-16(17)24)15(12-33-19)14-4-3-9-29(11-14)21(32)23(13-25)6-7-23/h5,8,10,12,14H,2-4,6-7,9,11H2,1H3,(H,26,27,28)
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n/an/a 17n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM15297
PNG
(CHEMBL34431 | Cilostamide | N-Cyclohexyl-N-methyl-...)
Show SMILES CN(C1CCCCC1)C(=O)CCCOc1ccc2[nH]c(=O)ccc2c1
Show InChI InChI=1S/C20H26N2O3/c1-22(16-6-3-2-4-7-16)20(24)8-5-13-25-17-10-11-18-15(14-17)9-12-19(23)21-18/h9-12,14,16H,2-8,13H2,1H3,(H,21,23)
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n/an/a 18.1n/an/an/an/an/an/a



Korea Research Institute of Chemical Technology

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE3A


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15325
PNG
(3-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-f...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H24FN3O2/c1-24(2)22(27-28-23(24)30)17-12-11-16(14-19(17)25)26-20-9-6-10-21(29)18(20)13-15-7-4-3-5-8-15/h3-5,7-8,11-12,14,26H,6,9-10,13H2,1-2H3,(H,28,30)
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n/an/a 20n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15314
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-m...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1C
Show InChI InChI=1S/C25H27N3O2/c1-16-13-19(11-12-20(16)25-17(2)14-24(30)27-28-25)26-22-9-6-10-23(29)21(22)15-18-7-4-3-5-8-18/h3-5,7-8,11-13,17,26H,6,9-10,14-15H2,1-2H3,(H,27,30)
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n/an/a 22n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15300
PNG
(dihydropyridazinone 6c | ethyl N-{4-[(4R)-4-methyl...)
Show SMILES CCOC(=O)Nc1ccc(cc1)C1=NNC(=O)C[C@H]1C
Show InChI InChI=1S/C14H17N3O3/c1-3-20-14(19)15-11-6-4-10(5-7-11)13-9(2)8-12(18)16-17-13/h4-7,9H,3,8H2,1-2H3,(H,15,19)(H,16,18)/t9-/m1/s1
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n/an/a 24n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15313
PNG
((5R)-5-methyl-6-[4-({2-[(4-nitrophenyl)methyl]-3-o...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccc(cc3)[N+]([O-])=O)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H24N4O4/c1-15-13-23(30)26-27-24(15)17-7-9-18(10-8-17)25-21-3-2-4-22(29)20(21)14-16-5-11-19(12-6-16)28(31)32/h5-12,15,25H,2-4,13-14H2,1H3,(H,26,30)/t15-/m1/s1
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n/an/a 24n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15315
PNG
(N-{4-[(4S)-4-methyl-6-oxo-1,4,5,6-tetrahydropyrida...)
Show SMILES C[C@H]1CC(=O)NN=C1c1ccc(NC(=O)c2ccccc2)cc1
Show InChI InChI=1S/C18H17N3O2/c1-12-11-16(22)20-21-17(12)13-7-9-15(10-8-13)19-18(23)14-5-3-2-4-6-14/h2-10,12H,11H2,1H3,(H,19,23)(H,20,22)/t12-/m0/s1
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50042036
PNG
(CHEMBL3360170)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)OC
Show InChI InChI=1/C20H22FN5O3S/c1-3-26-18(27)17-16(24-19(26)23-15-6-7-22-9-14(15)21)13(11-30-17)12-5-4-8-25(10-12)20(28)29-2/h6-7,9,11-12H,3-5,8,10H2,1-2H3,(H,22,23,24)
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n/an/a 29n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50042035
PNG
(CHEMBL3360171)
Show SMILES CCn1c(Nc2ccncc2F)nc2c(csc2c1=O)C1CCCN(C1)C(=O)C(C)(C)CO
Show InChI InChI=1/C23H28FN5O3S/c1-4-29-20(31)19-18(27-22(29)26-17-7-8-25-10-16(17)24)15(12-33-19)14-6-5-9-28(11-14)21(32)23(2,3)13-30/h7-8,10,12,14,30H,4-6,9,11,13H2,1-3H3,(H,25,26,27)
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n/an/a 37n/an/an/an/an/an/a



Kyoto 607-8042

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin)


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15323
PNG
(3-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-m...)
Show SMILES Cc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)C1(C)C
Show InChI InChI=1S/C25H27N3O2/c1-16-14-18(12-13-19(16)23-25(2,3)24(30)28-27-23)26-21-10-7-11-22(29)20(21)15-17-8-5-4-6-9-17/h4-6,8-9,12-14,26H,7,10-11,15H2,1-3H3,(H,28,30)
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n/an/a 38n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 3 (PDE3)


(Homo sapiens (human))
BDBM50428585
PNG
(CHEMBL2337974)
Show SMILES COc1ccc(C2=NN(CCCCOc3ccc(C4=NNC(=O)C4(C)C)c(F)c3F)C(=O)C2(C)C)n2cc(nc12)C(F)(F)F
Show InChI InChI=1S/C29H29F5N6O4/c1-27(2)22(36-37-25(27)41)15-8-10-17(21(31)20(15)30)44-13-7-6-12-40-26(42)28(3,4)23(38-40)16-9-11-18(43-5)24-35-19(14-39(16)24)29(32,33)34/h8-11,14H,6-7,12-13H2,1-5H3,(H,37,41)
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Kyorin Pharmaceutical Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE3A (unknown origin) by radiochemical assay


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15331
PNG
(3-[2-fluoro-4-({2-[(3-fluorophenyl)methyl]-3-oxocy...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3cccc(F)c3)C(=O)CCC2)cc1F
Show InChI InChI=1S/C24H23F2N3O2/c1-24(2)22(28-29-23(24)31)17-10-9-16(13-19(17)26)27-20-7-4-8-21(30)18(20)12-14-5-3-6-15(25)11-14/h3,5-6,9-11,13,27H,4,7-8,12H2,1-2H3,(H,29,31)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15303
PNG
((5R)-5-methyl-6-{4-[(2-methyl-3-oxocyclohex-1-en-1...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC2=C(C)C(=O)CCC2)cc1
Show InChI InChI=1S/C18H21N3O2/c1-11-10-17(23)20-21-18(11)13-6-8-14(9-7-13)19-15-4-3-5-16(22)12(15)2/h6-9,11,19H,3-5,10H2,1-2H3,(H,20,23)/t11-/m1/s1
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n/an/a 44n/an/an/an/a7.522



Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15320
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-c...)
Show SMILES CC1CC(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1Cl
Show InChI InChI=1S/C24H24ClN3O2/c1-15-12-23(30)27-28-24(15)18-11-10-17(14-20(18)25)26-21-8-5-9-22(29)19(21)13-16-6-3-2-4-7-16/h2-4,6-7,10-11,14-15,26H,5,8-9,12-13H2,1H3,(H,27,30)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3A)


(Homo sapiens (human))
BDBM15322
PNG
(3-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]phen...)
Show SMILES CC1(C)C(=O)NN=C1c1ccc(NC2=C(Cc3ccccc3)C(=O)CCC2)cc1
Show InChI InChI=1S/C24H25N3O2/c1-24(2)22(26-27-23(24)29)17-11-13-18(14-12-17)25-20-9-6-10-21(28)19(20)15-16-7-4-3-5-8-16/h3-5,7-8,11-14,25H,6,9-10,15H2,1-2H3,(H,27,29)
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Merck Research Laboratories



Assay Description
PDE activity was monitored by measuring the hydrolysis of [3H]-cAMP to [3H]-AMP using scintillation proximity assay (SPA). [3H]-AMP was captured by t...


Bioorg Med Chem Lett 13: 3983-7 (2003)

More data for this
Ligand-Target Pair
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