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Compile Data Set for Download or QSAR

Found 70 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
Phosphodiesterase 1


(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
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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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BAYER AG

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


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



Centre de Recherches

Curated by ChEMBL


Assay Description
Inhibition of bovine aorta PDE1 (Phosphodiesterase 1)


J Med Chem 46: 4533-42 (2003)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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Novartis Horsham Research Centre

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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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Novartis Horsham Research Centre

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229881
PNG
(CHEMBL114797)
Show SMILES CNc1nc(Br)cn2ccnc12
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




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

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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




Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229878
PNG
(CHEMBL112904)
Show SMILES CNc1nc(Br)cn2cc(nc12)C#N
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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


Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229880
PNG
(CHEMBL116115)
Show SMILES CCNc1nc(Br)cn2ccnc12
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(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)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216731
PNG
(CHEMBL158848)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)c1ccc(cc1)[N+]([O-])=O
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n/an/a 1.49E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229882
PNG
(CHEMBL111902)
Show SMILES Nc1nc(Br)cn2ccnc12
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216732
PNG
(CHEMBL423054)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNCc1ccccc1
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n/an/a 3.13E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Bos taurus)
BDBM50229879
PNG
(CHEMBL430685)
Show SMILES CNc1nccn2c(Br)cnc12
PDB

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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


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50216729
PNG
(CHEMBL422519)
Show SMILES OC(=O)C(F)(F)F.NCCCNCCCCNCCCNC(=O)Nc1ccccc1
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n/an/a 5.84E+5n/an/an/an/an/an/a



Universite de Rennes

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50010981
PNG
((Ro 20-1724)4-(3-Butoxy-4-methoxy-benzyl)-imidazol...)
Show SMILES CCCCOc1cc(CC2CNC(=O)N2)ccc1OC
Show InChI InChI=1S/C15H22N2O3/c1-3-4-7-20-14-9-11(5-6-13(14)19-2)8-12-10-16-15(18)17-12/h5-6,9,12H,3-4,7-8,10H2,1-2H3,(H2,16,17,18)
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n/an/a 9.40E+5n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017112
PNG
(1-Acetyl-4-(3,4-dimethoxy-phenyl)-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CN(C(C)=O)C(=O)C1
Show InChI InChI=1S/C14H17NO4/c1-9(16)15-8-11(7-14(15)17)10-4-5-12(18-2)13(6-10)19-3/h4-6,11H,7-8H2,1-3H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017096
PNG
(4-(3-Benzyloxy-4-methoxy-phenyl)-pyrrolidin-2-one ...)
Show SMILES COc1ccc(cc1OCc1ccccc1)C1CNC(=O)C1
Show InChI InChI=1S/C18H19NO3/c1-21-16-8-7-14(15-10-18(20)19-11-15)9-17(16)22-12-13-5-3-2-4-6-13/h2-9,15H,10-12H2,1H3,(H,19,20)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017121
PNG
(4-(4-Butoxy-phenyl)-pyrrolidin-2-one | CHEMBL32597)
Show SMILES CCCCOc1ccc(cc1)C1CNC(=O)C1
Show InChI InChI=1S/C14H19NO2/c1-2-3-8-17-13-6-4-11(5-7-13)12-9-14(16)15-10-12/h4-7,12H,2-3,8-10H2,1H3,(H,15,16)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017110
PNG
(4-(4-Butoxy-3-methoxy-phenyl)-pyrrolidin-2-one | C...)
Show SMILES CCCCOc1ccc(cc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C15H21NO3/c1-3-4-7-19-13-6-5-11(8-14(13)18-2)12-9-15(17)16-10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017093
PNG
(4-(3,4-Dimethoxy-phenyl)-3-methyl-pyrrolidin-2-one...)
Show SMILES COc1ccc(cc1OC)C1CNC(=O)C1C
Show InChI InChI=1S/C13H17NO3/c1-8-10(7-14-13(8)15)9-4-5-11(16-2)12(6-9)17-3/h4-6,8,10H,7H2,1-3H3,(H,14,15)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017102
PNG
(4-(3-Butoxy-4-methoxy-phenyl)-pyrrolidin-2-one | C...)
Show SMILES CCCCOc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C15H21NO3/c1-3-4-7-19-14-8-11(5-6-13(14)18-2)12-9-15(17)16-10-12/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,16,17)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017097
PNG
(1-Benzoyl-4-(3,4-dimethoxy-phenyl)-pyrrolidin-2-on...)
Show SMILES COc1ccc(cc1OC)C1CN(C(=O)c2ccccc2)C(=O)C1
Show InChI InChI=1S/C19H19NO4/c1-23-16-9-8-14(10-17(16)24-2)15-11-18(21)20(12-15)19(22)13-6-4-3-5-7-13/h3-10,15H,11-12H2,1-2H3
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017117
PNG
(4-[2-Methoxy-5-(5-oxo-pyrrolidin-3-yl)-phenoxy]-bu...)
Show SMILES CCOC(=O)CCCOc1cc(ccc1OC)C1CNC(=O)C1
Show InChI InChI=1S/C17H23NO5/c1-3-22-17(20)5-4-8-23-15-9-12(6-7-14(15)21-2)13-10-16(19)18-11-13/h6-7,9,13H,3-5,8,10-11H2,1-2H3,(H,18,19)
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017116
PNG
(5,6-Dimethoxy-3,3a,8,8a-tetrahydro-1H-1-aza-cyclop...)
Show SMILES COc1cc2CC3NC(=O)C[C@@H]3c2cc1OC
Show InChI InChI=1S/C13H15NO3/c1-16-11-4-7-3-10-9(6-13(15)14-10)8(7)5-12(11)17-2/h4-5,9-10H,3,6H2,1-2H3,(H,14,15)/t9-,10?/m1/s1
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n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Bos taurus-BOVINE)
BDBM50017100
PNG
(4-(3-Butoxy-phenyl)-pyrrolidin-2-one | CHEMBL32226)
Show SMILES CCCCOc1cccc(c1)C1CNC(=O)C1
Show InChI InChI=1S/C14H19NO2/c1-2-3-7-17-13-6-4-5-11(8-13)12-9-14(16)15-10-12/h4-6,8,12H,2-3,7,9-10H2,1H3,(H,15,16)
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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
PubMed
n/an/a>1.00E+6n/an/an/an/an/an/a



Centre de Neurochimie du CNRS

Curated by ChEMBL




Citation and Details
More data for this
Ligand-Target Pair
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