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SMILES: CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C

InChI Key: InChIKey=VEZPCNBBBMUATR-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 21 hits for monomerid = 279056   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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n/an/a 6.30n/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)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10512632 (2019)


BindingDB Entry DOI: 10.7270/Q25T3NVN
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US10766893 (2020)


BindingDB Entry DOI: 10.7270/Q2ZP495P
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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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 US10806718 (2020)


BindingDB Entry DOI: 10.7270/Q27P92FR
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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H. Lundbeck A/S

US Patent


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


US Patent US11026923 (2021)


BindingDB Entry DOI: 10.7270/Q20R9SJ9
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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TBA

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 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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TBA

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 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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TBA

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 ...


Citation and Details

BindingDB Entry DOI: 10.7270/Q2R78K2T
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1A


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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PC cid
PC sid
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n/an/a 0.950n/an/an/an/an/an/a


TBA



Citation and Details

BindingDB Entry DOI: 10.7270/Q26977HV
More data for this
Ligand-Target Pair
Dual specificity calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM279056
PNG
(5-(2-ethoxy-3-pyridyl)-1-isopropyl-3-methyl-N-[(6-...)
Show SMILES CCOc1ncccc1-c1cc(NCc2ccc(C)nc2)c2n(nc(C)c2n1)C(C)C
Show InChI InChI=1S/C24H28N6O/c1-6-31-24-19(8-7-11-25-24)20-12-21(27-14-18-10-9-16(4)26-13-18)23-22(28-20)17(5)29-30(23)15(2)3/h7-13,15H,6,14H2,1-5H3,(H,27,28)
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US Patent
n/an/a 0.950n/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)


BindingDB Entry DOI: 10.7270/Q2X350HN
More data for this
Ligand-Target Pair