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Compile Data Set for Download or QSAR

Found 245 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 1' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50059033
PNG
((11aS,11bS)-11a-Ethyl-2,3,4,5,11a,11b-hexahydro-1H...)
Show SMILES CCOC(=O)C1=C[C@]2(CC)CCCN3CCc4c([C@H]23)n1c1ccccc41
Show InChI InChI=1S/C22H26N2O2/c1-3-22-11-7-12-23-13-10-16-15-8-5-6-9-17(15)24(19(16)20(22)23)18(14-22)21(25)26-4-2/h5-6,8-9,14,20H,3-4,7,10-13H2,1-2H3/t20-,22+/m1/s1
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1.40E+4n/an/an/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 1


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169634
PNG
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nn(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H34N6O5S/c1-3-36-20-9-8-18(37(34,35)31-12-10-30(11-13-31)14-15-32)16-19(20)24-26-22-21(17-6-4-5-7-17)28-29(2)23(22)25(33)27-24/h8-9,16-17,32H,3-7,10-15H2,1-2H3,(H,26,27,33)
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n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50024352
PNG
(CHEMBL183857)
Show SMILES CCCn1cnc2c(O)nc(nc12)-c1ccccc1OCC
Show InChI InChI=1S/C16H18N4O2/c1-3-9-20-10-17-13-15(20)18-14(19-16(13)21)11-7-5-6-8-12(11)22-4-2/h5-8,10H,3-4,9H2,1-2H3,(H,18,19,21)
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n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169633
PNG
(7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...)
Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C24H32N6O4S/c1-4-34-20-10-9-18(35(32,33)29-13-11-28(3)12-14-29)15-19(20)22-26-24(31)21-16(2)25-23(30(21)27-22)17-7-5-6-8-17/h9-10,15,17H,4-8,11-14H2,1-3H3,(H,26,27,31)
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n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169627
PNG
(7-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-25(33)22-17(2)26-24(31(22)28-23)18-6-4-5-7-18/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33)
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n/an/a 10n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169641
PNG
(2-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)
Show SMILES CCCc1nc(C)c2n1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H32N6O5S/c1-4-6-20-24-16(3)21-23(31)25-22(26-29(20)21)18-15-17(7-8-19(18)34-5-2)35(32,33)28-11-9-27(10-12-28)13-14-30/h7-8,15,30H,4-6,9-14H2,1-3H3,(H,25,26,31)
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n/an/a 20n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169643
PNG
(8-Cyclopentyl-2-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C25H34N6O5S/c1-3-36-21-9-8-19(37(34,35)30-12-10-29(11-13-30)14-15-32)16-20(21)23-27-24-22(18-6-4-5-7-18)26-17(2)31(24)25(33)28-23/h8-9,16,18,32H,3-7,10-15H2,1-2H3,(H,27,28,33)
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n/an/a 30n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169648
PNG
(3-Cyclopentyl-5-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nc2c(noc2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C24H31N5O6S/c1-2-34-19-8-7-17(36(32,33)29-11-9-28(10-12-29)13-14-30)15-18(19)23-25-21-20(16-5-3-4-6-16)27-35-22(21)24(31)26-23/h7-8,15-16,30H,2-6,9-14H2,1H3,(H,25,26,31)
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n/an/a 30n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169635
PNG
(7-Cyclopentyl-2-(2-ethoxy-phenyl)-5-methyl-3H-imid...)
Show SMILES CCOc1ccccc1-c1nn2c(nc(C)c2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-19(24)16-12(2)20-18(23(16)22-17)13-8-4-5-9-13/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 30n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169651
PNG
(8-Cyclopentyl-2-(2-ethoxy-phenyl)-6-methyl-3H-imid...)
Show SMILES CCOc1ccccc1-c1nc2c(nc(C)n2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C19H22N4O2/c1-3-25-15-11-7-6-10-14(15)17-21-18-16(13-8-4-5-9-13)20-12(2)23(18)19(24)22-17/h6-7,10-11,13H,3-5,8-9H2,1-2H3,(H,21,22,24)
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n/an/a 40n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170491
PNG
(6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCCCCCCCC(=O)NO
Show InChI InChI=1S/C25H33N3O6/c1-3-18-14-20(17(2)29)22(30)15-23(18)34-16-19-10-9-11-21(27-19)25(32)26-13-8-6-4-5-7-12-24(31)28-33/h9-11,14-15,30,33H,3-8,12-13,16H2,1-2H3,(H,26,32)(H,28,31)
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n/an/a 43n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169636
PNG
(3-Cyclopentyl-6-(2-ethoxy-phenyl)-7H-[1,2,4]triazo...)
Show SMILES CCOc1ccccc1-c1nn2c(nnc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C17H19N5O2/c1-2-24-13-10-6-5-9-12(13)14-18-17(23)16-20-19-15(22(16)21-14)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,21,23)
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n/an/a 50n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169632
PNG
(3-Cyclopentyl-6-{2-ethoxy-5-[4-(2-hydroxy-ethyl)-p...)
Show SMILES CCOc1ccc(cc1-c1nn2c(nnc2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C23H31N7O5S/c1-2-35-19-8-7-17(36(33,34)29-11-9-28(10-12-29)13-14-31)15-18(19)20-24-23(32)22-26-25-21(30(22)27-20)16-5-3-4-6-16/h7-8,15-16,31H,2-6,9-14H2,1H3,(H,24,27,32)
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n/an/a 50n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170480
PNG
(6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)Nc1nc(CC(=O)NO)cs1
Show InChI InChI=1S/C22H22N4O6S/c1-3-13-7-16(12(2)27)18(28)9-19(13)32-10-14-5-4-6-17(23-14)21(30)25-22-24-15(11-33-22)8-20(29)26-31/h4-7,9,11,28,31H,3,8,10H2,1-2H3,(H,26,29)(H,24,25,30)
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n/an/a 87n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169631
PNG
(3-Cyclopentyl-5-(2-ethoxy-phenyl)-6H-isoxazolo[4,5...)
Show SMILES CCOc1ccccc1-c1nc2c(noc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H19N3O3/c1-2-23-13-10-6-5-9-12(13)17-19-15-14(11-7-3-4-8-11)21-24-16(15)18(22)20-17/h5-6,9-11H,2-4,7-8H2,1H3,(H,19,20,22)
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n/an/a 200n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170492
PNG
(6-Phenoxymethyl-pyridine-2-carboxylic acid [4-(1-h...)
Show SMILES CCCCC(C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1
Show InChI InChI=1S/C22H24N4O4S/c1-2-3-11-17(20(27)26-29)19-14-31-22(24-19)25-21(28)18-12-7-8-15(23-18)13-30-16-9-5-4-6-10-16/h4-10,12,14,17,29H,2-3,11,13H2,1H3,(H,26,27)(H,24,25,28)
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n/an/a 200n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169645
PNG
(2-(2-Ethoxy-phenyl)-6-methyl-8-propyl-3H-imidazo[1...)
Show SMILES CCCc1nc(C)n2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-13-16-19-15(20-17(22)21(16)11(3)18-13)12-9-6-7-10-14(12)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,19,20,22)
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n/an/a 200n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Rattus norvegicus)
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 300n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50178874
PNG
(7-(2-hydroxy-3-(naphthalen-2-yloxy)propyl)-8-merca...)
Show SMILES Cn1c2[nH]c(=S)n(CC(O)COc3ccc4ccccc4c3)c2c(=O)[nH]c1=O
Show InChI InChI=1S/C19H18N4O4S/c1-22-16-15(17(25)21-18(22)26)23(19(28)20-16)9-13(24)10-27-14-7-6-11-4-2-3-5-12(11)8-14/h2-8,13,24H,9-10H2,1H3,(H,20,28)(H,21,25,26)
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n/an/a 300n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of PDE1


Bioorg Med Chem Lett 16: 1371-9 (2006)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
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 HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
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 HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50151635
PNG
(8''-chloro-5''-(1H-1,2,3,4-tetraazol-5-ylmethoxy)s...)
Show SMILES Clc1ccc(OCc2nnn[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C15H17ClN6O2/c16-9-4-5-10(24-8-11-19-21-22-20-11)12-13(9)17-14(23)18-15(12)6-2-1-3-7-15/h4-5H,1-3,6-8H2,(H2,17,18,23)(H,19,20,21,22)
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n/an/a 320n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 expressed in baculovirus infected Sf9 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
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 350n/an/an/an/an/an/a



Monash University (Parkville Campus)

Curated by ChEMBL


Assay Description
Inhibition of human phosphodiesterase 1


J Med Chem 48: 3449-62 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170554
PNG
(1-Phenyl-1,4-dihydro-quinoline-4-carboxylic acid (...)
Show SMILES ONC(=O)Cc1csc(NC(=O)C2C=CN(c3ccccc3)c3ccccc23)n1
Show InChI InChI=1S/C21H18N4O3S/c26-19(24-28)12-14-13-29-21(22-14)23-20(27)17-10-11-25(15-6-2-1-3-7-15)18-9-5-4-8-16(17)18/h1-11,13,17,28H,12H2,(H,24,26)(H,22,23,27)
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n/an/a 380n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170501
PNG
(6-(4-Acetyl-2-ethyl-5-hydroxy-phenoxymethyl)-pyrid...)
Show SMILES CCc1cc(C(C)=O)c(O)cc1OCc1cccc(n1)C(=O)NCC(=O)NO
Show InChI InChI=1S/C19H21N3O6/c1-3-12-7-14(11(2)23)16(24)8-17(12)28-10-13-5-4-6-15(21-13)19(26)20-9-18(25)22-27/h4-8,24,27H,3,9-10H2,1-2H3,(H,20,26)(H,22,25)
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n/an/a 390n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
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 HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50075695
PNG
(6,7-Dimethoxy-4-(3,4,5-trimethoxy-phenyl)-3H-napht...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c2COC(=O)c2cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H22O7/c1-25-17-7-12-6-15-16(11-30-23(15)24)21(14(12)10-18(17)26-2)13-8-19(27-3)22(29-5)20(9-13)28-4/h6-10H,11H2,1-5H3
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n/an/a 430n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 1 (PDE I), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50100673
PNG
(CHEMBL538498 | methyl 2-(4-aminophenyl)-4-(4-bromo...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(Br)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C31H26BrN3O6/c1-38-25-14-18(15-26(39-2)28(25)32)27-23-12-11-22(41-17-20-6-4-5-13-34-20)16-24(23)30(36)35(29(27)31(37)40-3)21-9-7-19(33)8-10-21/h4-16H,17,33H2,1-3H3
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n/an/a 460n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169637
PNG
(2-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCCc1nc(C)n2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C22H30N6O4S/c1-5-7-18-21-24-20(25-22(29)28(21)15(3)23-18)17-14-16(8-9-19(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 500n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169628
PNG
(9-Cyclopentyl-2-(2-ethoxy-phenyl)-1,9-dihydro-puri...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C18H20N4O2/c1-2-24-14-10-6-5-9-13(14)16-20-17-15(18(23)21-16)19-11-22(17)12-7-3-4-8-12/h5-6,9-12H,2-4,7-8H2,1H3,(H,20,21,23)
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n/an/a 500n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50100668
PNG
(CHEMBL542394 | ethyl 2-(4-aminophenyl)-1-oxo-7-(2-...)
Show SMILES CCOC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OCc3ccccn3)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C33H31N3O7/c1-5-42-33(38)30-29(20-16-27(39-2)31(41-4)28(17-20)40-3)25-14-13-24(43-19-22-8-6-7-15-35-22)18-26(25)32(37)36(30)23-11-9-21(34)10-12-23/h6-18H,5,19,34H2,1-4H3
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n/an/a 550n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)

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


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50151638
PNG
(8''-chloro-5''-(5-hydroxy-1,2,4-oxadiazol-3-ylmeth...)
Show SMILES Clc1ccc(OCc2nc(=O)o[nH]2)c2c1NC(=O)NC21CCCCC1
Show InChI InChI=1S/C16H17ClN4O4/c17-9-4-5-10(24-8-11-18-15(23)25-21-11)12-13(9)19-14(22)20-16(12)6-2-1-3-7-16/h4-5H,1-3,6-8H2,(H,18,21,23)(H2,19,20,22)
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n/an/a 610n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170466
PNG
(6-Phenoxymethyl-pyridine-2-carboxylic acid [4-(1-h...)
Show SMILES ONC(=O)C1(CC1)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1
Show InChI InChI=1S/C20H18N4O4S/c25-17(23-19-22-16(12-29-19)20(9-10-20)18(26)24-27)15-8-4-5-13(21-15)11-28-14-6-2-1-3-7-14/h1-8,12,27H,9-11H2,(H,24,26)(H,22,23,25)
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n/an/a 630n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50151636
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OS(=O)(=O)CCCOc1ccc(Cl)c2NC(=O)NC3(CCCCC3)c12
Show InChI InChI=1S/C16H21ClN2O5S/c17-11-5-6-12(24-9-4-10-25(21,22)23)13-14(11)18-15(20)19-16(13)7-2-1-3-8-16/h5-6H,1-4,7-10H2,(H2,18,19,20)(H,21,22,23)
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n/an/a 650n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human PDE1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4627-31 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170479
PNG
(6-Phenoxymethyl-pyridine-2-carboxylic acid [4-(1-h...)
Show SMILES CC(C)(C(=O)NO)c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1
Show InChI InChI=1S/C20H20N4O4S/c1-20(2,18(26)24-27)16-12-29-19(22-16)23-17(25)15-10-6-7-13(21-15)11-28-14-8-4-3-5-9-14/h3-10,12,27H,11H2,1-2H3,(H,24,26)(H,22,23,25)
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n/an/a 670n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50151597
PNG
(3-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1cccc(c1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-16-11-14(12-5-4-6-13(9-12)18(24)25)10-15-17(16)22-19(26)23-20(15)7-2-1-3-8-20/h4-6,9-11H,1-3,7-8H2,(H,24,25)(H2,22,23,26)
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n/an/a 710n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4623-6 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50111899
PNG
(5-(2-Ethoxy-phenyl)-1-methyl-3-propyl-1,6-dihydro-...)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1ccccc1OCC
Show InChI InChI=1S/C17H20N4O2/c1-4-8-12-14-15(21(3)20-12)17(22)19-16(18-14)11-9-6-7-10-13(11)23-5-2/h6-7,9-10H,4-5,8H2,1-3H3,(H,18,19,22)
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n/an/a 790n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169644
PNG
(3-Cyclopentyl-5-(2-ethoxy-phenyl)-3,6-dihydro-[1,2...)
Show SMILES CCOc1ccccc1-c1nc2n(nnc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C17H19N5O2/c1-2-24-13-10-6-5-9-12(13)15-18-16-14(17(23)19-15)20-21-22(16)11-7-3-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,18,19,23)
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n/an/a 800n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50052090
PNG
(6,7-Dimethoxy-9-(3,4,5-trimethoxy-phenyl)-3H-napht...)
Show SMILES COc1cc(cc(OC)c1OC)-c1c2C(=O)OCc2cc2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H22O7/c1-25-16-7-12-6-14-11-30-23(24)21(14)20(15(12)10-17(16)26-2)13-8-18(27-3)22(29-5)19(9-13)28-4/h6-10H,11H2,1-5H3
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n/an/a 820n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 1 (PDE I), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50075710
PNG
(3-Carbamoyl-6,7-dimethoxy-1-(3,4,5-trimethoxy-phen...)
Show SMILES COC(=O)c1c(cc2cc(OC)c(OC)cc2c1-c1cc(OC)c(OC)c(OC)c1)C(N)=O
Show InChI InChI=1S/C24H25NO8/c1-28-16-8-12-7-15(23(25)26)21(24(27)33-6)20(14(12)11-17(16)29-2)13-9-18(30-3)22(32-5)19(10-13)31-4/h7-11H,1-6H3,(H2,25,26)
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n/an/a 820n/an/an/an/an/an/a



Tanabe Seiyaku Company, Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against phosphodiesterase 1 (PDE I), isolated from cardiac ventricle


J Med Chem 42: 1293-305 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50151615
PNG
(4-[8''-chloro-2''-oxospiro[cyclohexane-1,4''-(1'',...)
Show SMILES OC(=O)c1ccc(cc1)-c1cc(Cl)c2NC(=O)NC3(CCCCC3)c2c1
Show InChI InChI=1S/C20H19ClN2O3/c21-16-11-14(12-4-6-13(7-5-12)18(24)25)10-15-17(16)22-19(26)23-20(15)8-2-1-3-9-20/h4-7,10-11H,1-3,8-9H2,(H,24,25)(H2,22,23,26)
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n/an/a 890n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
In vitro inhibition of human Phosphodiesterase 1 partially purified from THP-1 cells


Bioorg Med Chem Lett 14: 4623-6 (2004)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170502
PNG
(6-Phenoxymethyl-pyridine-2-carboxylic acid (4-hydr...)
Show SMILES ONC(=O)Cc1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1
Show InChI InChI=1S/C18H16N4O4S/c23-16(22-25)9-13-11-27-18(20-13)21-17(24)15-8-4-5-12(19-15)10-26-14-6-2-1-3-7-14/h1-8,11,25H,9-10H2,(H,22,23)(H,20,21,24)
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n/an/a 920n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169642
PNG
(9-Cyclopropyl-2-(2-ethoxy-phenyl)-1,9-dihydro-puri...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CC1
Show InChI InChI=1S/C16H16N4O2/c1-2-22-12-6-4-3-5-11(12)14-18-15-13(16(21)19-14)17-9-20(15)10-7-8-10/h3-6,9-10H,2,7-8H2,1H3,(H,18,19,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169647
PNG
(7-Cyclopentyl-2-[2-ethoxy-5-(4-methyl-piperazine-1...)
Show SMILES CCOc1ccc(cc1-c1nn2c(nc(CC)c2c(=O)[nH]1)C1CCCC1)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C25H34N6O4S/c1-4-20-22-25(32)27-23(28-31(22)24(26-20)17-8-6-7-9-17)19-16-18(10-11-21(19)35-5-2)36(33,34)30-14-12-29(3)13-15-30/h10-11,16-17H,4-9,12-15H2,1-3H3,(H,27,28,32)
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n/an/a>1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169629
PNG
(9-Cyclobutyl-2-(2-ethoxy-phenyl)-1,9-dihydro-purin...)
Show SMILES CCOc1ccccc1-c1nc2n(cnc2c(=O)[nH]1)C1CCC1
Show InChI InChI=1S/C17H18N4O2/c1-2-23-13-9-4-3-8-12(13)15-19-16-14(17(22)20-15)18-10-21(16)11-6-5-7-11/h3-4,8-11H,2,5-7H2,1H3,(H,19,20,22)
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n/an/a 1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Rattus norvegicus)
BDBM50100667
PNG
(2-(4-Amino-phenyl)-7-methoxy-1-oxo-4-(3,4,5-trimet...)
Show SMILES COC(=O)c1c(-c2cc(OC)c(OC)c(OC)c2)c2ccc(OC)cc2c(=O)n1-c1ccc(N)cc1
Show InChI InChI=1S/C27H26N2O7/c1-32-18-10-11-19-20(14-18)26(30)29(17-8-6-16(28)7-9-17)24(27(31)36-5)23(19)15-12-21(33-2)25(35-4)22(13-15)34-3/h6-14H,28H2,1-5H3
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n/an/a 1.00E+3n/an/an/an/an/an/a



Tanabe Seiyaku Co., Ltd.

Curated by ChEMBL


Assay Description
Inhibitory activity against rat heart Phosphodiesterase 1(PDE1)


J Med Chem 44: 2204-18 (2001)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169625
PNG
(2-{2-Ethoxy-5-[4-(2-hydroxy-ethyl)-piperazine-1-su...)
Show SMILES CCOc1ccc(cc1-c1nn2c(C)nc(C)c2c(=O)[nH]1)S(=O)(=O)N1CCN(CCO)CC1
Show InChI InChI=1S/C21H28N6O5S/c1-4-32-18-6-5-16(33(30,31)26-9-7-25(8-10-26)11-12-28)13-17(18)20-23-21(29)19-14(2)22-15(3)27(19)24-20/h5-6,13,28H,4,7-12H2,1-3H3,(H,23,24,29)
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n/an/a 1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50170552
PNG
(CHEMBL365147 | Naphthalene-1-carboxylic acid (4-hy...)
Show SMILES ONC(=O)Cc1csc(NC(=O)c2cccc3ccccc23)n1
Show InChI InChI=1S/C16H13N3O3S/c20-14(19-22)8-11-9-23-16(17-11)18-15(21)13-7-3-5-10-4-1-2-6-12(10)13/h1-7,9,22H,8H2,(H,19,20)(H,17,18,21)
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n/an/a 1.00E+3n/an/an/an/an/an/a



Sumitomo Pharmaceuticals Co., Ltd

Curated by ChEMBL


Assay Description
Inhibitory concentration against Phosphodiesterase type 1


Bioorg Med Chem Lett 15: 4085-90 (2005)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(Homo sapiens (Human)-Homo sapiens (human))
BDBM50169646
PNG
(6-[2-Ethoxy-5-(4-methyl-piperazine-1-sulfonyl)-phe...)
Show SMILES CCCn1nc(CC)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)N1CCN(C)CC1
Show InChI InChI=1S/C23H32N6O4S/c1-5-10-29-22-20(18(6-2)26-29)23(30)25-21(24-22)17-15-16(8-9-19(17)33-7-3)34(31,32)28-13-11-27(4)12-14-28/h8-9,15H,5-7,10-14H2,1-4H3,(H,24,25,30)
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n/an/a>1.00E+3n/an/an/an/an/an/a



BAYER HealthCare AG

Curated by ChEMBL


Assay Description
Inhibition of phosphodiesterase 1


Bioorg Med Chem Lett 15: 3900-7 (2005)

More data for this
Ligand-Target Pair
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