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Compile Data Set for Download or QSAR

Found 382 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 1'   
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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 0.400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50129817
PNG
(CHEMBL3628685)
Show SMILES COc1ccc(CNC(=O)c2ccc(OC(F)F)c(OC3CCCC3)c2)cc1
Show InChI InChI=1S/C21H23F2NO4/c1-26-16-9-6-14(7-10-16)13-24-20(25)15-8-11-18(28-21(22)23)19(12-15)27-17-4-2-3-5-17/h6-12,17,21H,2-5,13H2,1H3,(H,24,25)
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n/an/a>1n/an/an/an/an/an/a



Southern Medical University

Curated by ChEMBL


Assay Description
Inhibition of human PDE1A using AM-Cyclic-3',5'-AMP after 60 mins by fluorescence polarization assay


Bioorg Med Chem 23: 7332-9 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300099
PNG
(6-benzyl-1-cyclopentyl-1,5-dihydro-4H-pyrazolo[3,4...)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCCC1
Show InChI InChI=1S/C17H18N4O/c22-17-14-11-18-21(13-8-4-5-9-13)16(14)19-15(20-17)10-12-6-2-1-3-7-12/h1-3,6-7,11,13H,4-5,8-10H2,(H,19,20,22)
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n/an/a 2.10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50259015
PNG
(5-(3-chlorobenzyl)-3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 4n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1c


Bioorg Med Chem Lett 19: 2537-41 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073692
PNG
(5-methyl-2-(4-methylpentyl)-(6aR,9aS)-3,4,5,8-tetr...)
Show SMILES CC(C)CCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C17H25N5O/c1-10(2)6-4-9-13-19-14-15(20-13)22-12-8-5-7-11(12)18-17(22)21(3)16(14)23/h10-12H,4-9H2,1-3H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 6n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

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))
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))
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))
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


(BOVINE)
BDBM50073694
PNG
((R)-7-Isopropyl-5-methyl-2-(4-methyl-pentyl)-7,8-d...)
Show SMILES CC(C)CCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C
Show InChI InChI=1S/C17H27N5O/c1-10(2)7-6-8-13-19-14-15(20-13)22-9-12(11(3)4)18-17(22)21(5)16(14)23/h10-12H,6-9H2,1-5H3,(H,19,20)/t12-/m0/s1
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n/an/a 12n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50059032
PNG
((6aR,9aS)-2-(3-methylbutyl)-5,6a,7,8,9,9a-hexahydr...)
Show SMILES CC(C)CCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C16H23N5O/c1-9(2)7-8-12-18-13-14(19-12)21-11-6-4-5-10(11)17-16(21)20(3)15(13)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073701
PNG
(2'-hexyl-5'-methylspiro[cyclopentane-1,7'-(4',5',7...)
Show SMILES CCCCCCc1nc2N3CC4(CCCC4)N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-9-13-19-14-15(20-13)23-12-18(10-7-8-11-18)21-17(23)22(2)16(14)24/h3-12H2,1-2H3,(H,19,20)
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n/an/a 14n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397850
PNG
(CHEMBL2179093)
Show SMILES O=c1[nH]c(Cc2ccccc2)nc2n(ncc12)C1CCOCC1
Show InChI InChI=1S/C17H18N4O2/c22-17-14-11-18-21(13-6-8-23-9-7-13)16(14)19-15(20-17)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2,(H,19,20,22)
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n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073695
PNG
((R)-7-Isopropyl-5-methyl-2-(3-methyl-butyl)-7,8-di...)
Show SMILES CC(C)CCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C
Show InChI InChI=1S/C16H25N5O/c1-9(2)6-7-12-18-13-14(19-12)21-8-11(10(3)4)17-16(21)20(5)15(13)22/h9-11H,6-8H2,1-5H3,(H,18,19)/t11-/m0/s1
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n/an/a 15n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

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 1A (PDE1A)


(Homo sapiens (Human))
BDBM50241654
PNG
((+)-berbamine | Berbamine | CHEMBL504323)
Show SMILES COc1cc2CCN(C)[C@H]3Cc4ccc(Oc5cc(C[C@H]6N(C)CCc7cc(OC)c(OC)c(Oc1cc23)c67)ccc5O)cc4
Show InChI InChI=1S/C37H40N2O6/c1-38-14-12-24-19-32(41-3)33-21-27(24)28(38)16-22-6-9-26(10-7-22)44-31-18-23(8-11-30(31)40)17-29-35-25(13-15-39(29)2)20-34(42-4)36(43-5)37(35)45-33/h6-11,18-21,28-29,40H,12-17H2,1-5H3/t28-,29+/m0/s1
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n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of calmodulin-dependent phosphodiesterase


J Nat Prod 54: 645-749 (1991)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073700
PNG
((R)-2-Hexyl-7-isopropyl-5-methyl-7,8-dihydro-3H,5H...)
Show SMILES CCCCCCc1nc2N3C[C@H](N=C3N(C)C(=O)c2[nH]1)C(C)C
Show InChI InChI=1S/C17H27N5O/c1-5-6-7-8-9-13-19-14-15(20-13)22-10-12(11(2)3)18-17(22)21(4)16(14)23/h11-12H,5-10H2,1-4H3,(H,19,20)/t12-/m0/s1
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n/an/a 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073703
PNG
(2-Hexyl-5,7,7-trimethyl-7,8-dihydro-3H,5H-imidazo[...)
Show SMILES CCCCCCc1nc2N3CC(C)(C)N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C16H25N5O/c1-5-6-7-8-9-11-17-12-13(18-11)21-10-16(2,3)19-15(21)20(4)14(12)22/h5-10H2,1-4H3,(H,17,18)
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n/an/a 25n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

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))
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


(BOVINE)
BDBM50073696
PNG
(5-methyl-2-pentyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C16H23N5O/c1-3-4-5-9-12-18-13-14(19-12)21-11-8-6-7-10(11)17-16(21)20(2)15(13)22/h10-11H,3-9H2,1-2H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 31n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073702
PNG
(2-heptyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocycl...)
Show SMILES CCCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C19H29N5O/c1-3-4-5-6-7-8-12-15-21-16-17(22-15)24-14-11-9-10-13(14)20-19(24)23(2)18(16)25/h13-14H,3-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1
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n/an/a 33n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50059062
PNG
((6aR,9aS)-2-Hexyl-5,6a,7,8,9,9a-hexahydro-5-methyl...)
Show SMILES CCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C17H25N5O/c1-3-4-5-6-10-13-19-14-15(20-13)22-12-9-7-8-11(12)18-17(22)21(2)16(14)23/h11-12H,3-10H2,1-2H3,(H,19,20)/t11-,12+/m1/s1
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300113
PNG
(1-cyclopentyl-6-[(3S,4S)-4-methyl-1-(quinoxalin-6-...)
Show SMILES C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

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 1A (PDE1A)


(Homo sapiens (Human))
BDBM50259015
PNG
(5-(3-chlorobenzyl)-3-isopropyl-1H-pyrazolo[4,3-d]p...)
Show SMILES CC(C)c1[nH]nc2c1nc(Cc1cccc(Cl)c1)[nH]c2=O
Show InChI InChI=1S/C15H15ClN4O/c1-8(2)12-13-14(20-19-12)15(21)18-11(17-13)7-9-4-3-5-10(16)6-9/h3-6,8H,7H2,1-2H3,(H,19,20)(H,17,18,21)
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n/an/a 54n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of PDE1a


Bioorg Med Chem Lett 19: 2537-41 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073697
PNG
(5-methyl-2-(1-propylbutyl)-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCCC(CCC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C18H27N5O/c1-4-7-11(8-5-2)15-20-14-16(21-15)23-13-10-6-9-12(13)19-18(23)22(3)17(14)24/h11-13H,4-10H2,1-3H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 60n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM50067186
PNG
(CHEMBL3401745)
Show SMILES CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(ccc1OCC)S(=O)(=O)NCCCCCCO
Show InChI InChI=1S/C23H33N5O5S/c1-4-10-18-20-21(28(3)27-18)23(30)26-22(25-20)17-15-16(11-12-19(17)33-5-2)34(31,32)24-13-8-6-7-9-14-29/h11-12,15,24,29H,4-10,13-14H2,1-3H3,(H,25,26,30)
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n/an/a 62n/an/an/an/an/an/a



CSIR-Indian Institute of Integrative Medicine

Curated by ChEMBL


Assay Description
Inhibition of PDE1A1 (unknown origin) using fluorescently labeled cAMP substrate by fluorescence polarization assay


Bioorg Med Chem 23: 2121-8 (2015)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300112
PNG
(CHEMBL565667 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@H]1CN(Cc2ccc3nccnc3c2)C[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C24H27N7O/c1-15-12-30(13-16-6-7-20-21(10-16)26-9-8-25-20)14-19(15)22-28-23-18(24(32)29-22)11-27-31(23)17-4-2-3-5-17/h6-11,15,17,19H,2-5,12-14H2,1H3,(H,28,29,32)/t15-,19-/m0/s1
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n/an/a 73n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

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


(BOVINE)
BDBM50073704
PNG
(2-butyl-5-methyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C15H21N5O/c1-3-4-8-11-17-12-13(18-11)20-10-7-5-6-9(10)16-15(20)19(2)14(12)21/h9-10H,3-8H2,1-2H3,(H,17,18)/t9-,10+/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300110
PNG
(CHEMBL583064 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cc(C)on2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C20H26N6O2/c1-12-9-25(10-14-7-13(2)28-24-14)11-17(12)18-22-19-16(20(27)23-18)8-21-26(19)15-5-3-4-6-15/h7-8,12,15,17H,3-6,9-11H2,1-2H3,(H,22,23,27)/t12-,17-/m1/s1
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n/an/a 110n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50398790
PNG
(CHEMBL2180072)
Show SMILES C[C@@H](N1CC(C1)Oc1ccccc1)c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H25N5O2/c1-14(25-12-17(13-25)28-16-9-3-2-4-10-16)19-23-20-18(21(27)24-19)11-22-26(20)15-7-5-6-8-15/h2-4,9-11,14-15,17H,5-8,12-13H2,1H3,(H,23,24,27)/t14-/m1/s1
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n/an/a 116n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of PDE1C


J Med Chem 55: 9055-68 (2012)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073693
PNG
(2-(1-ethylpropyl)-5-methyl-(6aR,9aS)-3,4,5,8-tetra...)
Show SMILES CCC(CC)c1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C16H23N5O/c1-4-9(5-2)13-18-12-14(19-13)21-11-8-6-7-10(11)17-16(21)20(3)15(12)22/h9-11H,4-8H2,1-3H3,(H,18,19)/t10-,11+/m1/s1
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1


(BOVINE)
BDBM50073698
PNG
(5-methyl-2-octyl-(6aR,9aS)-3,4,5,8-tetrahydrocyclo...)
Show SMILES CCCCCCCc1nc2N3[C@H]4CCC[C@H]4N=C3N(C)C(=O)c2[nH]1
Show InChI InChI=1S/C18H27N5O/c1-3-4-5-6-7-11-14-20-15-16(21-14)23-13-10-8-9-12(13)19-18(23)22(2)17(15)24/h12-13H,3-11H2,1-2H3,(H,20,21)/t12-,13+/m1/s1
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n/an/a 160n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Optimum inhibitory concentration required to inhibit c-GMP specific phosphodiesterase 1 (PDE1) of bovine aorta


Bioorg Med Chem Lett 9: 7-12 (1999)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50397844
PNG
(CHEMBL2179099)
Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H26FN5O2/c1-14-11-27(12-15-2-4-16(23)5-3-15)13-19(14)20-25-21-18(22(29)26-20)10-24-28(21)17-6-8-30-9-7-17/h2-5,10,14,17,19H,6-9,11-13H2,1H3,(H,25,26,29)/t14-,19-/m1/s1
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n/an/a 165n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells using [3H]cAMP as substrate after 30 mins by scintillation proximity assay


J Med Chem 55: 9045-54 (2012)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300109
PNG
(CHEMBL575791 | trans-1-cyclopentyl-6-(1-((1,3-dime...)
Show SMILES C[C@@H]1CN(Cc2cc(C)nn2C)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H29N7O/c1-13-10-27(11-16-8-14(2)25-26(16)3)12-18(13)19-23-20-17(21(29)24-19)9-22-28(20)15-6-4-5-7-15/h8-9,13,15,18H,4-7,10-12H2,1-3H3,(H,23,24,29)/t13-,18-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300106
PNG
(CHEMBL574449 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2ccc(nc2)C(F)(F)F)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C22H25F3N6O/c1-13-10-30(11-14-6-7-18(26-8-14)22(23,24)25)12-17(13)19-28-20-16(21(32)29-19)9-27-31(20)15-4-2-3-5-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,28,29,32)/t13-,17-/m1/s1
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n/an/a 195n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

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))
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))
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 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300108
PNG
(CHEMBL575790 | trans-1-cyclopentyl-6-(4-methyl-1-(...)
Show SMILES C[C@@H]1CN(Cc2cnc(C)cn2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C21H27N7O/c1-13-10-27(11-15-8-22-14(2)7-23-15)12-18(13)19-25-20-17(21(29)26-19)9-24-28(20)16-5-3-4-6-16/h7-9,13,16,18H,3-6,10-12H2,1-2H3,(H,25,26,29)/t13-,18-/m1/s1
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n/an/a 209n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
Phosphodiesterase 1C (PDE1C)


(Homo sapiens (Human))
BDBM50300111
PNG
(CHEMBL566300 | trans-1-cyclopentyl-6-(1-(imidazo[1...)
Show SMILES C[C@@H]1CN(Cc2cn3ccccc3n2)C[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCCC1
Show InChI InChI=1S/C23H27N7O/c1-15-11-28(12-16-13-29-9-5-4-8-20(29)25-16)14-19(15)21-26-22-18(23(31)27-21)10-24-30(22)17-6-2-3-7-17/h4-5,8-10,13,15,17,19H,2-3,6-7,11-12,14H2,1H3,(H,26,27,31)/t15-,19-/m1/s1
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n/an/a 220n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PDE1C expressed in Sf9 cells by SPA


J Med Chem 52: 7946-9 (2009)

More data for this
Ligand-Target Pair
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