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USPatent US9085584

Compile Data Set for Download or QSAR

Found 356 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
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171943
PNG
(US9085584, 113)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)8-7-18(26-22)14-3-4-14)16-11-15(5-6-17(16)24)23(30)9-2-10-31-12-23/h5-8,11,14,30H,2-4,9-10,12H2,1H3
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n/an/a 0.200n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171910
PNG
(US9085584, 69)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H24ClN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3
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n/an/a 1n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171839
PNG
(US9085584, 9)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C1CC1
Show InChI InChI=1S/C18H14ClN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171929
PNG
(US9085584, 88)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171932
PNG
(US9085584, 91)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22ClN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171935
PNG
(US9085584, 94)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOCC1)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171838
PNG
(US9085584, 8)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(O)ccc4F)n3c2n1
Show InChI InChI=1S/C18H16FN5O/c1-9(2)14-6-7-15-18(21-14)24-16(10(3)20-15)22-23-17(24)12-8-11(25)4-5-13(12)19/h4-9,25H,1-3H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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n/an/a 2n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171909
PNG
(US9085584, 68)
Show SMILES Cc1ccc(CCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C24H27N5O/c1-14-5-6-16(11-12-24(3,4)30)13-18(14)22-28-27-21-15(2)25-20-10-9-19(17-7-8-17)26-23(20)29(21)22/h5-6,9-10,13,17,30H,7-8,11-12H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171933
PNG
(US9085584, 92)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4F)C4(O)CCC4)n3c2n1
Show InChI InChI=1S/C22H22FN5O/c1-12(2)17-7-8-18-21(25-17)28-19(13(3)24-18)26-27-20(28)15-11-14(5-6-16(15)23)22(29)9-4-10-22/h5-8,11-12,29H,4,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171835
PNG
(US9085584, 5)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1F)C1CC1
Show InChI InChI=1S/C18H14FN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171863
PNG
(US9085584, 32)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OC5CCOCC5)ccc4Cl)n3c2n1
Show InChI InChI=1S/C21H20ClN5O2/c1-12-3-6-18-21(23-12)27-19(13(2)24-18)25-26-20(27)16-11-15(4-5-17(16)22)29-14-7-9-28-10-8-14/h3-6,11,14H,7-10H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171891
PNG
(US9085584, 57 | US9085584, 57a | US9085584, 57b)
Show SMILES Cc1ccc(OC2COCC2O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C23H23N5O3/c1-12-3-6-15(31-20-11-30-10-19(20)29)9-16(12)22-27-26-21-13(2)24-18-8-7-17(14-4-5-14)25-23(18)28(21)22/h3,6-9,14,19-20,29H,4-5,10-11H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171959
PNG
(US9085584, 103)
Show SMILES Cc1ccc(cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1)C1(O)CCOCC1
Show InChI InChI=1S/C24H25N5O2/c1-14-3-6-17(24(30)9-11-31-12-10-24)13-18(14)22-28-27-21-15(2)25-20-8-7-19(16-4-5-16)26-23(20)29(21)22/h3,6-8,13,16,30H,4-5,9-12H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171868
PNG
(US9085584, 35a)
Show SMILES C[C@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(nc3n12)C1CC1 |r|
Show InChI InChI=1S/C21H20ClN5O2/c1-11(28)10-29-14-5-6-16(22)15(9-14)20-26-25-19-12(2)23-18-8-7-17(13-3-4-13)24-21(18)27(19)20/h5-9,11,13,28H,3-4,10H2,1-2H3/t11-/m0/s1
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171837
PNG
(US9085584, 7)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(O)ccc4C)n3c2n1
Show InChI InChI=1S/C19H19N5O/c1-10(2)15-7-8-16-19(21-15)24-17(12(4)20-16)22-23-18(24)14-9-13(25)6-5-11(14)3/h5-10,25H,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171832
PNG
(US9085584, 2)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(O)ccc4Cl)n3c2n1
Show InChI InChI=1S/C16H12ClN5O/c1-8-3-6-13-16(18-8)22-14(9(2)19-13)20-21-15(22)11-7-10(23)4-5-12(11)17/h3-7,23H,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171836
PNG
(US9085584, 6)
Show SMILES Cc1ccc(O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C19H17N5O/c1-10-3-6-13(25)9-14(10)18-23-22-17-11(2)20-16-8-7-15(12-4-5-12)21-19(16)24(17)18/h3,6-9,12,25H,4-5H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171907
PNG
(US9085584, 66)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CCC(C)(C)O)ccc1F)C1CC1
Show InChI InChI=1S/C23H24FN5O/c1-13-20-27-28-21(16-12-14(4-7-17(16)24)10-11-23(2,3)30)29(20)22-19(25-13)9-8-18(26-22)15-5-6-15/h4,7-9,12,15,30H,5-6,10-11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171865
PNG
(US9085584, 33)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCOC(F)(F)F)ccc4Cl)n3c2n1
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-4-7-16-19(25-11)29-17(12(2)26-16)27-28-18(29)14-10-13(5-6-15(14)21)30-8-3-9-31-20(22,23)24/h4-7,10H,3,8-9H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171918
PNG
(US9085584, 77)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(ccc4Cl)C(C)(C)O)n3c2n1
Show InChI InChI=1S/C21H22ClN5O/c1-11(2)16-8-9-17-20(24-16)27-18(12(3)23-17)25-26-19(27)14-10-13(21(4,5)28)6-7-15(14)22/h6-11,28H,1-5H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171832
PNG
(US9085584, 2)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(O)ccc4Cl)n3c2n1
Show InChI InChI=1S/C16H12ClN5O/c1-8-3-6-13-16(18-8)22-14(9(2)19-13)20-21-15(22)11-7-10(23)4-5-12(11)17/h3-7,23H,1-2H3
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n/an/a 4n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171858
PNG
(US9085584, 27)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCO)ccc4Cl)n3c2n1
Show InChI InChI=1S/C19H18ClN5O2/c1-11-4-7-16-19(21-11)25-17(12(2)22-16)23-24-18(25)14-10-13(5-6-15(14)20)27-9-3-8-26/h4-7,10,26H,3,8-9H2,1-2H3
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n/an/a 4n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171941
PNG
(US9085584, 97 | US9085584, 97a | US9085584, 97b)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-19-26-27-20(15-10-14(4-5-16(15)23)22(29)8-9-30-11-22)28(19)21-18(24-12)7-6-17(25-21)13-2-3-13/h4-7,10,13,29H,2-3,8-9,11H2,1H3
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n/an/a 4n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171941
PNG
(US9085584, 97 | US9085584, 97a | US9085584, 97b)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-19-26-27-20(15-10-14(4-5-16(15)23)22(29)8-9-30-11-22)28(19)21-18(24-12)7-6-17(25-21)13-2-3-13/h4-7,10,13,29H,2-3,8-9,11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171902
PNG
(US9085584, 61)
Show SMILES CCCC(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O/c1-4-5-17(27)13-7-8-15(21)14(10-13)19-25-24-18-12(3)23-16-9-6-11(2)22-20(16)26(18)19/h6-10,17,27H,4-5H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171924
PNG
(US9085584, 83)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(CC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H22ClN5O/c1-12-19-26-27-20(15-10-13(4-7-16(15)23)11-22(2,3)29)28(19)21-18(24-12)9-8-17(25-21)14-5-6-14/h4,7-10,14,29H,5-6,11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171979
PNG
(US9085584, 109a | US9085584, 109d)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H22ClN5O3/c1-12-21-27-28-22(29(21)23-18(25-12)7-6-17(26-23)13-2-3-13)15-10-14(4-5-16(15)24)32-20-11-31-9-8-19(20)30/h4-7,10,13,19-20,30H,2-3,8-9,11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171941
PNG
(US9085584, 97 | US9085584, 97a | US9085584, 97b)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCOC1)C1CC1
Show InChI InChI=1S/C22H20ClN5O2/c1-12-19-26-27-20(15-10-14(4-5-16(15)23)22(29)8-9-30-11-22)28(19)21-18(24-12)7-6-17(25-21)13-2-3-13/h4-7,10,13,29H,2-3,8-9,11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171936
PNG
(US9085584, 95)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1F)C1(O)CCOCC1)C1CC1
Show InChI InChI=1S/C23H22FN5O2/c1-13-20-27-28-21(29(20)22-19(25-13)7-6-18(26-22)14-2-3-14)16-12-15(4-5-17(16)24)23(30)8-10-31-11-9-23/h4-7,12,14,30H,2-3,8-11H2,1H3
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n/an/a 5n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171879
PNG
(US11419874, Example 7 | US9085584, 45)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OCC(C)(C)O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H22ClN5O2/c1-12-19-26-27-20(15-10-14(6-7-16(15)23)30-11-22(2,3)29)28(19)21-18(24-12)9-8-17(25-21)13-4-5-13/h6-10,13,29H,4-5,11H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171865
PNG
(US9085584, 33)
Show SMILES Cc1ccc2nc(C)c3nnc(-c4cc(OCCCOC(F)(F)F)ccc4Cl)n3c2n1
Show InChI InChI=1S/C20H17ClF3N5O2/c1-11-4-7-16-19(25-11)29-17(12(2)26-16)27-28-18(29)14-10-13(5-6-15(14)21)30-8-3-9-31-20(22,23)24/h4-7,10H,3,8-9H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM171835
PNG
(US9085584, 5)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1F)C1CC1
Show InChI InChI=1S/C18H14FN5O/c1-9-16-22-23-17(12-8-11(25)4-5-13(12)19)24(16)18-15(20-9)7-6-14(21-18)10-2-3-10/h4-8,10,25H,2-3H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171925
PNG
(US9085584, 84)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1F)C1(O)CCC1)C1CC1
Show InChI InChI=1S/C22H20FN5O/c1-12-19-26-27-20(15-11-14(5-6-16(15)23)22(29)9-2-10-22)28(19)21-18(24-12)8-7-17(25-21)13-3-4-13/h5-8,11,13,29H,2-4,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171926
PNG
(US9085584, 85)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C(C)(C)O)C1CC1
Show InChI InChI=1S/C21H20ClN5O/c1-11-18-25-26-19(14-10-13(21(2,3)28)6-7-15(14)22)27(18)20-17(23-11)9-8-16(24-20)12-4-5-12/h6-10,12,28H,4-5H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171891
PNG
(US9085584, 57 | US9085584, 57a | US9085584, 57b)
Show SMILES Cc1ccc(OC2COCC2O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C23H23N5O3/c1-12-3-6-15(31-20-11-30-10-19(20)29)9-16(12)22-27-26-21-13(2)24-18-8-7-17(14-4-5-14)25-23(18)28(21)22/h3,6-9,14,19-20,29H,4-5,10-11H2,1-2H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171864
PNG
(US9085584, 32a)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2CCOCC2)ccc1Cl)C1CC1
Show InChI InChI=1S/C23H22ClN5O2/c1-13-21-27-28-22(29(21)23-20(25-13)7-6-19(26-23)14-2-3-14)17-12-16(4-5-18(17)24)31-15-8-10-30-11-9-15/h4-7,12,14-15H,2-3,8-11H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171922
PNG
(US9085584, 81)
Show SMILES Cc1ccc(CC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C23H25N5O/c1-13-5-6-15(12-23(3,4)29)11-17(13)21-27-26-20-14(2)24-19-10-9-18(16-7-8-16)25-22(19)28(20)21/h5-6,9-11,16,29H,7-8,12H2,1-4H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171969
PNG
(US9085584, 107)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1F)C1CC1
Show InChI InChI=1S/C22H20FN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171862
PNG
(US9085584, 31)
Show SMILES COCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O2/c1-12-5-8-17-20(22-12)26-18(13(2)23-17)24-25-19(26)15-11-14(6-7-16(15)21)28-10-4-9-27-3/h5-8,11H,4,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171862
PNG
(US9085584, 31)
Show SMILES COCCCOc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O2/c1-12-5-8-17-20(22-12)26-18(13(2)23-17)24-25-19(26)15-11-14(6-7-16(15)21)28-10-4-9-27-3/h5-8,11H,4,9-10H2,1-3H3
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Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))		BDBM171838
PNG
(US9085584, 8)
Show SMILES CC(C)c1ccc2nc(C)c3nnc(-c4cc(O)ccc4F)n3c2n1
Show InChI InChI=1S/C18H16FN5O/c1-9(2)14-6-7-15-18(21-14)24-16(10(3)20-15)22-23-17(24)12-8-11(25)4-5-13(12)19/h4-9,25H,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171985
PNG
(US9085584, 59)
Show SMILES CC(C)C(O)c1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12
Show InChI InChI=1S/C20H20ClN5O/c1-10(2)17(27)13-6-7-15(21)14(9-13)19-25-24-18-12(4)23-16-8-5-11(3)22-20(16)26(18)19/h5-10,17,27H,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171881
PNG
(US9085584, 47)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OCC(C)(C)O)ccc1F)C1CC1
Show InChI InChI=1S/C22H22FN5O2/c1-12-19-26-27-20(15-10-14(6-7-16(15)23)30-11-22(2,3)29)28(19)21-18(24-12)9-8-17(25-21)13-4-5-13/h6-10,13,29H,4-5,11H2,1-3H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171882
PNG
(US9085584, 48)
Show SMILES Cc1ccc(OCC(C)(C)O)cc1-c1nnc2c(C)nc3ccc(nc3n12)C1CC1
Show InChI InChI=1S/C23H25N5O2/c1-13-5-8-16(30-12-23(3,4)29)11-17(13)21-27-26-20-14(2)24-19-10-9-18(15-6-7-15)25-22(19)28(20)21/h5,8-11,15,29H,6-7,12H2,1-4H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171890
PNG
(US9085584, 56 | US9085584, 56a | US9085584, 56b | ...)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(OC2COCC2O)ccc1Cl)C1CC1
Show InChI InChI=1S/C22H20ClN5O3/c1-11-20-26-27-21(28(20)22-17(24-11)7-6-16(25-22)12-2-3-12)14-8-13(4-5-15(14)23)31-19-10-30-9-18(19)29/h4-8,12,18-19,29H,2-3,9-10H2,1H3
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n/an/a 8n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171867
PNG
(US9085584, 35)
Show SMILES C[C@@H](O)COc1ccc(Cl)c(c1)-c1nnc2c(C)nc3ccc(C)nc3n12 |r|
Show InChI InChI=1S/C19H18ClN5O2/c1-10-4-7-16-19(21-10)25-17(12(3)22-16)23-24-18(25)14-8-13(5-6-15(14)20)27-9-11(2)26/h4-8,11,26H,9H2,1-3H3/t11-/m1/s1
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n/an/a 9n/an/an/an/an/a25



Boehringer Ingelheim International GmbH

US Patent


Assay Description
For all experiments the Phosphodiesterase [3H]cAMP SPA Enzyme Assay (TRKQ7090, GE Healthcare Europe GmbH) were used. The enzymatic activity of the PD...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171842
PNG
(US9085584, 12)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(O)ccc1Cl)C(F)(F)F
Show InChI InChI=1S/C16H9ClF3N5O/c1-7-13-23-24-14(9-6-8(26)2-3-10(9)17)25(13)15-11(21-7)4-5-12(22-15)16(18,19)20/h2-6,26H,1H3
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
cGMP-dependent 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))		BDBM171944
PNG
(US9085584, 114 | US9085584, 114a | US9085584, 114b)
Show SMILES Cc1nc2ccc(nc2n2c(nnc12)-c1cc(ccc1Cl)C1(O)CCCOC1)C(F)(F)F
Show InChI InChI=1S/C21H17ClF3N5O2/c1-11-17-28-29-18(30(17)19-15(26-11)5-6-16(27-19)21(23,24)25)13-9-12(3-4-14(13)22)20(31)7-2-8-32-10-20/h3-6,9,31H,2,7-8,10H2,1H3
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n/an/a 9n/an/an/an/an/an/a



Boehringer Ingelheim International GmbH

US Patent


Assay Description
The inhibition of PDE 2A or 10 enzyme activity was assessed using IMAP-Phosphodiesterase-cAMP fluorescence labeled substrate (Molecular Devices, Orde...

US Patent US9085584 (2015)


BindingDB Entry DOI: 10.7270/Q27P8X54
More data for this
Ligand-Target Pair
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* indicates data uncertainty>20%