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Compile Data Set for Download or QSAR

Found 360 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 1' AND taxid = 9606   
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 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O
Show InChI InChI=1S/C26H27FN6O2/c1-15-12-19(10-11-20(15)27)28-22-21-23(32-14-26(3,4)29-25(32)31(5)24(21)35)30-33(22)13-17-6-8-18(9-7-17)16(2)34/h6-12,28H,13-14H2,1-5H3
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US Patent
0.100n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
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US Patent
0.200n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O
Show InChI InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
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US Patent
0.300n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(C)c3)c2C1=O
Show InChI InChI=1S/C26H27FN6O2/c1-15-12-19(10-11-20(15)27)28-22-21-23(32-14-26(3,4)29-25(32)31(5)24(21)35)30-33(22)13-17-6-8-18(9-7-17)16(2)34/h6-12,28H,13-14H2,1-5H3
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0.400n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
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0.5n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)cc3)c2C1=O
Show InChI InChI=1S/C25H25FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,27H,13-14H2,1-4H3
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1n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1/C25H27FN6O2/c1-15(33)17-7-5-16(6-8-17)13-32-21(27-19-11-9-18(26)10-12-19)20-22(29-32)31-14-25(2,3)28-24(31)30(4)23(20)34/h5-12,15,27,33H,13-14H2,1-4H3
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4n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3)
Show SMILES CN1C2=NC(C)(C)CN2c2nn(Cc3ccc(cc3)C(C)=O)c(Nc3ccc(F)c(F)c3)c2C1=O
Show InChI InChI=1S/C25H24F2N6O2/c1-14(34)16-7-5-15(6-8-16)12-33-21(28-17-9-10-18(26)19(27)11-17)20-22(30-33)32-13-25(2,3)29-24(32)31(4)23(20)35/h5-11,28H,12-13H2,1-4H3
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4n/an/an/an/an/an/an/an/a



INTRA-CELLULAR THERAPIES, INC.

US Patent


Assay Description
Materials: All chemicals are available from Sigma-Aldrich (St. Louis, Mo.) except for IMAP reagents (reaction buffer, binding buffer, FL-GMP and IMAP...


US Patent US9073936 (2015)

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


(Homo sapiens (Human))
BDBM50362048
PNG
(CHEMBL1940058)
Show SMILES CC(C)Oc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O2/c1-13(2)27-16-10-14(3)20-17(11-16)18(12-25-6-5-8-26-9-7-25)19-15(4)23-24-21(19)22-20/h10-11,13H,5-9,12H2,1-4H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362047
PNG
(CHEMBL1940057)
Show SMILES COCCOc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C21H28N4O3/c1-14-11-16(28-10-9-26-3)12-17-18(13-25-5-4-7-27-8-6-25)19-15(2)23-24-21(19)22-20(14)17/h11-12H,4-10,13H2,1-3H3,(H,22,23,24)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362046
PNG
(CHEMBL1940056)
Show SMILES Cc1n[nH]c2nc3c(C)cc(O)cc3c(CN3CCCOCC3)c12
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23)9-14-15(10-22-4-3-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9,23H,3-7,10H2,1-2H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362043
PNG
(CHEMBL1940053)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCCOCC3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-12-9-14(24-3)10-15-16(11-23-5-4-7-25-8-6-23)17-13(2)21-22-19(17)20-18(12)15/h9-10H,4-8,11H2,1-3H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362036
PNG
(CHEMBL1939915)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOC(C)C3)c2c1
Show InChI InChI=1S/C19H24N4O2/c1-11-7-14(24-4)8-15-16(10-23-5-6-25-12(2)9-23)17-13(3)21-22-19(17)20-18(11)15/h7-8,12H,5-6,9-10H2,1-4H3,(H,20,21,22)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362035
PNG
(CHEMBL1939914)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CCOCC3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-11-8-13(23-3)9-14-15(10-22-4-6-24-7-5-22)16-12(2)20-21-18(16)19-17(11)14/h8-9H,4-7,10H2,1-3H3,(H,19,20,21)
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

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


(Homo sapiens (Human))
BDBM50362033
PNG
(CHEMBL1939912)
Show SMILES COc1cc(C)c2nc3[nH]nc(C)c3c(CN3CC[C@@H](O)C3)c2c1
Show InChI InChI=1S/C18H22N4O2/c1-10-6-13(24-3)7-14-15(9-22-5-4-12(23)8-22)16-11(2)20-21-18(16)19-17(10)14/h6-7,12,23H,4-5,8-9H2,1-3H3,(H,19,20,21)/t12-/m1/s1
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>1.00E+4n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Displacement of [3H]cAMP from PDE1A3 by competitive binding assay


Bioorg Med Chem Lett 22: 235-9 (2011)

More data for this
Ligand-Target Pair
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 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


(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))
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 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


(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


(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


(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 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 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))
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 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 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 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))
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 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 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


(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
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