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Compile Data Set for Download or QSAR

Found 22 hits of ph data with Target = 'Phosphodiesterase Type 3 (PDE3B)'   
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 Type 3 (PDE3B)


(Homo sapiens (human))
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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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...


Biochemistry 43: 6091-100 (2004)


Article DOI: 10.1021/bi049868i
BindingDB Entry DOI: 10.7270/Q2DR2SQM
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 3 (PDE3B)


(Homo sapiens (human))
BDBM15298
PNG
(N-{4-[(4R)-4-methyl-6-oxo-1,4,5,6-tetrahydropyrida...)
Show SMILES C[C@@H]1CC(=O)NN=C1c1ccc(NC(C)=O)cc1
Show InChI InChI=1S/C13H15N3O2/c1-8-7-12(18)15-16-13(8)10-3-5-11(6-4-10)14-9(2)17/h3-6,8H,7H2,1-2H3,(H,14,17)(H,15,18)/t8-/m1/s1
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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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 5.5n/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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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 2.60n/an/an/an/a7.522



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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair
Phosphodiesterase Type 3 (PDE3B)


(Homo sapiens (human))
BDBM15336
PNG
(1-methyl-3-(2-methylpropyl)-2,3,6,7-tetrahydro-1H-...)
Show SMILES CC(C)Cn1c2nc[nH]c2c(=O)n(C)c1=O
Show InChI InChI=1S/C10H14N4O2/c1-6(2)4-14-8-7(11-5-12-8)9(15)13(3)10(14)16/h5-6H,4H2,1-3H3,(H,11,12)
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n/an/a 242n/an/an/an/a7.522



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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...


Biochemistry 43: 6091-100 (2004)


Article DOI: 10.1021/bi049868i
BindingDB Entry DOI: 10.7270/Q2DR2SQM
More data for this
Ligand-Target Pair
3D
3D Structure (docked)
Phosphodiesterase Type 3 (PDE3B)


(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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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)


Article DOI: 10.1016/j.bmcl.2003.08.056
BindingDB Entry DOI: 10.7270/Q2JD4V11
More data for this
Ligand-Target Pair