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Compile Data Set for Download or QSAR

Found 90 hits for UniProtKB: Q01061   
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
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50289464
PNG
(3'-benzyl-2'-(4-cyclohexylphenyl)-5'-methylspiro[c...)
Show SMILES CN1C2=NC3(CCCC3)CN2c2nc(-c3ccc(cc3)C3CCCCC3)n(Cc3ccccc3)c2C1=O |t:2|
Show InChI InChI=1S/C31H35N5O/c1-34-29(37)26-28(36-21-31(33-30(34)36)18-8-9-19-31)32-27(35(26)20-22-10-4-2-5-11-22)25-16-14-24(15-17-25)23-12-6-3-7-13-23/h2,4-5,10-11,14-17,23H,3,6-9,12-13,18-21H2,1H3
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n/an/a 110n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta phosphodiesterase 1


Bioorg Med Chem Lett 7: 1381-1386 (1997)


Article DOI: 10.1016/S0960-894X(97)00238-2
BindingDB Entry DOI: 10.7270/Q2RX9C32
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50241303
PNG
(CHEMBL245317 | ethyl hydrogen (1-(3-(1-methyl-7-ox...)
Show SMILES CCCOc1ccc(cc1-c1nc2c(CCC)nn(C)c2c(=O)[nH]1)S(=O)(=O)N1CCC(CP(O)(=O)OCC)CC1
Show InChI InChI=1S/C26H38N5O7PS/c1-5-8-21-23-24(30(4)29-21)26(32)28-25(27-23)20-16-19(9-10-22(20)37-15-6-2)40(35,36)31-13-11-18(12-14-31)17-39(33,34)38-7-3/h9-10,16,18H,5-8,11-15,17H2,1-4H3,(H,33,34)(H,27,28,32)
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n/an/a 156n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 from bovine heart


Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
BindingDB Entry DOI: 10.7270/Q290237J
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50111900
PNG
(4-[4-Ethoxy-3-(5-methyl-4-oxo-7-propyl-3,4-dihydro...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CC[NH+](CC)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-8-20-24-16(4)21-23(30)25-22(26-29(20)21)18-15-17(9-10-19(18)33-7-3)34(31,32)28-13-11-27(6-2)12-14-28/h9-10,15H,5-8,11-14H2,1-4H3,(H,25,26,30)/p+1
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n/an/a 180n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50146545
PNG
(2-[6-(3,4-Dimethoxy-benzylamino)-7-ethyl-7H-purin-...)
Show SMILES CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)c3n(CC)cnc3n2)nc1OC
Show InChI InChI=1S/C23H27N7O5S/c1-6-30-12-25-19-16(30)18(24-11-13-8-9-14(32-3)15(10-13)33-4)26-22(27-19)29-23-28-20(34-5)17(36-23)21(31)35-7-2/h8-10,12H,6-7,11H2,1-5H3,(H2,24,26,27,28,29)
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n/an/a 220n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50111902
PNG
(2-(2-ethoxy-5-(4-methylpiperazin-1-ylsulfonyl)phen...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-19-23-15(3)20-22(29)24-21(25-28(19)20)17-14-16(8-9-18(17)32-6-2)33(30,31)27-12-10-26(4)11-13-27/h8-9,14H,5-7,10-13H2,1-4H3,(H,24,25,29)
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n/an/a 300n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50111897
PNG
(2-(2-Ethoxy-phenyl)-3,5-dimethyl-7-propyl-3H-imida...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-14-18-11(3)15-17(22)19-16(20-21(14)15)12-9-6-7-10-13(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
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n/an/a 300n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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 400n/an/an/an/an/an/a



BAYER AG

Curated by ChEMBL


Assay Description
Inhibition of Phosphodiesterase 1


Bioorg Med Chem Lett 12: 865-8 (2002)


BindingDB Entry DOI: 10.7270/Q21V5D80
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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 561n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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 739n/an/an/an/an/an/a



Ewha Womans University

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 from bovine heart


Bioorg Med Chem Lett 14: 2099-103 (2004)


Article DOI: 10.1016/j.bmcl.2004.02.040
BindingDB Entry DOI: 10.7270/Q290237J
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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 1.10E+3n/an/an/an/an/an/a



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE1 (Phosphodiesterase 1)


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50421642
PNG
(CHEMBL516604)
Show SMILES COc1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1
Show InChI InChI=1S/C11H16N4O3/c1-6(2)5-15-8-7(12-10(13-8)18-4)9(16)14(3)11(15)17/h6H,5H2,1-4H3,(H,12,13)
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n/an/a 1.80E+3n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117701
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-6-34-18-8-7-16(35(32,33)28-11-9-26(4)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15(2)3)23(31)27(5)22(19)30/h7-8,13,15H,6,9-12,14H2,1-5H3,(H,24,25)
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n/an/a 3.38E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117712
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(Cc3ccc(OC)cc3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C27H32N6O6S/c1-5-39-22-11-10-20(40(36,37)32-14-12-30(2)13-15-32)16-21(22)24-28-23-25(29-24)33(27(35)31(3)26(23)34)17-18-6-8-19(38-4)9-7-18/h6-11,16H,5,12-15,17H2,1-4H3,(H,28,29)
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n/an/a 4.52E+3n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475621
PNG
(CHEMBL371434)
Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C)c1ccccc1 |t:10|
Show InChI InChI=1S/C28H44N6/c1-28(2)26(34(3)23-13-5-4-6-14-23)24-15-7-8-16-25(24)33-27(28)32-22-12-21-31-19-10-9-18-30-20-11-17-29/h4-8,13-16,26,30-31H,9-12,17-22,29H2,1-3H3,(H,32,33)
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n/an/a 8.00E+3n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM14777
PNG
((2R,8R)-2-(2H-1,3-benzodioxol-5-yl)-6-methyl-3,6,1...)
Show SMILES [H][C@]12Cc3c([nH]c4ccccc34)[C@H](N1C(=O)CN(C)C2=O)c1ccc2OCOc2c1 |r|
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 PDE1 (Phosphodiesterase 1)


J Med Chem 46: 4533-42 (2003)


Article DOI: 10.1021/jm0300577
BindingDB Entry DOI: 10.7270/Q2N015X2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM14361
PNG
((R,S)-Rolipram | 4-(3-cyclopentyloxy-4-methoxy-phe...)
Show SMILES COc1ccc(cc1OC1CCCC1)C1CNC(=O)C1
Show InChI InChI=1S/C16H21NO3/c1-19-14-7-6-11(12-9-16(18)17-10-12)8-15(14)20-13-4-2-3-5-13/h6-8,12-13H,2-5,9-10H2,1H3,(H,17,18)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
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>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM14769
PNG
(6-(3,4-Dimethoxy-phenyl)-4,5-dimethyl-4,5-dihydro-...)
Show SMILES COc1cc(ccc1OC(F)F)-c1ccc(=O)[nH]n1
Show InChI InChI=1S/C12H10F2N2O3/c1-18-10-6-7(2-4-9(10)19-12(13)14)8-3-5-11(17)16-15-8/h2-6,12H,1H3,(H,16,17)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibitory concentration against phosphodiesterase 1 from bovine, calmodulin


Bioorg Med Chem Lett 14: 2955-8 (2004)


Article DOI: 10.1016/j.bmcl.2004.03.021
BindingDB Entry DOI: 10.7270/Q2M044W1
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117704
PNG
(3-Cyclopropylmethyl-8-[2-ethoxy-5-(4-methyl-pipera...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC3CC3)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O5S/c1-4-34-18-8-7-16(35(32,33)28-11-9-26(2)10-12-28)13-17(18)20-24-19-21(25-20)29(14-15-5-6-15)23(31)27(3)22(19)30/h7-8,13,15H,4-6,9-12,14H2,1-3H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475612
PNG
(CHEMBL201169)
Show SMILES [H][C@]12c3ccccc3N=C(NCCCNCCCCNCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9|
Show InChI InChI=1S/C30H46N6/c1-22-21-30(2)28(24-12-8-14-26(32-3)27(22)24)23-11-4-5-13-25(23)36-29(30)35-20-10-19-34-17-7-6-16-33-18-9-15-31/h4-5,8,11-14,22,28,32-34H,6-7,9-10,15-21,31H2,1-3H3,(H,35,36)/t22-,28-,30+/m1/s1
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n/an/a 1.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117707
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)CC)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H34N6O5S/c1-6-16(3)15-30-22-20(23(31)28(5)24(30)32)25-21(26-22)18-14-17(8-9-19(18)35-7-2)36(33,34)29-12-10-27(4)11-13-29/h8-9,14,16H,6-7,10-13,15H2,1-5H3,(H,25,26)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117703
PNG
(3-But-3-enyl-8-[2-ethoxy-5-(4-methyl-piperazine-1-...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CCC=C)c(=O)n(C)c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H30N6O5S/c1-5-7-10-29-21-19(22(30)27(4)23(29)31)24-20(25-21)17-15-16(8-9-18(17)34-6-2)35(32,33)28-13-11-26(3)12-14-28/h5,8-9,15H,1,6-7,10-14H2,2-4H3,(H,24,25)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50117710
PNG
(8-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2n(CC(C)C)c(=O)[nH]c(=O)c2[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O5S/c1-5-33-17-7-6-15(34(31,32)27-10-8-26(4)9-11-27)12-16(17)19-23-18-20(24-19)28(13-14(2)3)22(30)25-21(18)29/h6-7,12,14H,5,8-11,13H2,1-4H3,(H,23,24)(H,25,29,30)
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n/an/a>1.00E+4n/an/an/an/an/an/a



Novartis Horsham Research Centre

Curated by ChEMBL


Assay Description
Inhibition of bovine heart Phosphodiesterase 1 (PDE1)


Bioorg Med Chem Lett 12: 2587-90 (2002)


BindingDB Entry DOI: 10.7270/Q2KW5FC2
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475614
PNG
(CHEMBL201249)
Show SMILES [H][C@@]12N(C)c3ccccc3C(C)C[C@]1(C)C(NCCCNCCCCNCCCN)=Nc1ccccc21 |c:31|
Show InChI InChI=1S/C30H46N6/c1-23-22-30(2)28(36(3)27-15-7-5-12-24(23)27)25-13-4-6-14-26(25)35-29(30)34-21-11-20-33-18-9-8-17-32-19-10-16-31/h4-7,12-15,23,28,32-33H,8-11,16-22,31H2,1-3H3,(H,34,35)/t23?,28-,30-/m0/s1
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n/an/a 1.90E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475620
PNG
(CHEMBL372819)
Show SMILES [H][C@]12c3ccccc3N=C(NCCCNCCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9|
Show InChI InChI=1S/C27H39N5/c1-19-18-27(2)25(21-11-8-13-23(29-3)24(19)21)20-10-4-5-12-22(20)32-26(27)31-17-9-16-30-15-7-6-14-28/h4-5,8,10-13,19,25,29-30H,6-7,9,14-18,28H2,1-3H3,(H,31,32)/t19-,25-,27+/m1/s1
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n/an/a 2.20E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475624
PNG
(CHEMBL202832)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCNCCCN)C1(C)C |t:17|
Show InChI InChI=1S/C28H44N6/c1-28(2)26(22-12-14-23(30-3)15-13-22)24-10-4-5-11-25(24)34-27(28)33-21-9-20-32-18-7-6-17-31-19-8-16-29/h4-5,10-15,26,30-32H,6-9,16-21,29H2,1-3H3,(H,33,34)
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n/an/a 2.30E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229881
PNG
(CHEMBL114797)
Show SMILES CNc1nc(Br)cn2ccnc12
Show InChI InChI=1S/C7H7BrN4/c1-9-6-7-10-2-3-12(7)4-5(8)11-6/h2-4H,1H3,(H,9,11)
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n/an/a 2.70E+4n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475615
PNG
(CHEMBL425927)
Show SMILES CN(C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C)c1ccccc1 |t:10|
Show InChI InChI=1S/C25H37N5/c1-25(2)23(30(3)20-12-5-4-6-13-20)21-14-7-8-15-22(21)29-24(25)28-19-11-18-27-17-10-9-16-26/h4-8,12-15,23,27H,9-11,16-19,26H2,1-3H3,(H,28,29)
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n/an/a 3.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50141581
PNG
(4-(3-Chloro-4-methoxy-benzylamino)-7-trifluorometh...)
Show SMILES CCOC(=O)c1cnc2cc(ccc2c1NCc1ccc(OC)c(Cl)c1)C(F)(F)F
Show InChI InChI=1S/C21H18ClF3N2O3/c1-3-30-20(28)15-11-26-17-9-13(21(23,24)25)5-6-14(17)19(15)27-10-12-4-7-18(29-2)16(22)8-12/h4-9,11H,3,10H2,1-2H3,(H,26,27)
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n/an/a>5.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Pharmaceutical Research Institute

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 of bovine heart


Bioorg Med Chem Lett 14: 1577-80 (2004)


Article DOI: 10.1016/j.bmcl.2003.12.090
BindingDB Entry DOI: 10.7270/Q2G1607Q
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475617
PNG
(CHEMBL433988)
Show SMILES CN(C1c2ccccc2N=C(NCCCCN)C1(C)C)c1ccccc1 |t:10|
Show InChI InChI=1S/C22H30N4/c1-22(2)20(26(3)17-11-5-4-6-12-17)18-13-7-8-14-19(18)25-21(22)24-16-10-9-15-23/h4-8,11-14,20H,9-10,15-16,23H2,1-3H3,(H,24,25)
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n/an/a 5.10E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475616
PNG
(CHEMBL199878)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCNCCCCN)C1(C)C |t:17|
Show InChI InChI=1S/C25H37N5/c1-25(2)23(19-11-13-20(27-3)14-12-19)21-9-4-5-10-22(21)30-24(25)29-18-8-17-28-16-7-6-15-26/h4-5,9-14,23,27-28H,6-8,15-18,26H2,1-3H3,(H,29,30)
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n/an/a 6.40E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM86164
PNG
(N1-DnsSpm | N1-dansyl-spermidine)
Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCNCCCCNCCCN
Show InChI InChI=1S/C22H37N5O2S/c1-27(2)21-11-5-10-20-19(21)9-6-12-22(20)30(28,29)26-18-8-17-25-15-4-3-14-24-16-7-13-23/h5-6,9-12,24-26H,3-4,7-8,13-18,23H2,1-2H3
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n/an/a 6.50E+4n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229878
PNG
(CHEMBL112904)
Show SMILES CNc1nc(Br)cn2cc(nc12)C#N
Show InChI InChI=1S/C8H6BrN5/c1-11-7-8-12-5(2-10)3-14(8)4-6(9)13-7/h3-4H,1H3,(H,11,13)
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n/an/a 7.00E+4n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475623
PNG
(CHEMBL382499)
Show SMILES [H][C@]12c3ccccc3N=C(NCCCCN)[C@@]1(C)C[C@@H](C)c1c(NC)cccc21 |t:9|
Show InChI InChI=1S/C24H32N4/c1-16-15-24(2)22(18-10-8-12-20(26-3)21(16)18)17-9-4-5-11-19(17)28-23(24)27-14-7-6-13-25/h4-5,8-12,16,22,26H,6-7,13-15,25H2,1-3H3,(H,27,28)/t16-,22-,24+/m1/s1
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n/an/a 7.00E+4n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229880
PNG
(CHEMBL116115)
Show SMILES CCNc1nc(Br)cn2ccnc12
Show InChI InChI=1S/C8H9BrN4/c1-2-10-7-8-11-3-4-13(8)5-6(9)12-7/h3-5H,2H2,1H3,(H,10,12)
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n/an/a 8.10E+4n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(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 9.20E+4n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166821
PNG
(3-[2-Ethoxy-5-(4-isopropyl-piperazine-1-sulfonyl)-...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(CC1)C(C)C
Show InChI InChI=1S/C25H30N6O4S/c1-5-35-20-10-9-18(36(33,34)30-13-11-29(12-14-30)16(2)3)15-19(20)23-27-24-22(25(32)28-23)26-21-8-6-7-17(4)31(21)24/h6-10,15-16H,5,11-14H2,1-4H3,(H,27,28,32)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166822
PNG
(6-Bromo-3-[2-ethoxy-5-(4-methyl-piperazine-1-sulfo...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccc(Br)c(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H25BrN6O4S/c1-4-34-18-7-5-15(35(32,33)29-11-9-28(3)10-12-29)13-16(18)21-26-22-20(23(31)27-21)25-19-8-6-17(24)14(2)30(19)22/h5-8,13H,4,9-12H2,1-3H3,(H,26,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166818
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3ccc(C)cn23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-7-6-16(34(31,32)28-11-9-27(3)10-12-28)13-17(18)21-25-22-20(23(30)26-21)24-19-8-5-15(2)14-29(19)22/h5-8,13-14H,4,9-12H2,1-3H3,(H,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166820
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H26N6O4S/c1-4-33-18-9-8-16(34(31,32)28-12-10-27(3)11-13-28)14-17(18)21-25-22-20(23(30)26-21)24-19-7-5-6-15(2)29(19)22/h5-9,14H,4,10-13H2,1-3H3,(H,25,26,30)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166824
PNG
(3-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(CC)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H28N6O4S/c1-4-16-7-6-8-20-25-21-23(30(16)20)26-22(27-24(21)31)18-15-17(9-10-19(18)34-5-2)35(32,33)29-13-11-28(3)12-14-29/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50166817
PNG
(3-[2-Ethoxy-5-(4-ethyl-piperazine-1-sulfonyl)-phen...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc3cccc(C)n23)c(=O)[nH]1)S(=O)(=O)N1CCN(CC)CC1
Show InChI InChI=1S/C24H28N6O4S/c1-4-28-11-13-29(14-12-28)35(32,33)17-9-10-19(34-5-2)18(15-17)22-26-23-21(24(31)27-22)25-20-8-6-7-16(3)30(20)23/h6-10,15H,4-5,11-14H2,1-3H3,(H,26,27,31)
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n/an/a>1.00E+5n/an/an/an/an/an/a



Chinese Academy of Sciences

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1 isolated from bovine heart


Bioorg Med Chem Lett 15: 2790-4 (2005)


Article DOI: 10.1016/j.bmcl.2005.03.102
BindingDB Entry DOI: 10.7270/Q2JW8FNG
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475613
PNG
(CHEMBL102072)
Show SMILES [H][C@@]12N(C)c3ccccc3C(C)C[C@]1(C)C(NCCCCN)=Nc1ccccc21 |c:23|
Show InChI InChI=1S/C24H32N4/c1-17-16-24(2)22(28(3)21-13-7-5-10-18(17)21)19-11-4-6-12-20(19)27-23(24)26-15-9-8-14-25/h4-7,10-13,17,22H,8-9,14-16,25H2,1-3H3,(H,26,27)/t17?,22-,24-/m0/s1
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n/an/a 1.16E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50216731
PNG
(CHEMBL158848)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C17H29N5O3/c18-9-3-12-19-10-1-2-11-20-13-4-14-21-17(23)15-5-7-16(8-6-15)22(24)25/h5-8,19-20H,1-4,9-14,18H2,(H,21,23)
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n/an/a 1.49E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229882
PNG
(CHEMBL111902)
Show SMILES Nc1nc(Br)cn2ccnc12
Show InChI InChI=1S/C6H5BrN4/c7-4-3-11-2-1-9-6(11)5(8)10-4/h1-3H,(H2,8,10)
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n/an/a 2.67E+5n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50216732
PNG
(CHEMBL423054)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNCc1ccccc1
Show InChI InChI=1S/C17H32N4/c18-10-6-13-19-11-4-5-12-20-14-7-15-21-16-17-8-2-1-3-9-17/h1-3,8-9,19-21H,4-7,10-16,18H2
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n/an/a 3.13E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL


Assay Description
Inhibition of calmodulin dependent phosphodiesterase


Bioorg Med Chem Lett 8: 635-40 (1998)


BindingDB Entry DOI: 10.7270/Q2NV9MFT
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229879
PNG
(CHEMBL430685)
Show SMILES CNc1nccn2c(Br)cnc12
Show InChI InChI=1S/C7H7BrN4/c1-9-6-7-11-4-5(8)12(7)3-2-10-6/h2-4H,1H3,(H,9,10)
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n/an/a 3.37E+5n/an/an/an/an/an/a



URA CNRS 1111

Curated by ChEMBL


Assay Description
Inhibition of Shh signaling in mouse Shh-light2 cells by Gli-dependent firefly luciferase reporter gene assay


J Med Chem 35: 3353-8 (1992)


BindingDB Entry DOI: 10.7270/Q21Z46N3
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475618
PNG
(CHEMBL199956)
Show SMILES CNc1ccc(cc1)C1c2ccccc2N=C(NCCCCN)C1(C)C |t:17|
Show InChI InChI=1S/C22H30N4/c1-22(2)20(16-10-12-17(24-3)13-11-16)18-8-4-5-9-19(18)26-21(22)25-15-7-6-14-23/h4-5,8-13,20,24H,6-7,14-15,23H2,1-3H3,(H,25,26)
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n/an/a 3.73E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A/1B


(Bos taurus-BOVINE)
BDBM50475608
PNG
(CHEMBL383190)
Show SMILES NCCCCNC1=Nc2ccccc2CC1 |t:6|
Show InChI InChI=1S/C13H19N3/c14-9-3-4-10-15-13-8-7-11-5-1-2-6-12(11)16-13/h1-2,5-6H,3-4,7-10,14H2,(H,15,16)
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n/an/a>5.00E+5n/an/an/an/an/an/a



Universit£ Rennes 1

Curated by ChEMBL


Assay Description
Inhibition of bovine calmodulin-activated cAMP dependent phosphodiesterase


J Med Chem 49: 232-45 (2006)


Article DOI: 10.1021/jm050018q
BindingDB Entry DOI: 10.7270/Q21Z4757
More data for this
Ligand-Target Pair
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