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Patent code US9023849

Compile Data Set for Download or QSAR
Found 22 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-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157148
PNG
(US9023849, 18)
Show SMILES Cc1ncc2c(nn(Cc3cccc(F)c3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C20H16F2N8O/c1-9-23-7-11-14(16-25-17-15(27-28-16)20(2,3)19(31)26-17)29-30(18(11)24-9)8-10-5-4-6-12(21)13(10)22/h4-7H,8H2,1-3H3,(H,25,26,28,31)
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n/an/a 16n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157153
PNG
(US9023849, 24)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C21H16ClFN6O/c1-21(2)17-19(25-20(21)30)24-18(27-26-17)16-13-8-7-12(22)9-15(13)29(28-16)10-11-5-3-4-6-14(11)23/h3-9H,10H2,1-2H3,(H,24,25,27,30)
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n/an/a 25n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157146
PNG
(US9023849, 16)
Show SMILES Cc1ncc2c(nn(Cc3ccccc3F)c2n1)-c1nnc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C20H17FN8O/c1-10-22-8-12-14(16-24-17-15(26-27-16)20(2,3)19(30)25-17)28-29(18(12)23-10)9-11-6-4-5-7-13(11)21/h4-8H,9H2,1-3H3,(H,24,25,27,30)
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n/an/a 64n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157150
PNG
(US9023849, 21)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
Show InChI InChI=1S/C21H16F2N6O/c1-21(2)17-18(24-19(21)30)25-20(27-26-17)29-16-8-7-12(22)10-13(16)15(28-29)9-11-5-3-4-6-14(11)23/h3-8,10H,9H2,1-2H3,(H,24,25,27,30)
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n/an/a 75n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157141
PNG
(US9023849, 9)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-n1nc(Cc2ccccc2F)c2ncc(F)cc12
Show InChI InChI=1S/C20H15F2N7O/c1-20(2)16-17(24-18(20)30)25-19(27-26-16)29-14-8-11(21)9-23-15(14)13(28-29)7-10-5-3-4-6-12(10)22/h3-6,8-9H,7H2,1-2H3,(H,24,25,27,30)
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n/an/a 85n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157155
PNG
(US9023849, 26)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(CCC(F)(F)C(F)(F)F)c2cc(Cl)ccc12
Show InChI InChI=1S/C18H14ClF5N6O/c1-16(2)12-14(26-15(16)31)25-13(28-27-12)11-9-4-3-8(19)7-10(9)30(29-11)6-5-17(20,21)18(22,23)24/h3-4,7H,5-6H2,1-2H3,(H,25,26,28,31)
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n/an/a 95n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157154
PNG
(US9023849, 25)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ncccc2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C20H15ClFN7O/c1-20(2)16-18(25-19(20)30)24-17(27-26-16)15-11-6-5-10(21)8-14(11)29(28-15)9-13-12(22)4-3-7-23-13/h3-8H,9H2,1-2H3,(H,24,25,27,30)
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n/an/a 160n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157147
PNG
(US9023849, 17)
Show SMILES Cc1ncc2c(nn(Cc3cccc(F)c3F)c2n1)-c1ncc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H17F2N7O/c1-10-24-7-12-16(18-25-8-13-17(27-18)28-20(31)21(13,2)3)29-30(19(12)26-10)9-11-5-4-6-14(22)15(11)23/h4-8H,9H2,1-3H3,(H,25,27,28,31)
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n/an/a 230n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157145
PNG
(US9023849, 15)
Show SMILES Cc1ncc2c(nn(Cc3ccccc3F)c2n1)-c1ncc2c(NC(=O)C2(C)C)n1
Show InChI InChI=1S/C21H18FN7O/c1-11-23-8-13-16(18-24-9-14-17(26-18)27-20(30)21(14,2)3)28-29(19(13)25-11)10-12-6-4-5-7-15(12)22/h4-9H,10H2,1-3H3,(H,24,26,27,30)
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n/an/a 310n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157156
PNG
(US9023849, 27)
Show SMILES Cc1nc(nc2NC(=O)C(C)(C)c12)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
Show InChI InChI=1S/C23H19F2N5O/c1-12-19-20(27-21(31)23(19,2)3)28-22(26-12)30-18-9-8-14(24)11-15(18)17(29-30)10-13-6-4-5-7-16(13)25/h4-9,11H,10H2,1-3H3,(H,26,27,28,31)
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n/an/a 340n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157149
PNG
(US9023849, 19)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2ncncc12
Show InChI InChI=1S/C19H15FN8O/c1-19(2)14-16(24-18(19)29)23-15(26-25-14)13-11-7-21-9-22-17(11)28(27-13)8-10-5-3-4-6-12(10)20/h3-7,9H,8H2,1-2H3,(H,23,24,26,29)
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n/an/a 370n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157140
PNG
(US9023849, 8)
Show SMILES CC1(C)C(=O)Nc2nc(ncc12)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
Show InChI InChI=1S/C22H17F2N5O/c1-22(2)15-11-25-21(27-19(15)26-20(22)30)29-18-8-7-13(23)10-14(18)17(28-29)9-12-5-3-4-6-16(12)24/h3-8,10-11H,9H2,1-2H3,(H,25,26,27,30)
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n/an/a 400n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157138
PNG
(US9023849, 5)
Show SMILES CC1(C)C(=O)Nc2nc(ncc12)-n1nc(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H18FN5O/c1-22(2)15-12-24-21(26-19(15)25-20(22)29)28-18-10-6-4-8-14(18)17(27-28)11-13-7-3-5-9-16(13)23/h3-10,12H,11H2,1-2H3,(H,24,25,26,29)
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n/an/a 440n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157152
PNG
(US9023849, 23)
Show SMILES CCc1nc(nc2NC(=O)C(C)(C)c12)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
Show InChI InChI=1S/C24H21F2N5O/c1-4-17-20-21(28-22(32)24(20,2)3)29-23(27-17)31-19-10-9-14(25)12-15(19)18(30-31)11-13-7-5-6-8-16(13)26/h5-10,12H,4,11H2,1-3H3,(H,27,28,29,32)
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n/an/a 440n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157157
PNG
(US9023849, 28)
Show SMILES CCCc1nc(nc2NC(=O)C(C)(C)c12)-n1nc(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C25H24FN5O/c1-4-9-18-21-22(28-23(32)25(21,2)3)29-24(27-18)31-20-13-8-6-11-16(20)19(30-31)14-15-10-5-7-12-17(15)26/h5-8,10-13H,4,9,14H2,1-3H3,(H,27,28,29,32)
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n/an/a 450n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157142
PNG
(US9023849, 10)
Show SMILES CC1(C)C(=O)Nc2nc(nc(I)c12)-c1nn(Cc2ccccc2F)c2CCCc12
Show InChI InChI=1S/C21H19FIN5O/c1-21(2)15-17(23)24-19(25-18(15)26-20(21)29)16-12-7-5-9-14(12)28(27-16)10-11-6-3-4-8-13(11)22/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,24,25,26,29)
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n/an/a 480n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157151
PNG
(US9023849, 22)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-n1nc(CCC(F)(F)C(F)(F)F)c2cc(F)ccc12
Show InChI InChI=1S/C18H14F6N6O/c1-16(2)12-13(25-14(16)31)26-15(28-27-12)30-11-4-3-8(19)7-9(11)10(29-30)5-6-17(20,21)18(22,23)24/h3-4,7H,5-6H2,1-2H3,(H,25,26,28,31)
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n/an/a 530n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157137
PNG
(US9023849, 3)
Show SMILES CC1(C)C(=O)Nc2nc(nc(I)c12)-n1nc(Cc2ccccc2F)c2ccccc12
Show InChI InChI=1S/C22H17FIN5O/c1-22(2)17-18(24)25-21(27-19(17)26-20(22)30)29-16-10-6-4-8-13(16)15(28-29)11-12-7-3-5-9-14(12)23/h3-10H,11H2,1-2H3,(H,25,26,27,30)
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n/an/a 690n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157139
PNG
(US9023849, 6)
Show SMILES CC1(C)C(=O)Nc2nc(nc(I)c12)-n1nc(Cc2ccccc2F)c2cc(F)ccc12
Show InChI InChI=1S/C22H16F2IN5O/c1-22(2)17-18(25)26-21(28-19(17)27-20(22)31)30-16-8-7-12(23)10-13(16)15(29-30)9-11-5-3-4-6-14(11)24/h3-8,10H,9H2,1-2H3,(H,26,27,28,31)
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n/an/a 690n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157144
PNG
(US9023849, 12)
Show SMILES CC1(C)C(=O)Nc2nc(nnc12)-c1nn(Cc2ccccc2F)c2CCCc12
Show InChI InChI=1S/C20H19FN6O/c1-20(2)16-18(23-19(20)28)22-17(25-24-16)15-12-7-5-9-14(12)27(26-15)10-11-6-3-4-8-13(11)21/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,22,23,25,28)
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n/an/a 3.50E+3n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157136
PNG
(US9023849, 2)
Show SMILES CC1(C)C(=O)Nc2nc(ncc12)-n1nc(Cc2c(F)ccc(F)c2F)c2cc(Cl)ccc12
Show InChI InChI=1S/C22H15ClF3N5O/c1-22(2)13-9-27-21(29-19(13)28-20(22)32)31-17-6-3-10(23)7-12(17)16(30-31)8-11-14(24)4-5-15(25)18(11)26/h3-7,9H,8H2,1-2H3,(H,27,28,29,32)
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n/an/a 3.70E+3n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM157143
PNG
(US9023849, 11)
Show SMILES CC1(C)C(=O)Nc2nc(ncc12)-c1nn(Cc2ccccc2F)c2CCCc12
Show InChI InChI=1S/C21H20FN5O/c1-21(2)14-10-23-19(24-18(14)25-20(21)28)17-13-7-5-9-16(13)27(26-17)11-12-6-3-4-8-15(12)22/h3-4,6,8,10H,5,7,9,11H2,1-2H3,(H,23,24,25,28)
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n/an/a 4.00E+3n/an/an/an/a7.5n/a



Bayer Intellectual Property GmbH

US Patent


Assay Description
To determine their in vitro action on human PDE 5, the test substances are dissolved in 100% DMSO and serially diluted. Typically, dilution series (1...


US Patent US9023849 (2015)


BindingDB Entry DOI: 10.7270/Q2TD9W3Q
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%