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15 molecules are shown

Wt: 387.4
BDBM15302
Wt: 311.3
BDBM15303
Wt: 455.4
BDBM15305
Wt: 405.4
BDBM15306
Wt: 466.3
BDBM15307
Wt: 432.4
BDBM15309
Wt: 417.5
BDBM15312
Wt: 432.4
BDBM15313
Wt: 401.5
BDBM15314
Wt: 401.5
BDBM15316
Wt: 415.5
BDBM15317
Wt: 405.4
BDBM15318
Wt: 405.4
BDBM15319
Wt: 421.9
BDBM15320
Wt: 513.3
BDBM15337

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 31 hits for monomerid = 15302,15303,15305,15306,15307,15309,15312,15313,15314,15316,15317,15318,15319,15320,15337   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
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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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))
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...


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))
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))
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)


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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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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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))
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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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))
BDBM15317
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-e...)
Show SMILES CCc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)CC1C
Show InChI InChI=1S/C26H29N3O2/c1-3-19-16-20(12-13-21(19)26-17(2)14-25(31)28-29-26)27-23-10-7-11-24(30)22(23)15-18-8-5-4-6-9-18/h4-6,8-9,12-13,16-17,27H,3,7,10-11,14-15H2,1-2H3,(H,28,31)
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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))
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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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))
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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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))
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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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 (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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n/an/a 1.30n/an/an/an/an/an/a



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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 (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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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 (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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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 (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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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 (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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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 (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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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 (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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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 (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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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 (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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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 (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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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 (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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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 (PDE3A)


(Homo sapiens (human))
BDBM15317
PNG
(6-{4-[(2-benzyl-3-oxocyclohex-1-en-1-yl)amino]-2-e...)
Show SMILES CCc1cc(NC2=C(Cc3ccccc3)C(=O)CCC2)ccc1C1=NNC(=O)CC1C
Show InChI InChI=1S/C26H29N3O2/c1-3-19-16-20(12-13-21(19)26-17(2)14-25(31)28-29-26)27-23-10-7-11-24(30)22(23)15-18-8-5-4-6-9-18/h4-6,8-9,12-13,16-17,27H,3,7,10-11,14-15H2,1-2H3,(H,28,31)
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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 (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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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 (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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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 (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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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))
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
PDB
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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)