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Compile Data Set for Download or QSAR

Found 35 hits Enz. Inhib. hit(s) with Target = 'Phosphodiesterase 9A (PDE9A2)' AND taxid = 9606   
Target
(Institution)
LigandTarget
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 (PDE9A2)


(Homo sapiens (Human))
BDBM224803
PNG
(US9328120, 33 (enantiomer 1) | US9328120, 34 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ccccn1
Show InChI InChI=1/C20H21F2N5O/c21-20(22)8-6-12(7-9-20)27-18-15(11-24-27)19(28)26-17(25-18)14-5-4-13(14)16-3-1-2-10-23-16/h1-3,10-14H,4-9H2,(H,25,26,28)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224784
PNG
(US9328120, 14 (enantiomer 1) | US9328120, 15 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ncccn1
Show InChI InChI=1/C19H20F2N6O/c20-19(21)6-4-11(5-7-19)27-17-14(10-24-27)18(28)26-16(25-17)13-3-2-12(13)15-22-8-1-9-23-15/h1,8-13H,2-7H2,(H,25,26,28)
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224772
PNG
(US9328120, 2)
Show SMILES Cc1nc(oc1C)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1/C19H23N5O3/c1-10-11(2)27-19(21-10)14-4-3-13(14)16-22-17-15(18(25)23-16)9-20-24(17)12-5-7-26-8-6-12/h9,12-14H,3-8H2,1-2H3,(H,22,23,25)/t13-,14-/s2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224788
PNG
(US9328120, 18 (enantiomer 1))
Show SMILES Cc1nnc(s1)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N6OS/c1-9-24-25-17(28-9)12-3-2-11(12)14-22-15-13(16(27)23-14)8-21-26(15)10-4-6-18(19,20)7-5-10/h8,10-12H,2-7H2,1H3,(H,22,23,27)/t11-,12-/s2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224786
PNG
(US9328120, 16)
Show SMILES Cc1cnc(nc1)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C20H22F2N6O/c1-11-8-23-16(24-9-11)13-2-3-14(13)17-26-18-15(19(29)27-17)10-25-28(18)12-4-6-20(21,22)7-5-12/h8-10,12-14H,2-7H2,1H3,(H,26,27,29)/t13-,14-/s2
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224802
PNG
(US9328120, 32)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1ccccn1
Show InChI InChI=1/C20H21F2N5O/c21-20(22)8-6-12(7-9-20)27-18-15(11-24-27)19(28)26-17(25-18)14-5-4-13(14)16-3-1-2-10-23-16/h1-3,10-14H,4-9H2,(H,25,26,28)/t13-,14-/s2
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224783
PNG
(US9328120, 13)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)[C@H]1CC[C@@H]1c1ncccn1
Show InChI InChI=1/C19H20F2N6O/c20-19(21)6-4-11(5-7-19)27-17-14(10-24-27)18(28)26-16(25-17)13-3-2-12(13)15-22-8-1-9-23-15/h1,8-13H,2-7H2,(H,25,26,28)/t12-,13-/s2
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n/an/a 7n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224800
PNG
(US9328120, 30 (enantiomer 1) | US9328120, 31 (enan...)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)C1CCC1c1ccccn1
Show InChI InChI=1/C19H21N5O2/c25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224794
PNG
(US9328120, 24 (enantiomer 1) | US9328120, 25 (enan...)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)C1CCC1c1ncccn1
Show InChI InChI=1/C18H20N6O2/c25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224799
PNG
(US9328120, 29)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)[C@@H]1CC[C@H]1c1ccccn1
Show InChI InChI=1/C19H21N5O2/c25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)/t13-,14-/s2
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224797
PNG
(US9328120, 27 (enantiomer 1) | US9328120, 28 (enan...)
Show SMILES Cc1ccncc1-n1ncc2c1nc([nH]c2=O)C1CCC1c1ncccn1
Show InChI InChI=1/C19H17N7O/c1-11-5-8-20-10-15(11)26-18-14(9-23-26)19(27)25-17(24-18)13-4-3-12(13)16-21-6-2-7-22-16/h2,5-10,12-13H,3-4H2,1H3,(H,24,25,27)
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n/an/a 11n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224780
PNG
(US9328120, 10)
Show SMILES Cc1nc(cs1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCOCC1
Show InChI InChI=1/C18H21N5O2S/c1-10-20-15(9-26-10)12-2-3-13(12)16-21-17-14(18(24)22-16)8-19-23(17)11-4-6-25-7-5-11/h8-9,11-13H,2-7H2,1H3,(H,21,22,24)/t12-,13-/s2
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n/an/a 13n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224787
PNG
(US9328120, 17 | US9328120, 19 (enantiomer 2))
Show SMILES Cc1nnc(s1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N6OS/c1-9-24-25-17(28-9)12-3-2-11(12)14-22-15-13(16(27)23-14)8-21-26(15)10-4-6-18(19,20)7-5-10/h8,10-12H,2-7H2,1H3,(H,22,23,27)/t11-,12-/s2
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n/an/a 16n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224779
PNG
(US9328120, 9)
Show SMILES Cc1nc(cs1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C19H21F2N5OS/c1-10-23-15(9-28-10)12-2-3-13(12)16-24-17-14(18(27)25-16)8-22-26(17)11-4-6-19(20,21)7-5-11/h8-9,11-13H,2-7H2,1H3,(H,24,25,27)/t12-,13-/s2
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n/an/a 19n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224792
PNG
(US9328120, 22)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1csc(Cl)n1
Show InChI InChI=1/C18H18ClF2N5OS/c19-17-23-13(8-28-17)10-1-2-11(10)14-24-15-12(16(27)25-14)7-22-26(15)9-3-5-18(20,21)6-4-9/h7-11H,1-6H2,(H,24,25,27)/t10-,11-/s2
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n/an/a 21n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224773
PNG
(US9328120, 3)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)[C@@H]1CC[C@H]1c1ncco1
Show InChI InChI=1/C17H19N5O3/c23-16-13-9-19-22(10-3-6-24-7-4-10)15(13)20-14(21-16)11-1-2-12(11)17-18-5-8-25-17/h5,8-12H,1-4,6-7H2,(H,20,21,23)/t11-,12-/s2
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n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224793
PNG
(US9328120, 23)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)[C@@H]1CC[C@H]1c1ncccn1
Show InChI InChI=1/C18H20N6O2/c25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)/t12-,13-/s2
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n/an/a 23n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224777
PNG
(US9328120, 7)
Show SMILES Cc1coc(n1)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C19H21F2N5O2/c1-10-9-28-18(23-10)13-3-2-12(13)15-24-16-14(17(27)25-15)8-22-26(16)11-4-6-19(20,21)7-5-11/h8-9,11-13H,2-7H2,1H3,(H,24,25,27)/t12-,13-/s2
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n/an/a 31n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224790
PNG
(US9328120, 20)
Show SMILES Cc1nc(sc1C)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)-c1cnccc1C
Show InChI InChI=1/C20H20N6OS/c1-10-6-7-21-9-16(10)26-18-15(8-22-26)19(27)25-17(24-18)13-4-5-14(13)20-23-11(2)12(3)28-20/h6-9,13-14H,4-5H2,1-3H3,(H,24,25,27)/t13-,14-/s2
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224796
PNG
(US9328120, 26)
Show SMILES Cc1ccncc1-n1ncc2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1ncccn1
Show InChI InChI=1/C19H17N7O/c1-11-5-8-20-10-15(11)26-18-14(9-23-26)19(27)25-17(24-18)13-4-3-12(13)16-21-6-2-7-22-16/h2,5-10,12-13H,3-4H2,1H3,(H,24,25,27)/t12-,13-/s2
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n/an/a 32n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224776
PNG
(US9328120, 6)
Show SMILES Cc1cnc(o1)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C19H21F2N5O2/c1-10-8-22-18(28-10)13-3-2-12(13)15-24-16-14(17(27)25-15)9-23-26(16)11-4-6-19(20,21)7-5-11/h8-9,11-13H,2-7H2,1H3,(H,24,25,27)/t12-,13-/s2
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n/an/a 58n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224775
PNG
(US9328120, 5)
Show SMILES Cc1nc(oc1C)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C20H23F2N5O2/c1-10-11(2)29-19(24-10)14-4-3-13(14)16-25-17-15(18(28)26-16)9-23-27(17)12-5-7-20(21,22)8-6-12/h9,12-14H,3-8H2,1-2H3,(H,25,26,28)/t13-,14-/s2
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n/an/a 60n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224782
PNG
(US9328120, 12)
Show SMILES Nc1nc(cs1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N6OS/c19-18(20)5-3-9(4-6-18)26-15-12(7-22-26)16(27)25-14(24-15)11-2-1-10(11)13-8-28-17(21)23-13/h7-11H,1-6H2,(H2,21,23)(H,24,25,27)/t10-,11-/s2
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n/an/a 80n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224778
PNG
(US9328120, 8)
Show SMILES Cc1nc(oc1C)[C@H]1CC[C@@H]1c1nc2n(ncc2c(=O)[nH]1)-c1cnccc1C
Show InChI InChI=1/C20H20N6O2/c1-10-6-7-21-9-16(10)26-18-15(8-22-26)19(27)25-17(24-18)13-4-5-14(13)20-23-11(2)12(3)28-20/h6-9,13-14H,4-5H2,1-3H3,(H,24,25,27)/t13-,14-/s2
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n/an/a 85n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224794
PNG
(US9328120, 24 (enantiomer 1) | US9328120, 25 (enan...)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)C1CCC1c1ncccn1
Show InChI InChI=1/C18H20N6O2/c25-18-14-10-21-24(11-4-8-26-9-5-11)17(14)22-16(23-18)13-3-2-12(13)15-19-6-1-7-20-15/h1,6-7,10-13H,2-5,8-9H2,(H,22,23,25)
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n/an/a 218n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224781
PNG
(US9328120, 11)
Show SMILES CN(C)c1nc(cs1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C20H24F2N6OS/c1-27(2)19-24-15(10-30-19)12-3-4-13(12)16-25-17-14(18(29)26-16)9-23-28(17)11-5-7-20(21,22)8-6-11/h9-13H,3-8H2,1-2H3,(H,25,26,29)/t12-,13-/s2
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n/an/a 233n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224774
PNG
(US9328120, 4)
Show SMILES Cc1nnc(o1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N6O2/c1-9-24-25-17(28-9)12-3-2-11(12)14-22-15-13(16(27)23-14)8-21-26(15)10-4-6-18(19,20)7-5-10/h8,10-12H,2-7H2,1H3,(H,22,23,27)/t11-,12-/s2
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n/an/a 242n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224800
PNG
(US9328120, 30 (enantiomer 1) | US9328120, 31 (enan...)
Show SMILES O=c1[nH]c(nc2n(ncc12)C1CCOCC1)C1CCC1c1ccccn1
Show InChI InChI=1/C19H21N5O2/c25-19-15-11-21-24(12-6-9-26-10-7-12)18(15)22-17(23-19)14-5-4-13(14)16-3-1-2-8-20-16/h1-3,8,11-14H,4-7,9-10H2,(H,22,23,25)
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n/an/a 304n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224797
PNG
(US9328120, 27 (enantiomer 1) | US9328120, 28 (enan...)
Show SMILES Cc1ccncc1-n1ncc2c1nc([nH]c2=O)C1CCC1c1ncccn1
Show InChI InChI=1/C19H17N7O/c1-11-5-8-20-10-15(11)26-18-14(9-23-26)19(27)25-17(24-18)13-4-3-12(13)16-21-6-2-7-22-16/h2,5-10,12-13H,3-4H2,1H3,(H,24,25,27)
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n/an/a 360n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224803
PNG
(US9328120, 33 (enantiomer 1) | US9328120, 34 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ccccn1
Show InChI InChI=1/C20H21F2N5O/c21-20(22)8-6-12(7-9-20)27-18-15(11-24-27)19(28)26-17(25-18)14-5-4-13(14)16-3-1-2-10-23-16/h1-3,10-14H,4-9H2,(H,25,26,28)
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n/an/a 388n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224791
PNG
(US9328120, 21)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)[C@@H]1CC[C@H]1c1nnco1
Show InChI InChI=1/C17H18F2N6O2/c18-17(19)5-3-9(4-6-17)25-14-12(7-21-25)15(26)23-13(22-14)10-1-2-11(10)16-24-20-8-27-16/h7-11H,1-6H2,(H,22,23,26)/t10-,11-/s2
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n/an/a 433n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224771
PNG
(US9328120, 1)
Show SMILES Cc1cc(on1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C19H21F2N5O2/c1-10-8-15(28-25-10)12-2-3-13(12)16-23-17-14(18(27)24-16)9-22-26(17)11-4-6-19(20,21)7-5-11/h8-9,11-13H,2-7H2,1H3,(H,23,24,27)/t12-,13-/s2
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n/an/a 450n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224784
PNG
(US9328120, 14 (enantiomer 1) | US9328120, 15 (enan...)
Show SMILES FC1(F)CCC(CC1)n1ncc2c1nc([nH]c2=O)C1CCC1c1ncccn1
Show InChI InChI=1/C19H20F2N6O/c20-19(21)6-4-11(5-7-19)27-17-14(10-24-27)18(28)26-16(25-17)13-3-2-12(13)15-22-8-1-9-23-15/h1,8-13H,2-7H2,(H,25,26,28)
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n/an/a 473n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM224787
PNG
(US9328120, 17 | US9328120, 19 (enantiomer 2))
Show SMILES Cc1nnc(s1)[C@@H]1CC[C@H]1c1nc2n(ncc2c(=O)[nH]1)C1CCC(F)(F)CC1
Show InChI InChI=1/C18H20F2N6OS/c1-9-24-25-17(28-9)12-3-2-11(12)14-22-15-13(16(27)23-14)8-21-26(15)10-4-6-18(19,20)7-5-10/h8,10-12H,2-7H2,1H3,(H,22,23,27)/t11-,12-/s2
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n/an/a 1.35E+3n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The PDE9A2 enzymatic activity assay was run as scintillation proximity assay (SPA), in general according to the protocol of the manufacturer (GE Heal...


US Patent US9328120 (2016)

More data for this
Ligand-Target Pair
Phosphodiesterase 9A (PDE9A2)


(Homo sapiens (Human))
BDBM253042
PNG
(US9493447, 1001)
Show SMILES CCOC(C(=O)c1ccc(o1)-c1cc(OC)c(Cl)c(OC)c1)c1ccc(cc1)-c1nnc(C)s1
Show InChI InChI=1/C25H23ClN2O5S/c1-5-32-24(15-6-8-16(9-7-15)25-28-27-14(2)34-25)23(29)19-11-10-18(33-19)17-12-20(30-3)22(26)21(13-17)31-4/h6-13,24H,5H2,1-4H3
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n/an/a>1.00E+4n/an/an/an/an/an/a



Omeros Corporation

US Patent


Assay Description
The PDE assay medium consisted of (final concentrations); 50 mM Tris-HCL, pH 7.5; 8.3 mM MgCl2; 1.7 mM EGTA; 0.5 mg/mL bovine serum albumin; and subs...


US Patent US9493447 (2016)

More data for this
Ligand-Target Pair