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Compile Data Set for Download or QSAR

Found 253 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 1A (PDE1A)'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 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
0.100 -58.0n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1 | US9598426, 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
0.200 -56.3n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3 | US9598426, 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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0.300 -55.3n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168129
PNG
(US9073936, 4 | US9598426, 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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0.400 -54.5n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/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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0.5 -54.0n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168126
PNG
(US9073936, 1 | US9598426, 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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1 -52.2n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168127
PNG
(US9073936, 2 | US9598426, 2)
Show SMILES CC(O)c1ccc(Cn2nc3N4CC(C)(C)N=C4N(C)C(=O)c3c2Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/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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4 -48.7n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM168128
PNG
(US9073936, 3 | US9598426, 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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4 -48.7n/an/an/an/an/a7.530



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)


BindingDB Entry DOI: 10.7270/Q2348J5T
More data for this
Ligand-Target Pair
Phosphodiesterase 1A (PDE1A)


(Homo sapiens (Human))
BDBM279166
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(2-methoxy-3-pyridyl)met...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccnc2OC)c2n(nc(C)c2n1)C1COC1
Show InChI InChI=1S/C24H26N6O3/c1-4-33-24-18(8-6-10-26-24)19-11-20(27-12-16-7-5-9-25-23(16)31-3)22-21(28-19)15(2)29-30(22)17-13-32-14-17/h5-11,17H,4,12-14H2,1-3H3,(H,27,28)
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n/an/a 190n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279167
PNG
(5-(2-(ethyl(methyl)amino)pyridin-3-yl)-1-isopropyl...)
Show SMILES CCN(C)c1ncccc1-c1cc(NCc2ccc(OC)cc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C26H32N6O/c1-7-31(5)26-21(9-8-14-27-26)22-15-23(28-16-19-10-12-20(33-6)13-11-19)25-24(29-22)18(4)30-32(25)17(2)3/h8-15,17H,7,16H2,1-6H3,(H,28,29)
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n/an/a 1.10E+3n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279168
PNG
(5-(2-ethoxypyridin-3-yl)-3-(fluoromethyl)-1-isopro...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(CF)c2n1)C(C)C
Show InChI InChI=1S/C22H26FN7O/c1-5-31-22-16(7-6-8-24-22)17-9-18(25-11-15-12-26-29(4)13-15)21-20(27-17)19(10-23)28-30(21)14(2)3/h6-9,12-14H,5,10-11H2,1-4H3,(H,25,27)
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n/an/a 7.40n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279169
PNG
(1-isopropyl-3-methyl-N-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1ocnc1C
Show InChI InChI=1S/C19H23N7O/c1-11(2)26-18-15(20-7-14-8-22-25(5)9-14)6-16(19-13(4)21-10-27-19)23-17(18)12(3)24-26/h6,8-11H,7H2,1-5H3,(H,20,23)
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n/an/a 98n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279170
PNG
(5-[2-(dimethylamino)-3-pyridyl]-1-isopropyl-3-meth...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1cccnc1N(C)C
Show InChI InChI=1S/C22H28N8/c1-14(2)30-21-19(24-11-16-12-25-29(6)13-16)10-18(26-20(21)15(3)27-30)17-8-7-9-23-22(17)28(4)5/h7-10,12-14H,11H2,1-6H3,(H,24,26)
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n/an/a 2.10E+3n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279171
PNG
(1-isopropyl-3-methyl-N-((1-methyl-1H-pyrazol-4-yl)...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nc(C)co1
Show InChI InChI=1S/C19H23N7O/c1-11(2)26-18-15(20-7-14-8-21-25(5)9-14)6-16(19-22-12(3)10-27-19)23-17(18)13(4)24-26/h6,8-11H,7H2,1-5H3,(H,20,23)
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n/an/a 92n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279172
PNG
(1-isopropyl-3-methyl-N-[(1-methylpyrazol-4-yl)meth...)
Show SMILES CC(C)n1nc(C)c2nc(cc(NCc3cnn(C)c3)c12)-c1nncn1C
Show InChI InChI=1S/C18H23N9/c1-11(2)27-17-14(19-7-13-8-21-26(5)9-13)6-15(18-23-20-10-25(18)4)22-16(17)12(3)24-27/h6,8-11H,7H2,1-5H3,(H,19,22)
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n/an/a 410n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278971
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnc(C)o2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
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n/an/a 18n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278972
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-12-19-25-11-14(4)30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,26)
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n/an/a 0.460n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278973
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)on2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)30-27-16)21-20(25-18)15(5)26-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)
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n/an/a 0.800n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278974
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnc(C)o2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-10-19(25-12-16-11-24-15(5)30-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,25,26)
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n/an/a 8.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278975
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-6-30-21-16(8-7-9-22-21)17-10-18(23-11-15-12-24-28(5)27-15)20-19(25-17)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,25)
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n/an/a 11n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278976
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)nn2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-6-30-21-16(8-7-9-22-21)17-10-18(23-11-15-12-28(5)27-25-15)20-19(24-17)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,24)
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n/an/a 4.80n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278977
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-(1H-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn[nH]c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-8-22-21)17-9-18(23-10-15-11-24-25-12-15)20-19(26-17)14(4)27-28(20)13(2)3/h6-9,11-13H,5,10H2,1-4H3,(H,23,26)(H,24,25)
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n/an/a 21n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278978
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C20H25N9O/c1-6-30-20-14(8-7-9-21-20)15-10-16(22-11-17-24-27-28(5)26-17)19-18(23-15)13(4)25-29(19)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,22,23)
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n/an/a 2.90n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278979
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-3-methyl-N-((...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H27N7O/c1-6-30-22-17(8-7-9-23-22)18-10-19(24-11-16-12-25-28(5)13-16)21-20(26-18)15(4)27-29(21)14(2)3/h7-10,12-14H,6,11H2,1-5H3,(H,24,26)
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n/an/a 2.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278980
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(3-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)no2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6O2/c1-6-29-22-17(8-7-9-23-22)18-11-19(24-12-16-10-14(4)27-30-16)21-20(25-18)15(5)26-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,24,25)
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n/an/a 4.10n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278981
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2csc(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-17(8-7-9-23-22)18-10-19(24-11-16-12-30-15(5)25-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,24,26)
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n/an/a 9.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278982
PNG
(1-cyclopropyl-5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C1CC1
Show InChI InChI=1S/C22H25N7O/c1-4-30-22-17(6-5-9-23-22)18-10-19(24-11-15-12-25-28(3)13-15)21-20(26-18)14(2)27-29(21)16-7-8-16/h5-6,9-10,12-13,16H,4,7-8,11H2,1-3H3,(H,24,26)
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n/an/a 200n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278983
PNG
(5-(2-ethoxy-3-pyridyl)-N-[(1-methylpyrazol-4-yl)me...)
Show SMILES CCCn1ncc2nc(cc(NCc3cnn(C)c3)c12)-c1cccnc1OCC
Show InChI InChI=1S/C21H25N7O/c1-4-9-28-20-18(23-11-15-12-24-27(3)14-15)10-17(26-19(20)13-25-28)16-7-6-8-22-21(16)29-5-2/h6-8,10,12-14H,4-5,9,11H2,1-3H3,(H,23,26)
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n/an/a 90n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278984
PNG
(5-(2-ethoxypyridin-3-yl)-N-((1-methyl-1H-pyrazol-4...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(ncc2n1)C1COC1
Show InChI InChI=1S/C21H23N7O2/c1-3-30-21-16(5-4-6-22-21)17-7-18(23-8-14-9-24-27(2)11-14)20-19(26-17)10-25-28(20)15-12-29-13-15/h4-7,9-11,15H,3,8,12-13H2,1-2H3,(H,23,26)
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n/an/a 450n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278985
PNG
(5-(2-ethoxypyridin-3-yl)-1-methyl-N-(1-(1-methyl-1...)
Show SMILES CCOc1ncccc1-c1cc(NC(C)c2cnn(C)c2)c2n(C)ncc2n1
Show InChI InChI=1S/C20H23N7O/c1-5-28-20-15(7-6-8-21-20)16-9-17(19-18(25-16)11-23-27(19)4)24-13(2)14-10-22-26(3)12-14/h6-13H,5H2,1-4H3,(H,24,25)
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n/an/a 820n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278986
PNG
(5-(2-ethoxypyridin-3-yl)-1-methyl-N-((1-methyl-1H-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(C)ncc2n1
Show InChI InChI=1S/C19H21N7O/c1-4-27-19-14(6-5-7-20-19)15-8-16(18-17(24-15)11-23-26(18)3)21-9-13-10-22-25(2)12-13/h5-8,10-12H,4,9H2,1-3H3,(H,21,24)
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n/an/a 670n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278987
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(1-methylimi...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nccn2C)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-15(7-6-8-23-21)16-11-17(24-13-19-22-9-10-27(19)4)20-18(26-16)12-25-28(20)14(2)3/h6-12,14H,5,13H2,1-4H3,(H,24,26)
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n/an/a 700n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278988
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-N-((1-methyl-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccnn2C)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-9-22-21)17-11-18(23-12-15-8-10-24-27(15)4)20-19(26-17)13-25-28(20)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,23,26)
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n/an/a 450n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278989
PNG
(5-(2-ethoxypyridin-3-yl)-1-isopropyl-N-((1-methyl-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccn(C)n2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-9-22-21)17-11-18(23-12-15-8-10-27(4)26-15)20-19(25-17)13-24-28(20)14(2)3/h6-11,13-14H,5,12H2,1-4H3,(H,23,25)
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n/an/a 66n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278990
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-(thiazol-2-yl...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nccs2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C20H22N6OS/c1-4-27-20-14(6-5-7-22-20)15-10-16(23-12-18-21-8-9-28-18)19-17(25-15)11-24-26(19)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,25)
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n/an/a 520n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278991
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(1-methylimi...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cn(C)cn2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-8-22-21)17-9-18(23-10-15-12-27(4)13-24-15)20-19(26-17)11-25-28(20)14(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,23,26)
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n/an/a 8.90n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278992
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-(4-pyridylmet...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccncc2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C22H24N6O/c1-4-29-22-17(6-5-9-24-22)18-12-19(25-13-16-7-10-23-11-8-16)21-20(27-18)14-26-28(21)15(2)3/h5-12,14-15H,4,13H2,1-3H3,(H,25,27)
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n/an/a 250n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278993
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-(m-tolylmethy...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cccc(C)c2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C24H27N5O/c1-5-30-24-19(10-7-11-25-24)20-13-21(26-14-18-9-6-8-17(4)12-18)23-22(28-20)15-27-29(23)16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,26,28)
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n/an/a 240n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278994
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-(p-tolylmethy...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)cc2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C24H27N5O/c1-5-30-24-19(7-6-12-25-24)20-13-21(26-14-18-10-8-17(4)9-11-18)23-22(28-20)15-27-29(23)16(2)3/h6-13,15-16H,5,14H2,1-4H3,(H,26,28)
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n/an/a 380n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278995
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-N-[(1-methylpyr...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(ncc2n1)C(C)C
Show InChI InChI=1S/C21H25N7O/c1-5-29-21-16(7-6-8-22-21)17-9-18(23-10-15-11-24-27(4)13-15)20-19(26-17)12-25-28(20)14(2)3/h6-9,11-14H,5,10H2,1-4H3,(H,23,26)
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n/an/a 56n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278996
PNG
(5-(2-ethoxy-3-pyridyl)-1-ethyl-N-[(1-methylpyrazol...)
Show SMILES CCOc1ccncc1-c1cc(NCc2cnn(C)c2)c2n(CC)ncc2n1
Show InChI InChI=1S/C20H23N7O/c1-4-27-20-17(22-9-14-10-23-26(3)13-14)8-16(25-18(20)12-24-27)15-11-21-7-6-19(15)28-5-2/h6-8,10-13H,4-5,9H2,1-3H3,(H,22,25)
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n/an/a 140n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278997
PNG
(5-(2-ethoxy-3-pyridyl)-3-methyl-N-[(1-methylpyrazo...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(nc(C)c2n1)C1COC1
Show InChI InChI=1S/C22H25N7O2/c1-4-31-22-17(6-5-7-23-22)18-8-19(24-9-15-10-25-28(3)11-15)21-20(26-18)14(2)27-29(21)16-12-30-13-16/h5-8,10-11,16H,4,9,12-13H2,1-3H3,(H,24,26)
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n/an/a 94n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278998
PNG
(5-(2-ethoxy-3-pyridyl)-1,3-dimethyl-N-[(1-methylpy...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnn(C)c2)c2n(C)nc(C)c2n1
Show InChI InChI=1S/C20H23N7O/c1-5-28-20-15(7-6-8-21-20)16-9-17(22-10-14-11-23-26(3)12-14)19-18(24-16)13(2)25-27(19)4/h6-9,11-12H,5,10H2,1-4H3,(H,22,24)
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UniChem
US Patent
n/an/a 550n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM278999
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(4-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nc(C)cs2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-16(8-7-9-23-22)17-10-18(24-11-19-25-14(4)12-30-19)21-20(26-17)15(5)27-28(21)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,24,26)
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UniChem
US Patent
n/an/a 27n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279000
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(3-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nc(C)no2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7O2/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-24-14(5)27-30-18)20-19(25-16)13(4)26-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,25)
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UniChem
US Patent
n/an/a 15n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279001
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(1-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ncn(C)n2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H26N8O/c1-6-30-21-15(8-7-9-22-21)16-10-17(23-11-18-24-12-28(5)27-18)20-19(25-16)14(4)26-29(20)13(2)3/h7-10,12-13H,6,11H2,1-5H3,(H,23,25)
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UniChem
US Patent
n/an/a 1.20n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279002
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(2-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cnc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C22H26N6OS/c1-6-29-22-17(8-7-9-23-22)18-10-19(25-12-16-11-24-15(5)30-16)21-20(26-18)14(4)27-28(21)13(2)3/h7-11,13H,6,12H2,1-5H3,(H,25,26)
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UniChem
US Patent
n/an/a 4.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279003
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2nnc(C)s2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C21H25N7OS/c1-6-29-21-15(8-7-9-22-21)16-10-17(23-11-18-26-25-14(5)30-18)20-19(24-16)13(4)27-28(20)12(2)3/h7-10,12H,6,11H2,1-5H3,(H,23,24)
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UniChem
US Patent
n/an/a 1.60n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279004
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(5-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2csc(C)c2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H27N5OS/c1-6-29-23-18(8-7-9-24-23)19-11-20(25-12-17-10-15(4)30-13-17)22-21(26-19)16(5)27-28(22)14(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,25,26)
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UniChem
US Patent
n/an/a 8.10n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

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


(Homo sapiens (Human))
BDBM279005
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(4-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2cc(C)cs2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C23H27N5OS/c1-6-29-23-18(8-7-9-24-23)19-11-20(25-12-17-10-15(4)13-30-17)22-21(26-19)16(5)27-28(22)14(2)3/h7-11,13-14H,6,12H2,1-5H3,(H,25,26)
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UniChem
US Patent
n/an/a 7.30n/an/an/an/a7.625



H. Lundbeck A/S

US Patent


Assay Description
PDE1A, PDE1B and PDE1C assays were performed as follows: the assays was performed in 60 μL samples containing a fixed amount of the PDE1 enzyme ...


US Patent US10034861 (2018)

More data for this
Ligand-Target Pair
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