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Patent code US9434733

Compile Data Set for Download or QSAR
Found 75 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/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247218
PNG
(US9434733, methyl 5-[[3-methyl-4-(4-oxo-7-tetrahyd...)
Show SMILES COC(=O)c1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)s1
Show InChI InChI=1S/C22H27N5O4S/c1-13-10-26(11-15-3-4-18(32-15)22(29)30-2)12-16(13)19-24-21(28)17-9-23-20(27(17)25-19)14-5-7-31-8-6-14/h3-4,9,13-14,16H,5-8,10-12H2,1-2H3,(H,24,25,28)
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US Patent
n/an/a 8n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247206
PNG
(US9434733, 2-[[3-[(4-fluorophenyl)methoxy]azetidin...)
Show SMILES Fc1ccc(COC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C21H24FN5O3/c22-16-3-1-14(2-4-16)13-30-17-10-26(11-17)12-19-24-21(28)18-9-23-20(27(18)25-19)15-5-7-29-8-6-15/h1-4,9,15,17H,5-8,10-13H2,(H,24,25,28)
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n/an/a 10n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247177
PNG
(US9434733, 2-[4-methyl-1-[[4-(trifluoromethyl)phen...)
Show SMILES CC1CN(Cc2ccc(cc2)C(F)(F)F)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H26F3N5O2/c1-14-11-30(12-15-2-4-17(5-3-15)23(24,25)26)13-18(14)20-28-22(32)19-10-27-21(31(19)29-20)16-6-8-33-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,28,29,32)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247192
PNG
(US9434733, 2-[1-[[4-(diethylamino)phenyl]methyl]-4...)
Show SMILES CCN(CC)c1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)cc1
Show InChI InChI=1S/C26H36N6O2/c1-4-31(5-2)21-8-6-19(7-9-21)16-30-15-18(3)22(17-30)24-28-26(33)23-14-27-25(32(23)29-24)20-10-12-34-13-11-20/h6-9,14,18,20,22H,4-5,10-13,15-17H2,1-3H3,(H,28,29,33)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247225
PNG
(US9434733, 2-[1-[(5-chloro-2-thienyl)methyl]-4-met...)
Show SMILES CC1CN(Cc2ccc(Cl)s2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H24ClN5O2S/c1-12-9-25(10-14-2-3-17(21)29-14)11-15(12)18-23-20(27)16-8-22-19(26(16)24-18)13-4-6-28-7-5-13/h2-3,8,12-13,15H,4-7,9-11H2,1H3,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247183
PNG
(US9434733, 2-[4-methyl-1-[[4-(trifluoromethoxy)phe...)
Show SMILES CC1CN(Cc2ccc(OC(F)(F)F)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H26F3N5O3/c1-14-11-30(12-15-2-4-17(5-3-15)34-23(24,25)26)13-18(14)20-28-22(32)19-10-27-21(31(19)29-20)16-6-8-33-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,28,29,32)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247195
PNG
(US9434733, 2-[1-[(2-chloro-4-fluoro-phenyl)methyl]...)
Show SMILES CC1CN(Cc2ccc(F)cc2Cl)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H25ClFN5O2/c1-13-10-28(11-15-2-3-16(24)8-18(15)23)12-17(13)20-26-22(30)19-9-25-21(29(19)27-20)14-4-6-31-7-5-14/h2-3,8-9,13-14,17H,4-7,10-12H2,1H3,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247222
PNG
(US9434733, 2-[(1R)-1-[3-(4-methoxyphenyl)azetidin-...)
Show SMILES COc1ccc(cc1)C1CN(C1)[C@H](C)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H27N5O3/c1-14(26-12-17(13-26)15-3-5-18(29-2)6-4-15)20-24-22(28)19-11-23-21(27(19)25-20)16-7-9-30-10-8-16/h3-6,11,14,16-17H,7-10,12-13H2,1-2H3,(H,24,25,28)/t14-/m1/s1
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247224
PNG
(US9434733, 2-[4-methyl-1-[(5-methyl-2-thienyl)meth...)
Show SMILES CC1CN(Cc2ccc(C)s2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H27N5O2S/c1-13-10-25(11-16-4-3-14(2)29-16)12-17(13)19-23-21(27)18-9-22-20(26(18)24-19)15-5-7-28-8-6-15/h3-4,9,13,15,17H,5-8,10-12H2,1-2H3,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247215
PNG
(US9434733, 2-[1-[(3,4-difluorophenyl)methyl]-4-met...)
Show SMILES CC1CN(Cc2ccc(F)c(F)c2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H25F2N5O2/c1-13-10-28(11-14-2-3-17(23)18(24)8-14)12-16(13)20-26-22(30)19-9-25-21(29(19)27-20)15-4-6-31-7-5-15/h2-3,8-9,13,15-16H,4-7,10-12H2,1H3,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247186
PNG
(US9434733, 2-[4-methyl-1-(quinoxalin-6-ylmethyl)py...)
Show SMILES CC1CN(Cc2ccc3nccnc3c2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C24H27N7O2/c1-15-12-30(13-16-2-3-19-20(10-16)26-7-6-25-19)14-18(15)22-28-24(32)21-11-27-23(31(21)29-22)17-4-8-33-9-5-17/h2-3,6-7,10-11,15,17-18H,4-5,8-9,12-14H2,1H3,(H,28,29,32)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247193
PNG
(US9434733, 2-[1-(2-furylmethyl)-4-methyl-pyrrolidi...)
Show SMILES CC1CN(Cc2ccco2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H25N5O3/c1-13-10-24(11-15-3-2-6-28-15)12-16(13)18-22-20(26)17-9-21-19(25(17)23-18)14-4-7-27-8-5-14/h2-3,6,9,13-14,16H,4-5,7-8,10-12H2,1H3,(H,22,23,26)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247213
PNG
(US9434733, 2-[1-[(5-fluoro-3-pyridyl)methyl]-4-met...)
Show SMILES CC1CN(Cc2cncc(F)c2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H25FN6O2/c1-13-10-27(11-14-6-16(22)8-23-7-14)12-17(13)19-25-21(29)18-9-24-20(28(18)26-19)15-2-4-30-5-3-15/h6-9,13,15,17H,2-5,10-12H2,1H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247196
PNG
(US9434733, 2-[1-[(4-dimethylaminophenyl)methyl]-4-...)
Show SMILES CC1CN(Cc2ccc(cc2)N(C)C)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C24H32N6O2/c1-16-13-29(14-17-4-6-19(7-5-17)28(2)3)15-20(16)22-26-24(31)21-12-25-23(30(21)27-22)18-8-10-32-11-9-18/h4-7,12,16,18,20H,8-11,13-15H2,1-3H3,(H,26,27,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247208
PNG
(US9434733, 2-[4-methyl-1-[(5-methyl-2-furyl)methyl...)
Show SMILES CC1CN(Cc2ccc(C)o2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H27N5O3/c1-13-10-25(11-16-4-3-14(2)29-16)12-17(13)19-23-21(27)18-9-22-20(26(18)24-19)15-5-7-28-8-6-15/h3-4,9,13,15,17H,5-8,10-12H2,1-2H3,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247216
PNG
(US9434733, 2-[1-[(4-chlorophenyl)methyl]-4-methyl-...)
Show SMILES CC1CN(Cc2ccc(Cl)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H26ClN5O2/c1-14-11-27(12-15-2-4-17(23)5-3-15)13-18(14)20-25-22(29)19-10-24-21(28(19)26-20)16-6-8-30-9-7-16/h2-5,10,14,16,18H,6-9,11-13H2,1H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247217
PNG
(US9434733, 2-[1-[[6-(dimethylamino)-3-pyridyl]meth...)
Show SMILES CC1CN(Cc2ccc(nc2)N(C)C)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H31N7O2/c1-15-12-29(13-16-4-5-20(24-10-16)28(2)3)14-18(15)21-26-23(31)19-11-25-22(30(19)27-21)17-6-8-32-9-7-17/h4-5,10-11,15,17-18H,6-9,12-14H2,1-3H3,(H,26,27,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247203
PNG
(US9434733, 2-[4-methyl-1-(3-pyridylmethyl)pyrrolid...)
Show SMILES CC1CN(Cc2cccnc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-3-2-6-22-9-15)13-17(14)19-24-21(28)18-10-23-20(27(18)25-19)16-4-7-29-8-5-16/h2-3,6,9-10,14,16-17H,4-5,7-8,11-13H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247185
PNG
(US9434733, 2-[1-[(2-chloro-4-methoxy-phenyl)methyl...)
Show SMILES COc1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)c(Cl)c1
Show InChI InChI=1S/C23H28ClN5O3/c1-14-11-28(12-16-3-4-17(31-2)9-19(16)24)13-18(14)21-26-23(30)20-10-25-22(29(20)27-21)15-5-7-32-8-6-15/h3-4,9-10,14-15,18H,5-8,11-13H2,1-2H3,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247221
PNG
(US9434733, 2-[(3R,4R)-1-[(2,4-difluorophenyl)methy...)
Show SMILES C[C@H]1CN(Cc2ccc(F)cc2F)C[C@@H]1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H25F2N5O2/c1-13-10-28(11-15-2-3-16(23)8-18(15)24)12-17(13)20-26-22(30)19-9-25-21(29(19)27-20)14-4-6-31-7-5-14/h2-3,8-9,13-14,17H,4-7,10-12H2,1H3,(H,26,27,30)/t13-,17-/m0/s1
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247207
PNG
(US9434733, 2-[1-[3-(4-methoxyphenyl)azetidin-1-yl]...)
Show SMILES COc1ccc(cc1)C1CN(C1)C(C)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H27N5O3/c1-14(26-12-17(13-26)15-3-5-18(29-2)6-4-15)20-24-22(28)19-11-23-21(27(19)25-20)16-7-9-30-10-8-16/h3-6,11,14,16-17H,7-10,12-13H2,1-2H3,(H,24,25,28)
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n/an/a 47n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247197
PNG
(US9434733, 2-[4-methyl-1-(p-tolylmethyl)pyrrolidin...)
Show SMILES CC1CN(Cc2ccc(C)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H29N5O2/c1-15-3-5-17(6-4-15)13-27-12-16(2)19(14-27)21-25-23(29)20-11-24-22(28(20)26-21)18-7-9-30-10-8-18/h3-6,11,16,18-19H,7-10,12-14H2,1-2H3,(H,25,26,29)
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n/an/a 47n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247181
PNG
(US9434733, 2-[1-[(2,4-difluorophenyl)methyl]-4-met...)
Show SMILES CC1CN(Cc2ccc(F)cc2F)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H25F2N5O2/c1-13-10-28(11-15-2-3-16(23)8-18(15)24)12-17(13)20-26-22(30)19-9-25-21(29(19)27-20)14-4-6-31-7-5-14/h2-3,8-9,13-14,17H,4-7,10-12H2,1H3,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247188
PNG
(US9434733, 2-[1-[(4-methoxyphenyl)methyl]-4-methyl...)
Show SMILES COc1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)cc1
Show InChI InChI=1S/C23H29N5O3/c1-15-12-27(13-16-3-5-18(30-2)6-4-16)14-19(15)21-25-23(29)20-11-24-22(28(20)26-21)17-7-9-31-10-8-17/h3-6,11,15,17,19H,7-10,12-14H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247236
PNG
(US9434733, 2-[1-benzyl-4-(trifluoromethyl)pyrrolid...)
Show SMILES FC(F)(F)C1CN(Cc2ccccc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H24F3N5O2/c23-22(24,25)17-13-29(11-14-4-2-1-3-5-14)12-16(17)19-27-21(31)18-10-26-20(30(18)28-19)15-6-8-32-9-7-15/h1-5,10,15-17H,6-9,11-13H2,(H,27,28,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247189
PNG
(US9434733, 2-[4-methyl-1-(4-pyridylmethyl)pyrrolid...)
Show SMILES CC1CN(Cc2ccncc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H26N6O2/c1-14-11-26(12-15-2-6-22-7-3-15)13-17(14)19-24-21(28)18-10-23-20(27(18)25-19)16-4-8-29-9-5-16/h2-3,6-7,10,14,16-17H,4-5,8-9,11-13H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247227
PNG
(US9434733, 2-(1-benzyl-4-methoxy-pyrrolidin-3-yl)-...)
Show SMILES COC1CN(Cc2ccccc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H27N5O3/c1-29-19-14-26(12-15-5-3-2-4-6-15)13-17(19)20-24-22(28)18-11-23-21(27(18)25-20)16-7-9-30-10-8-16/h2-6,11,16-17,19H,7-10,12-14H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247223
PNG
(US9434733, 2-[1-[3-(4-fluorophenoxy)azetidin-1-yl]...)
Show SMILES CC(N1CC(C1)Oc1ccc(F)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H24FN5O3/c1-13(26-11-17(12-26)30-16-4-2-15(22)3-5-16)19-24-21(28)18-10-23-20(27(18)25-19)14-6-8-29-9-7-14/h2-5,10,13-14,17H,6-9,11-12H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247226
PNG
(US9434733, 2-[4-methyl-1-[(4-pyrrolidin-1-ylphenyl...)
Show SMILES CC1CN(Cc2ccc(cc2)N2CCCC2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C26H34N6O2/c1-18-15-30(16-19-4-6-21(7-5-19)31-10-2-3-11-31)17-22(18)24-28-26(33)23-14-27-25(32(23)29-24)20-8-12-34-13-9-20/h4-7,14,18,20,22H,2-3,8-13,15-17H2,1H3,(H,28,29,33)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247204
PNG
(US9434733, 2-[1-[(2,6-difluorophenyl)methyl]-4-met...)
Show SMILES CC1CN(Cc2c(F)cccc2F)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H25F2N5O2/c1-13-10-28(12-16-17(23)3-2-4-18(16)24)11-15(13)20-26-22(30)19-9-25-21(29(19)27-20)14-5-7-31-8-6-14/h2-4,9,13-15H,5-8,10-12H2,1H3,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247209
PNG
(US9434733, 2-[1-[(5-chloro-2-furyl)methyl]-4-methy...)
Show SMILES CC1CN(Cc2ccc(Cl)o2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H24ClN5O3/c1-12-9-25(10-14-2-3-17(21)29-14)11-15(12)18-23-20(27)16-8-22-19(26(16)24-18)13-4-6-28-7-5-13/h2-3,8,12-13,15H,4-7,9-11H2,1H3,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247176
PNG
(US9434733, 2-[1-[(6-methoxy-3-pyridyl)methyl]-4-me...)
Show SMILES COc1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)cn1
Show InChI InChI=1S/C22H28N6O3/c1-14-11-27(12-15-3-4-19(30-2)23-9-15)13-17(14)20-25-22(29)18-10-24-21(28(18)26-20)16-5-7-31-8-6-16/h3-4,9-10,14,16-17H,5-8,11-13H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247244
PNG
(US9434733, 2-[1-[3-[(4-methoxyphenyl)methyl]azetid...)
Show SMILES COc1ccc(CC2CN(C2)C(C)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)cc1
Show InChI InChI=1S/C23H29N5O3/c1-15(27-13-17(14-27)11-16-3-5-19(30-2)6-4-16)21-25-23(29)20-12-24-22(28(20)26-21)18-7-9-31-10-8-18/h3-6,12,15,17-18H,7-11,13-14H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247190
PNG
(US9434733, 2-[[3-(4-fluorophenoxy)azetidin-1-yl]me...)
Show SMILES Fc1ccc(OC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C20H22FN5O3/c21-14-1-3-15(4-2-14)29-16-10-25(11-16)12-18-23-20(27)17-9-22-19(26(17)24-18)13-5-7-28-8-6-13/h1-4,9,13,16H,5-8,10-12H2,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247233
PNG
(2-[[3-[(4-methoxyphenoxy)methyl]azetidin-1-yl]meth...)
Show SMILES COc1ccc(OCC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C22H27N5O4/c1-29-17-2-4-18(5-3-17)31-14-15-11-26(12-15)13-20-24-22(28)19-10-23-21(27(19)25-20)16-6-8-30-9-7-16/h2-5,10,15-16H,6-9,11-14H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247233
PNG
(2-[[3-[(4-methoxyphenoxy)methyl]azetidin-1-yl]meth...)
Show SMILES COc1ccc(OCC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C22H27N5O4/c1-29-17-2-4-18(5-3-17)31-14-15-11-26(12-15)13-20-24-22(28)19-10-23-21(27(19)25-20)16-6-8-30-9-7-16/h2-5,10,15-16H,6-9,11-14H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247239
PNG
(US9434733, 2-[4-methoxy-1-[(4-methoxyphenyl)methyl...)
Show SMILES COC1CN(Cc2ccc(OC)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H29N5O4/c1-30-17-5-3-15(4-6-17)12-27-13-18(20(14-27)31-2)21-25-23(29)19-11-24-22(28(19)26-21)16-7-9-32-10-8-16/h3-6,11,16,18,20H,7-10,12-14H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247238
PNG
(US9434733, 2-[1-[3-(4-dimethylaminophenyl)azetidin...)
Show SMILES CC(N1CC(C1)c1ccc(cc1)N(C)C)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H30N6O2/c1-15(28-13-18(14-28)16-4-6-19(7-5-16)27(2)3)21-25-23(30)20-12-24-22(29(20)26-21)17-8-10-31-11-9-17/h4-7,12,15,17-18H,8-11,13-14H2,1-3H3,(H,25,26,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247175
PNG
(US9434733, 7-(4-fluorophenyl)-2-[4-methyl-1-[[6-(t...)
Show SMILES CC1CN(Cc2ccc(nc2)C(F)(F)F)CC1c1nn2c(ncc2c(=O)[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C23H20F4N6O/c1-13-10-32(11-14-2-7-19(28-8-14)23(25,26)27)12-17(13)20-30-22(34)18-9-29-21(33(18)31-20)15-3-5-16(24)6-4-15/h2-9,13,17H,10-12H2,1H3,(H,30,31,34)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247202
PNG
(US9434733, 2-[[3-(4-dimethylaminophenyl)azetidin-1...)
Show SMILES CN(C)c1ccc(cc1)C1CN(Cc2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)C1
Show InChI InChI=1S/C22H28N6O2/c1-26(2)18-5-3-15(4-6-18)17-12-27(13-17)14-20-24-22(29)19-11-23-21(28(19)25-20)16-7-9-30-10-8-16/h3-6,11,16-17H,7-10,12-14H2,1-2H3,(H,24,25,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247230
PNG
(US9434733, 2-[4-methoxy-1-(p-tolylmethyl)pyrrolidi...)
Show SMILES COC1CN(Cc2ccc(C)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H29N5O3/c1-15-3-5-16(6-4-15)12-27-13-18(20(14-27)30-2)21-25-23(29)19-11-24-22(28(19)26-21)17-7-9-31-10-8-17/h3-6,11,17-18,20H,7-10,12-14H2,1-2H3,(H,25,26,29)
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n/an/a 90n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247212
PNG
(US9434733, 2-[[3-(4-methylphenoxy)azetidin-1-yl]me...)
Show SMILES Cc1ccc(OC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C21H25N5O3/c1-14-2-4-16(5-3-14)29-17-11-25(12-17)13-19-23-21(27)18-10-22-20(26(18)24-19)15-6-8-28-9-7-15/h2-5,10,15,17H,6-9,11-13H2,1H3,(H,23,24,27)
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n/an/a 91n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247229
PNG
(US9434733, 2-[1-[(4-fluorophenyl)methyl]-4-methoxy...)
Show SMILES COC1CN(Cc2ccc(F)cc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H26FN5O3/c1-30-19-13-27(11-14-2-4-16(23)5-3-14)12-17(19)20-25-22(29)18-10-24-21(28(18)26-20)15-6-8-31-9-7-15/h2-5,10,15,17,19H,6-9,11-13H2,1H3,(H,25,26,29)
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n/an/a 94n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247235
PNG
(2-[1-[3-(4-pyrrolidin-1-ylphenyl)azetidin-1-yl]eth...)
Show SMILES CC(N1CC(C1)c1ccc(cc1)N1CCCC1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C25H32N6O2/c1-17(30-15-20(16-30)18-4-6-21(7-5-18)29-10-2-3-11-29)23-27-25(32)22-14-26-24(31(22)28-23)19-8-12-33-13-9-19/h4-7,14,17,19-20H,2-3,8-13,15-16H2,1H3,(H,27,28,32)
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n/an/a 110n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247235
PNG
(2-[1-[3-(4-pyrrolidin-1-ylphenyl)azetidin-1-yl]eth...)
Show SMILES CC(N1CC(C1)c1ccc(cc1)N1CCCC1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C25H32N6O2/c1-17(30-15-20(16-30)18-4-6-21(7-5-18)29-10-2-3-11-29)23-27-25(32)22-14-26-24(31(22)28-23)19-8-12-33-13-9-19/h4-7,14,17,19-20H,2-3,8-13,15-16H2,1H3,(H,27,28,32)
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n/an/a 110n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247232
PNG
(US9434733, 2-[1-[3-(4-methylphenoxy)azetidin-1-yl]...)
Show SMILES CC(N1CC(C1)Oc1ccc(C)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H27N5O3/c1-14-3-5-17(6-4-14)30-18-12-26(13-18)15(2)20-24-22(28)19-11-23-21(27(19)25-20)16-7-9-29-10-8-16/h3-6,11,15-16,18H,7-10,12-13H2,1-2H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247232
PNG
(US9434733, 2-[1-[3-(4-methylphenoxy)azetidin-1-yl]...)
Show SMILES CC(N1CC(C1)Oc1ccc(C)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H27N5O3/c1-14-3-5-17(6-4-14)30-18-12-26(13-18)15(2)20-24-22(28)19-11-23-21(27(19)25-20)16-7-9-29-10-8-16/h3-6,11,15-16,18H,7-10,12-13H2,1-2H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247228
PNG
(US9434733, 2-[1-[3-(4-hydroxyphenyl)azetidin-1-yl]...)
Show SMILES CC(N1CC(C1)c1ccc(O)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H25N5O3/c1-13(25-11-16(12-25)14-2-4-17(27)5-3-14)19-23-21(28)18-10-22-20(26(18)24-19)15-6-8-29-9-7-15/h2-5,10,13,15-16,27H,6-9,11-12H2,1H3,(H,23,24,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247237
PNG
(US9434733, 2-[[3-(5-pyrrolidin-1-ylpyrimidin-2-yl)...)
Show SMILES O=c1[nH]c(CN2CC(C2)c2ncc(cn2)N2CCCC2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C22H28N8O2/c31-22-18-11-25-21(15-3-7-32-8-4-15)30(18)27-19(26-22)14-28-12-16(13-28)20-23-9-17(10-24-20)29-5-1-2-6-29/h9-11,15-16H,1-8,12-14H2,(H,26,27,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247210
PNG
(US9434733, 2-[1-[3-(4-fluorophenyl)azetidin-1-yl]e...)
Show SMILES CC(N1CC(C1)c1ccc(F)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H24FN5O2/c1-13(26-11-16(12-26)14-2-4-17(22)5-3-14)19-24-21(28)18-10-23-20(27(18)25-19)15-6-8-29-9-7-15/h2-5,10,13,15-16H,6-9,11-12H2,1H3,(H,24,25,28)
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n/an/a 128n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247214
PNG
(US9434733, 2-[[3-(4-isopropylphenoxy)azetidin-1-yl...)
Show SMILES CC(C)c1ccc(OC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C23H29N5O3/c1-15(2)16-3-5-18(6-4-16)31-19-12-27(13-19)14-21-25-23(29)20-11-24-22(28(20)26-21)17-7-9-30-10-8-17/h3-6,11,15,17,19H,7-10,12-14H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247191
PNG
(US9434733, 2-[4-methyl-1-(pyrimidin-5-ylmethyl)pyr...)
Show SMILES CC1CN(Cc2cncnc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C20H25N7O2/c1-13-9-26(10-14-6-21-12-22-7-14)11-16(13)18-24-20(28)17-8-23-19(27(17)25-18)15-2-4-29-5-3-15/h6-8,12-13,15-16H,2-5,9-11H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247231
PNG
(US9434733, 2-[[3-(p-tolylmethoxy)azetidin-1-yl]met...)
Show SMILES Cc1ccc(COC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C22H27N5O3/c1-15-2-4-16(5-3-15)14-30-18-11-26(12-18)13-20-24-22(28)19-10-23-21(27(19)25-20)17-6-8-29-9-7-17/h2-5,10,17-18H,6-9,11-14H2,1H3,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247205
PNG
(US9434733, 2-[(3-phenoxyazetidin-1-yl)methyl]-7-te...)
Show SMILES O=c1[nH]c(CN2CC(C2)Oc2ccccc2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C20H23N5O3/c26-20-17-10-21-19(14-6-8-27-9-7-14)25(17)23-18(22-20)13-24-11-16(12-24)28-15-4-2-1-3-5-15/h1-5,10,14,16H,6-9,11-13H2,(H,22,23,26)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247199
PNG
(US9434733, 2-[[3-(2,6-difluorophenoxy)azetidin-1-y...)
Show SMILES Fc1cccc(F)c1OC1CN(Cc2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)C1
Show InChI InChI=1S/C20H21F2N5O3/c21-14-2-1-3-15(22)18(14)30-13-9-26(10-13)11-17-24-20(28)16-8-23-19(27(16)25-17)12-4-6-29-7-5-12/h1-3,8,12-13H,4-7,9-11H2,(H,24,25,28)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247201
PNG
(US9434733, 7-tetrahydropyran-4-yl-2-[[3-[4-(triflu...)
Show SMILES FC(F)(F)Oc1ccc(OC2CN(Cc3nn4c(ncc4c(=O)[nH]3)C3CCOCC3)C2)cc1
Show InChI InChI=1S/C21H22F3N5O4/c22-21(23,24)33-15-3-1-14(2-4-15)32-16-10-28(11-16)12-18-26-20(30)17-9-25-19(29(17)27-18)13-5-7-31-8-6-13/h1-4,9,13,16H,5-8,10-12H2,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247182
PNG
(US9434733, 2-(1-benzyl-4-methyl-pyrrolidin-3-yl)-7...)
Show SMILES CC1CN(Cc2ccccc2)CC1c1nn2c(ncc2c(=O)[nH]1)-c1ccc(F)cc1F
Show InChI InChI=1S/C23H21F2N5O/c1-14-11-29(12-15-5-3-2-4-6-15)13-18(14)21-27-23(31)20-10-26-22(30(20)28-21)17-8-7-16(24)9-19(17)25/h2-10,14,18H,11-13H2,1H3,(H,27,28,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247211
PNG
(US9434733, 2-[(3-phenylazetidin-1-yl)methyl]-7-tet...)
Show SMILES O=c1[nH]c(CN2CC(C2)c2ccccc2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C20H23N5O2/c26-20-17-10-21-19(15-6-8-27-9-7-15)25(17)23-18(22-20)13-24-11-16(12-24)14-4-2-1-3-5-14/h1-5,10,15-16H,6-9,11-13H2,(H,22,23,26)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247245
PNG
(US9434733, 7-tetrahydropyran-4-yl-2-[1-[3-[4-(trif...)
Show SMILES CC(N1CC(C1)c1ccc(OC(F)(F)F)cc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H24F3N5O3/c1-13(29-11-16(12-29)14-2-4-17(5-3-14)33-22(23,24)25)19-27-21(31)18-10-26-20(30(18)28-19)15-6-8-32-9-7-15/h2-5,10,13,15-16H,6-9,11-12H2,1H3,(H,27,28,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247241
PNG
(US9434733, 2-[1-[3-(3-fluoro-4-methoxy-phenyl)azet...)
Show SMILES COc1ccc(cc1F)C1CN(C1)C(C)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H26FN5O3/c1-13(27-11-16(12-27)15-3-4-19(30-2)17(23)9-15)20-25-22(29)18-10-24-21(28(18)26-20)14-5-7-31-8-6-14/h3-4,9-10,13-14,16H,5-8,11-12H2,1-2H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247178
PNG
(US9434733, 2-(1-benzyl-4-methyl-pyrrolidin-3-yl)-7...)
Show SMILES CC1CN(Cc2ccccc2)CC1c1nn2c(ncc2c(=O)[nH]1)C1=CCOCC1
Show InChI InChI=1S/C22H25N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-18(15)20-24-22(28)19-11-23-21(27(19)25-20)17-7-9-29-10-8-17/h2-7,11,15,18H,8-10,12-14H2,1H3,(H,24,25,28)
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n/an/a 281n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247243
PNG
(US9434733, 2-[1-[3-(4-ethoxyphenyl)azetidin-1-yl]e...)
Show SMILES CCOc1ccc(cc1)C1CN(C1)C(C)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C23H29N5O3/c1-3-31-19-6-4-16(5-7-19)18-13-27(14-18)15(2)21-25-23(29)20-12-24-22(28(20)26-21)17-8-10-30-11-9-17/h4-7,12,15,17-18H,3,8-11,13-14H2,1-2H3,(H,25,26,29)
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n/an/a 290n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247242
PNG
(US9434733, 2-[1-[3-(2-fluoro-4-methoxy-phenyl)azet...)
Show SMILES COc1ccc(C2CN(C2)C(C)c2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)c(F)c1
Show InChI InChI=1S/C22H26FN5O3/c1-13(27-11-15(12-27)17-4-3-16(30-2)9-18(17)23)20-25-22(29)19-10-24-21(28(19)26-20)14-5-7-31-8-6-14/h3-4,9-10,13-15H,5-8,11-12H2,1-2H3,(H,25,26,29)
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n/an/a 300n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM212761
PNG
(2-[[3-(4-methoxyphenyl)azetidin-1-yl]methyl]-7-tet...)
Show SMILES COc1ccc(cc1)C1CN(Cc2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)C1
Show InChI InChI=1S/C21H25N5O3/c1-28-17-4-2-14(3-5-17)16-11-25(12-16)13-19-23-21(27)18-10-22-20(26(18)24-19)15-6-8-29-9-7-15/h2-5,10,15-16H,6-9,11-13H2,1H3,(H,23,24,27)
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n/an/a 327n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247194
PNG
(US9434733, 7-(4-fluorophenyl)-2-[(3S,4S)-4-methyl-...)
Show SMILES C[C@@H]1CN(Cc2ncccn2)C[C@H]1c1nn2c(ncc2c(=O)[nH]1)-c1ccc(F)cc1
Show InChI InChI=1S/C21H20FN7O/c1-13-10-28(12-18-23-7-2-8-24-18)11-16(13)19-26-21(30)17-9-25-20(29(17)27-19)14-3-5-15(22)6-4-14/h2-9,13,16H,10-12H2,1H3,(H,26,27,30)/t13-,16-/m1/s1
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n/an/a 341n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247220
PNG
(US9434733, 2-[[3-(3-pyridyloxy)azetidin-1-yl]methy...)
Show SMILES O=c1[nH]c(CN2CC(C2)Oc2cccnc2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C19H22N6O3/c26-19-16-9-21-18(13-3-6-27-7-4-13)25(16)23-17(22-19)12-24-10-15(11-24)28-14-2-1-5-20-8-14/h1-2,5,8-9,13,15H,3-4,6-7,10-12H2,(H,22,23,26)
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n/an/a 350n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247240
PNG
(US9434733, 2-[1-(3-phenylazetidin-1-yl)ethyl]-7-te...)
Show SMILES CC(N1CC(C1)c1ccccc1)c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C21H25N5O2/c1-14(25-12-17(13-25)15-5-3-2-4-6-15)19-23-21(27)18-11-22-20(26(18)24-19)16-7-9-28-10-8-16/h2-6,11,14,16-17H,7-10,12-13H2,1H3,(H,23,24,27)
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n/an/a 360n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247179
PNG
(US9434733, 7-(4-fluorophenyl)-2-[1-[(6-methoxy-3-p...)
Show SMILES COc1ccc(CN2CC(C)C(C2)c2nn3c(ncc3c(=O)[nH]2)-c2ccc(F)cc2)cn1
Show InChI InChI=1S/C23H23FN6O2/c1-14-11-29(12-15-3-8-20(32-2)25-9-15)13-18(14)21-27-23(31)19-10-26-22(30(19)28-21)16-4-6-17(24)7-5-16/h3-10,14,18H,11-13H2,1-2H3,(H,27,28,31)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247198
PNG
(US9434733, 2-(benzyloxymethyl)-7-tetrahydropyran-4...)
Show SMILES O=c1[nH]c(COCc2ccccc2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C18H20N4O3/c23-18-15-10-19-17(14-6-8-24-9-7-14)22(15)21-16(20-18)12-25-11-13-4-2-1-3-5-13/h1-5,10,14H,6-9,11-12H2,(H,20,21,23)
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n/an/a 384n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247200
PNG
(US9434733, 2-[1-(cyclohexylmethyl)-4-methyl-pyrrol...)
Show SMILES CC1CN(CC2CCCCC2)CC1c1nn2c(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1S/C22H33N5O2/c1-15-12-26(13-16-5-3-2-4-6-16)14-18(15)20-24-22(28)19-11-23-21(27(19)25-20)17-7-9-29-10-8-17/h11,15-18H,2-10,12-14H2,1H3,(H,24,25,28)
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n/an/a 409n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247219
PNG
(US9434733, 7-tetrahydropyran-4-yl-2-[[3-[5-(triflu...)
Show SMILES FC(F)(F)c1ccc(nc1)C1CN(Cc2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)C1
Show InChI InChI=1S/C20H21F3N6O2/c21-20(22,23)14-1-2-15(24-7-14)13-9-28(10-13)11-17-26-19(30)16-8-25-18(29(16)27-17)12-3-5-31-6-4-12/h1-2,7-8,12-13H,3-6,9-11H2,(H,26,27,30)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247187
PNG
(US9434733, 2-[[3-(4-fluorophenyl)azetidin-1-yl]met...)
Show SMILES Fc1ccc(cc1)C1CN(Cc2nn3c(ncc3c(=O)[nH]2)C2CCOCC2)C1
Show InChI InChI=1S/C20H22FN5O2/c21-16-3-1-13(2-4-16)15-10-25(11-15)12-18-23-20(27)17-9-22-19(26(17)24-18)14-5-7-28-8-6-14/h1-4,9,14-15H,5-8,10-12H2,(H,23,24,27)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247180
PNG
(US9434733, 2-(1-benzyl-4-methyl-pyrrolidin-3-yl)-7...)
Show SMILES CC1CN(Cc2ccccc2)CC1c1nn2c(ncc2c(=O)[nH]1)-c1cccnc1
Show InChI InChI=1S/C22H22N6O/c1-15-12-27(13-16-6-3-2-4-7-16)14-18(15)20-25-22(29)19-11-24-21(28(19)26-20)17-8-5-9-23-10-17/h2-11,15,18H,12-14H2,1H3,(H,25,26,29)
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H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247234
PNG
(2-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7-tetrah...)
Show SMILES O=c1[nH]c(CN2CC(C2)c2ncccn2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c26-18-14-8-21-17(12-2-6-27-7-3-12)25(14)23-15(22-18)11-24-9-13(10-24)16-19-4-1-5-20-16/h1,4-5,8,12-13H,2-3,6-7,9-11H2,(H,22,23,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


Citation and Details
More data for this
Ligand-Target Pair
Phosphodiesterase 9A


(Homo sapiens (human))
BDBM247234
PNG
(2-[(3-pyrimidin-2-ylazetidin-1-yl)methyl]-7-tetrah...)
Show SMILES O=c1[nH]c(CN2CC(C2)c2ncccn2)nn2c(ncc12)C1CCOCC1
Show InChI InChI=1S/C18H21N7O2/c26-18-14-8-21-17(12-2-6-27-7-3-12)25(14)23-15(22-18)11-24-9-13(10-24)16-19-4-1-5-20-16/h1,4-5,8,12-13H,2-3,6-7,9-11H2,(H,22,23,26)
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n/an/a 3.40E+3n/an/an/an/an/an/a



H. LUNDBECK A/S

US Patent


Assay Description
A PDE9 assay may for example, be performed as follows: The assay is performed in 60 uL samples containing a fixed amount of the relevant PDE enzyme (...


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