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SMILES: COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1

InChI Key: InChIKey=HUQJJAUBVULGLS-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 = 279065   
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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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)


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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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n/an/a 5.30n/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 1A


(Homo sapiens (Human))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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PC cid
PC sid
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n/an/a 3.80n/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))
BDBM279065
PNG
(1-isopropyl-5-(2-methoxy-3-pyridyl)-N-[(6-methoxy-...)
Show SMILES COc1ccc(CNc2cc(nc3c(C)nn(C(C)C)c23)-c2cccnc2OC)cn1
Show InChI InChI=1S/C23H26N6O2/c1-14(2)29-22-19(25-12-16-8-9-20(30-4)26-13-16)11-18(27-21(22)15(3)28-29)17-7-6-10-24-23(17)31-5/h6-11,13-14H,12H2,1-5H3,(H,25,27)
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US Patent
n/an/a 3.80n/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)


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