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Patent code US10858362

Compile Data Set for Download or QSAR

Found 311 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474194
PNG
(3-(6-chloro-2,3-dihydro-1H- inden-1-yl)-7-(4-metho...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-15-13-28-22(24(29)27(15)14-16-3-8-19(30-2)9-4-16)12-26-23(28)20-10-6-17-5-7-18(25)11-21(17)20/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474173
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (2-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@@H]2CCO[C@H]2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-13-11-23-18(10-21-19(23)17-8-9-26-14(17)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,17H,8-9,12H2,1-3H3/t14-,17+/m0/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474194
PNG
(3-(6-chloro-2,3-dihydro-1H- inden-1-yl)-7-(4-metho...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-15-13-28-22(24(29)27(15)14-16-3-8-19(30-2)9-4-16)12-26-23(28)20-10-6-17-5-7-18(25)11-21(17)20/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474185
PNG
(6-methyl-7-(((trans)-4- methylcyclohexyl)methyl)-3...)
Show SMILES CC1CCC(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)CC1
Show InChI InChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474194
PNG
(3-(6-chloro-2,3-dihydro-1H- inden-1-yl)-7-(4-metho...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCc3ccc(Cl)cc23)cc1
Show InChI InChI=1S/C24H22ClN3O2/c1-15-13-28-22(24(29)27(15)14-16-3-8-19(30-2)9-4-16)12-26-23(28)20-10-6-17-5-7-18(25)11-21(17)20/h3-5,7-9,11-13,20H,6,10,14H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474162
PNG
(6-ethyl-7-(4-methoxybenzyl)-3- (tetrahydro-2H-pyra...)
Show SMILES CCc1cn2c(ncc2c(=O)n1Cc1ccc(OC)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25N3O3/c1-3-17-14-24-19(12-22-20(24)16-8-10-27-11-9-16)21(25)23(17)13-15-4-6-18(26-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474184
PNG
(7-(cycloheptylmethyl)-6-methyl-3- (tetrahydro-2H-p...)
Show SMILES Cc1cn2c(ncc2c(=O)n1CC1CCCCCC1)C1CCOCC1
Show InChI InChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474184
PNG
(7-(cycloheptylmethyl)-6-methyl-3- (tetrahydro-2H-p...)
Show SMILES Cc1cn2c(ncc2c(=O)n1CC1CCCCCC1)C1CCOCC1
Show InChI InChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474185
PNG
(6-methyl-7-(((trans)-4- methylcyclohexyl)methyl)-3...)
Show SMILES CC1CCC(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)CC1
Show InChI InChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474110
PNG
(6-Benzyl-7-(cyclohexylmethyl)-3- (tetrahydro-2H-py...)
Show SMILES O=c1n(CC2CCCCC2)c(Cc2ccccc2)cn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C25H31N3O2/c29-25-23-16-26-24(21-11-13-30-14-12-21)28(23)18-22(15-19-7-3-1-4-8-19)27(25)17-20-9-5-2-6-10-20/h1,3-4,7-8,16,18,20-21H,2,5-6,9-15,17H2
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474185
PNG
(6-methyl-7-(((trans)-4- methylcyclohexyl)methyl)-3...)
Show SMILES CC1CCC(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)CC1
Show InChI InChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474197
PNG
(3-isopropyl-7-(4-methoxybenzyl)- 6-methylimidazo[1...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C(C)C)cc1
Show InChI InChI=1S/C18H21N3O2/c1-12(2)17-19-9-16-18(22)20(13(3)10-21(16)17)11-14-5-7-15(23-4)8-6-14/h5-10,12H,11H2,1-4H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474143
PNG
(7-(3-fluorobenzyl)-6-methyl-3-(1- methylcyclopropy...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1cccc(F)c1)C1(C)CC1
Show InChI InChI=1S/C18H18FN3O/c1-12-10-22-15(9-20-17(22)18(2)6-7-18)16(23)21(12)11-13-4-3-5-14(19)8-13/h3-5,8-10H,6-7,11H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474111
PNG
(7-(Cyclohexylmethyl)-6-methyl-3- (tetrahydro-2H-py...)
Show SMILES Cc1cn2c(ncc2c(=O)n1CC1CCCCC1)C1CCOCC1
Show InChI InChI=1S/C19H27N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474151
PNG
(7-(3-fluorobenzyl)-6-methyl-3-(2- methyltetrahydro...)
Show SMILES C[C@@H]1OCC[C@H]1c1ncc2n1cc(C)n(Cc1cccc(F)c1)c2=O
Show InChI InChI=1S/C19H20FN3O2/c1-12-10-23-17(9-21-18(23)16-6-7-25-13(16)2)19(24)22(12)11-14-4-3-5-15(20)8-14/h3-5,8-10,13,16H,6-7,11H2,1-2H3/t13-,16+/m0/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474189
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (3-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2C)cc1
Show InChI InChI=1S/C21H25N3O3/c1-14-13-27-9-8-18(14)20-22-10-19-21(25)23(15(2)11-24(19)20)12-16-4-6-17(26-3)7-5-16/h4-7,10-11,14,18H,8-9,12-13H2,1-3H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474110
PNG
(6-Benzyl-7-(cyclohexylmethyl)-3- (tetrahydro-2H-py...)
Show SMILES O=c1n(CC2CCCCC2)c(Cc2ccccc2)cn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C25H31N3O2/c29-25-23-16-26-24(21-11-13-30-14-12-21)28(23)18-22(15-19-7-3-1-4-8-19)27(25)17-20-9-5-2-6-10-20/h1,3-4,7-8,16,18,20-21H,2,5-6,9-15,17H2
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474125
PNG
(7-(3-Chlorobenzyl)-6-methyl-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1cccc(Cl)c1)C1CCOCC1
Show InChI InChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)15-5-7-25-8-6-15)19(24)22(13)12-14-3-2-4-16(20)9-14/h2-4,9-11,15H,5-8,12H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474147
PNG
(7-(3-fluorobenzyl)-6-methyl-3-(2- methylcyclopropy...)
Show SMILES C[C@H]1C[C@@H]1c1ncc2n1cc(C)n(Cc1cccc(F)c1)c2=O
Show InChI InChI=1S/C18H18FN3O/c1-11-6-15(11)17-20-8-16-18(23)21(12(2)9-22(16)17)10-13-4-3-5-14(19)7-13/h3-5,7-9,11,15H,6,10H2,1-2H3/t11-,15-/m0/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474173
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (2-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@@H]2CCO[C@H]2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-13-11-23-18(10-21-19(23)17-8-9-26-14(17)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,17H,8-9,12H2,1-3H3/t14-,17+/m0/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474132
PNG
(6-Methyl-7-(3-methylbenzyl)-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cccc(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)c1
Show InChI InChI=1S/C20H23N3O2/c1-14-4-3-5-16(10-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-6-8-25-9-7-17/h3-5,10-12,17H,6-9,13H2,1-2H3
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n/an/a 9n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474124
PNG
(7-(2-Fluorobenzyl)-6-methyl-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccccc1F)C1CCOCC1
Show InChI InChI=1S/C19H20FN3O2/c1-13-11-23-17(10-21-18(23)14-6-8-25-9-7-14)19(24)22(13)12-15-4-2-3-5-16(15)20/h2-5,10-11,14H,6-9,12H2,1H3
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n/an/a 9n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474161
PNG
(7-benzyl-6-ethyl-3-(tetrahydro- 2H-pyran-4-yl)imid...)
Show SMILES CCc1cn2c(ncc2c(=O)n1Cc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C20H23N3O2/c1-2-17-14-23-18(12-21-19(23)16-8-10-25-11-9-16)20(24)22(17)13-15-6-4-3-5-7-15/h3-7,12,14,16H,2,8-11,13H2,1H3
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n/an/a 9n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474172
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (2-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@@H]2CCO[C@@H]2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-13-11-23-18(10-21-19(23)17-8-9-26-14(17)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,17H,8-9,12H2,1-3H3/t14-,17-/m1/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474126
PNG
(7-(2-Chlorobenzyl)-6-methyl-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccccc1Cl)C1CCOCC1
Show InChI InChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)14-6-8-25-9-7-14)19(24)22(13)12-15-4-2-3-5-16(15)20/h2-5,10-11,14H,6-9,12H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474184
PNG
(7-(cycloheptylmethyl)-6-methyl-3- (tetrahydro-2H-p...)
Show SMILES Cc1cn2c(ncc2c(=O)n1CC1CCCCCC1)C1CCOCC1
Show InChI InChI=1S/C20H29N3O2/c1-15-13-23-18(12-21-19(23)17-8-10-25-11-9-17)20(24)22(15)14-16-6-4-2-3-5-7-16/h12-13,16-17H,2-11,14H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474185
PNG
(6-methyl-7-(((trans)-4- methylcyclohexyl)methyl)-3...)
Show SMILES CC1CCC(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)CC1
Show InChI InChI=1S/C20H29N3O2/c1-14-3-5-16(6-4-14)13-22-15(2)12-23-18(20(22)24)11-21-19(23)17-7-9-25-10-8-17/h11-12,14,16-17H,3-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474109
PNG
(6-Benzyl-7-(3-fluorobenzyl)-3- (tetrahydro-2H-pyra...)
Show SMILES Fc1cccc(Cn2c(Cc3ccccc3)cn3c(ncc3c2=O)C2CCOCC2)c1
Show InChI InChI=1S/C25H24FN3O2/c26-21-8-4-7-19(13-21)16-28-22(14-18-5-2-1-3-6-18)17-29-23(25(28)30)15-27-24(29)20-9-11-31-12-10-20/h1-8,13,15,17,20H,9-12,14,16H2
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474212
PNG
(6-(cyclopentylmethyl)-7-(4- methoxybenzyl)-3-(tetr...)
Show SMILES COc1ccc(Cn2c(CC3CCCC3)cn3c(ncc3c2=O)C2CCOCC2)cc1
Show InChI InChI=1S/C25H31N3O3/c1-30-22-8-6-19(7-9-22)16-27-21(14-18-4-2-3-5-18)17-28-23(25(27)29)15-26-24(28)20-10-12-31-13-11-20/h6-9,15,17-18,20H,2-5,10-14,16H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474111
PNG
(7-(Cyclohexylmethyl)-6-methyl-3- (tetrahydro-2H-py...)
Show SMILES Cc1cn2c(ncc2c(=O)n1CC1CCCCC1)C1CCOCC1
Show InChI InChI=1S/C19H27N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h11-12,15-16H,2-10,13H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474130
PNG
(7-(4-Methoxybenzyl)-6-methyl-3- (tetrahydro-2H-pyr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-14-12-23-18(11-21-19(23)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h3-6,11-12,16H,7-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474171
PNG
(6-ethyl-7-(3-fluorobenzyl)-3- (tetrahydro-2H-pyran...)
Show SMILES CCc1cn2c(ncc2c(=O)n1Cc1cccc(F)c1)C1CCOCC1
Show InChI InChI=1S/C20H22FN3O2/c1-2-17-13-24-18(11-22-19(24)15-6-8-26-9-7-15)20(25)23(17)12-14-4-3-5-16(21)10-14/h3-5,10-11,13,15H,2,6-9,12H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474192
PNG
((R)-7-(4-methoxybenzyl)-6- methyl-3-(1- phenylethy...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@H](C)c2ccccc2)cc1
Show InChI InChI=1S/C23H23N3O2/c1-16-14-26-21(13-24-22(26)17(2)19-7-5-4-6-8-19)23(27)25(16)15-18-9-11-20(28-3)12-10-18/h4-14,17H,15H2,1-3H3/t17-/m1/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474123
PNG
(7-Benzyl-6-methyl-3-(tetrahydro- 2H-pyran-4-yl)imi...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccccc1)C1CCOCC1
Show InChI InChI=1S/C19H21N3O2/c1-14-12-22-17(11-20-18(22)16-7-9-24-10-8-16)19(23)21(14)13-15-5-3-2-4-6-15/h2-6,11-12,16H,7-10,13H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474110
PNG
(6-Benzyl-7-(cyclohexylmethyl)-3- (tetrahydro-2H-py...)
Show SMILES O=c1n(CC2CCCCC2)c(Cc2ccccc2)cn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C25H31N3O2/c29-25-23-16-26-24(21-11-13-30-14-12-21)28(23)18-22(15-19-7-3-1-4-8-19)27(25)17-20-9-5-2-6-10-20/h1,3-4,7-8,16,18,20-21H,2,5-6,9-15,17H2
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474189
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (3-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2C)cc1
Show InChI InChI=1S/C21H25N3O3/c1-14-13-27-9-8-18(14)20-22-10-19-21(25)23(15(2)11-24(19)20)12-16-4-6-17(26-3)7-5-16/h4-7,10-11,14,18H,8-9,12-13H2,1-3H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474173
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (2-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@@H]2CCO[C@H]2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-13-11-23-18(10-21-19(23)17-8-9-26-14(17)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,17H,8-9,12H2,1-3H3/t14-,17+/m0/s1
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474197
PNG
(3-isopropyl-7-(4-methoxybenzyl)- 6-methylimidazo[1...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C(C)C)cc1
Show InChI InChI=1S/C18H21N3O2/c1-12(2)17-19-9-16-18(22)20(13(3)10-21(16)17)11-14-5-7-15(23-4)8-6-14/h5-10,12H,11H2,1-4H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474109
PNG
(6-Benzyl-7-(3-fluorobenzyl)-3- (tetrahydro-2H-pyra...)
Show SMILES Fc1cccc(Cn2c(Cc3ccccc3)cn3c(ncc3c2=O)C2CCOCC2)c1
Show InChI InChI=1S/C25H24FN3O2/c26-21-8-4-7-19(13-21)16-28-22(14-18-5-2-1-3-6-18)17-29-23(25(28)30)15-27-24(29)20-9-11-31-12-10-20/h1-8,13,15,17,20H,9-12,14,16H2
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474112
PNG
(7-(3-Fluorobenzyl)-6-methyl-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1cccc(F)c1)C1CCOCC1
Show InChI InChI=1S/C19H20FN3O2/c1-13-11-23-17(10-21-18(23)15-5-7-25-8-6-15)19(24)22(13)12-14-3-2-4-16(20)9-14/h2-4,9-11,15H,5-8,12H2,1H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic phosphodiesterase 1A


(Homo sapiens (Human))
BDBM474130
PNG
(7-(4-Methoxybenzyl)-6-methyl-3- (tetrahydro-2H-pyr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C2CCOCC2)cc1
Show InChI InChI=1S/C20H23N3O3/c1-14-12-23-18(11-21-19(23)16-7-9-26-10-8-16)20(24)22(14)13-15-3-5-17(25-2)6-4-15/h3-6,11-12,16H,7-10,13H2,1-2H3
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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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474121
PNG
(7-(4-Chlorobenzyl)-6-methyl-3- (tetrahydro-2H-pyra...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccc(Cl)cc1)C1CCOCC1
Show InChI InChI=1S/C19H20ClN3O2/c1-13-11-23-17(10-21-18(23)15-6-8-25-9-7-15)19(24)22(13)12-14-2-4-16(20)5-3-14/h2-5,10-11,15H,6-9,12H2,1H3
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n/an/a 15n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474149
PNG
(7-(3-fluorobenzyl)-6-methyl-3-(2- methyltetrahydro...)
Show SMILES C[C@H]1OCC[C@H]1c1ncc2n1cc(C)n(Cc1cccc(F)c1)c2=O
Show InChI InChI=1S/C19H20FN3O2/c1-12-10-23-17(9-21-18(23)16-6-7-25-13(16)2)19(24)22(12)11-14-4-3-5-15(20)8-14/h3-5,8-10,13,16H,6-7,11H2,1-2H3/t13-,16-/m1/s1
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n/an/a 15n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474122
PNG
(6-Bromo-7-(3-fluorobenzyl)-3- (tetrahydro-2H-pyran...)
Show SMILES Fc1cccc(Cn2c(Br)cn3c(ncc3c2=O)C2CCOCC2)c1
Show InChI InChI=1S/C18H17BrFN3O2/c19-16-11-22-15(9-21-17(22)13-4-6-25-7-5-13)18(24)23(16)10-12-2-1-3-14(20)8-12/h1-3,8-9,11,13H,4-7,10H2
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n/an/a 15n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474210
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (1-(4-methylthiazo...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)C(C)c2nc(C)cs2)cc1
Show InChI InChI=1S/C21H22N4O2S/c1-13-12-28-20(23-13)15(3)19-22-9-18-21(26)24(14(2)10-25(18)19)11-16-5-7-17(27-4)8-6-16/h5-10,12,15H,11H2,1-4H3
PDB
MMDB

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n/an/a 15n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474199
PNG
(6-methyl-3-(tetrahydro-2H-pyran- 4-yl)-7-(thiophen...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccsc1)C1CCOCC1
Show InChI InChI=1S/C17H19N3O2S/c1-12-9-20-15(8-18-16(20)14-2-5-22-6-3-14)17(21)19(12)10-13-4-7-23-11-13/h4,7-9,11,14H,2-3,5-6,10H2,1H3
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n/an/a 15n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1B


(Homo sapiens (Human))
BDBM474167
PNG
(7-(benzo[d][1,3]dioxol-5- ylmethyl)-6-methyl-3-(te...)
Show SMILES Cc1cn2c(ncc2c(=O)n1Cc1ccc2OCOc2c1)C1CCOCC1
Show InChI InChI=1S/C20H21N3O4/c1-13-10-23-16(9-21-19(23)15-4-6-25-7-5-15)20(24)22(13)11-14-2-3-17-18(8-14)27-12-26-17/h2-3,8-10,15H,4-7,11-12H2,1H3
PDB
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n/an/a 16n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474162
PNG
(6-ethyl-7-(4-methoxybenzyl)-3- (tetrahydro-2H-pyra...)
Show SMILES CCc1cn2c(ncc2c(=O)n1Cc1ccc(OC)cc1)C1CCOCC1
Show InChI InChI=1S/C21H25N3O3/c1-3-17-14-24-19(12-22-20(24)16-8-10-27-11-9-16)21(25)23(17)13-15-4-6-18(26-2)7-5-15/h4-7,12,14,16H,3,8-11,13H2,1-2H3
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n/an/a 16n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474119
PNG
(7-(Cycloheptylmethyl)-3- (tetrahydro-2H-pyran-4- y...)
Show SMILES O=c1n(CC2CCCCCC2)ccn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C19H27N3O2/c23-19-17-13-20-18(16-7-11-24-12-8-16)22(17)10-9-21(19)14-15-5-3-1-2-4-6-15/h9-10,13,15-16H,1-8,11-12,14H2
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n/an/a 16n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
Calcium/calmodulin-dependent 3',5'-cyclic nucleotide phosphodiesterase 1C


(Homo sapiens (Human))
BDBM474172
PNG
(7-(4-methoxybenzyl)-6-methyl-3- (2-methyltetrahydr...)
Show SMILES COc1ccc(Cn2c(C)cn3c(ncc3c2=O)[C@@H]2CCO[C@@H]2C)cc1
Show InChI InChI=1S/C20H23N3O3/c1-13-11-23-18(10-21-19(23)17-8-9-26-14(17)2)20(24)22(13)12-15-4-6-16(25-3)7-5-15/h4-7,10-11,14,17H,8-9,12H2,1-3H3/t14-,17-/m1/s1
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n/an/a 17n/an/an/an/an/an/a



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 US10858362 (2020)

More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%