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Patent code US8980904

Compile Data Set for Download or QSAR
Found 18 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))
BDBM150179
PNG
(US8980904, 4)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C24H24ClN5O3/c1-32-21-6-5-15(8-20(21)25)14-33-23-19(22(31)27-10-18-4-2-3-7-26-18)11-28-24(29-23)30-12-16-9-17(16)13-30/h2-8,11,16-17H,9-10,12-14H2,1H3,(H,27,31)
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US Patent
n/an/a 0.0280n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150181
PNG
(US8980904, 6)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccc(F)cc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C25H24ClFN4O3/c1-33-22-7-4-16(8-21(22)26)14-34-24-20(23(32)28-10-15-2-5-19(27)6-3-15)11-29-25(30-24)31-12-17-9-18(17)13-31/h2-8,11,17-18H,9-10,12-14H2,1H3,(H,28,32)
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n/an/a 0.0750n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150178
PNG
(US8980904, 3)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ncccn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C23H23ClN6O3/c1-32-19-4-3-14(7-18(19)24)13-33-22-17(21(31)27-10-20-25-5-2-6-26-20)9-28-23(29-22)30-11-15-8-16(15)12-30/h2-7,9,15-16H,8,10-13H2,1H3,(H,27,31)
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n/an/a 0.100n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150190
PNG
(US8980904, 15)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C26H27ClN4O3/c1-33-22-8-7-19(13-21(22)27)16-34-24-20(23(32)28-14-18-5-3-2-4-6-18)15-29-25(30-24)31-12-11-26(17-31)9-10-26/h2-8,13,15H,9-12,14,16-17H2,1H3,(H,28,32)
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US Patent
n/an/a 0.119n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150176
PNG
(US8980904, 1)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C25H25ClN4O3/c1-32-22-8-7-17(9-21(22)26)15-33-24-20(23(31)27-11-16-5-3-2-4-6-16)12-28-25(29-24)30-13-18-10-19(18)14-30/h2-9,12,18-19H,10-11,13-15H2,1H3,(H,27,31)
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n/an/a 0.172n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150184
PNG
(US8980904, 9)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccn2)N2CCC3(CC3)CC2)cc1Cl
Show InChI InChI=1S/C26H28ClN5O3/c1-34-22-6-5-18(14-21(22)27)17-35-24-20(23(33)29-15-19-4-2-3-11-28-19)16-30-25(31-24)32-12-9-26(7-8-26)10-13-32/h2-6,11,14,16H,7-10,12-13,15,17H2,1H3,(H,29,33)
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n/an/a 0.186n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150188
PNG
(US8980904, 13)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCCN2CCOCC2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C24H30ClN5O4/c1-32-21-3-2-16(10-20(21)25)15-34-23-19(22(31)26-4-5-29-6-8-33-9-7-29)12-27-24(28-23)30-13-17-11-18(17)14-30/h2-3,10,12,17-18H,4-9,11,13-15H2,1H3,(H,26,31)
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n/an/a 0.213n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150183
PNG
(US8980904, 8)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ncccn2)N2CCC3(CC3)CC2)cc1Cl
Show InChI InChI=1S/C25H27ClN6O3/c1-34-20-4-3-17(13-19(20)26)16-35-23-18(22(33)29-15-21-27-9-2-10-28-21)14-30-24(31-23)32-11-7-25(5-6-25)8-12-32/h2-4,9-10,13-14H,5-8,11-12,15-16H2,1H3,(H,29,33)
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n/an/a 0.476n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150180
PNG
(US8980904, 5)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2cnc(C)cn2)N2CC3CC3C2)cc1Cl
Show InChI InChI=1S/C24H25ClN6O3/c1-14-7-27-18(8-26-14)9-28-22(32)19-10-29-24(31-11-16-6-17(16)12-31)30-23(19)34-13-15-3-4-21(33-2)20(25)5-15/h3-5,7-8,10,16-17H,6,9,11-13H2,1-2H3,(H,28,32)
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US Patent
n/an/a 0.529n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150187
PNG
(US8980904, 12)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CCC3(CC3)CC2)cc1Cl |r,wU:17.17,wD:20.21,(-9.38,-4.16,;-8.05,-4.93,;-6.72,-4.16,;-5.33,-4.9,;-4,-4.13,;-4,-2.59,;-2.67,-1.82,;-1.33,-2.59,;,-1.82,;,-.28,;1.33,.49,;2.67,-.28,;2.67,-1.82,;1.33,-2.59,;1.33,-4.13,;,-4.9,;2.67,-4.9,;4,-4.13,;4,-2.59,;5.33,-1.82,;6.67,-2.59,;8,-1.82,;6.67,-4.13,;5.33,-4.9,;1.33,2.03,;2.67,2.8,;2.67,4.34,;1.33,5.11,;2.1,6.44,;.56,6.44,;,4.34,;,2.8,;-5.33,-1.82,;-6.67,-2.59,;-8,-1.82,)|
Show InChI InChI=1S/C26H33ClN4O4/c1-34-22-7-2-17(14-21(22)27)16-35-24-20(23(33)29-18-3-5-19(32)6-4-18)15-28-25(30-24)31-12-10-26(8-9-26)11-13-31/h2,7,14-15,18-19,32H,3-6,8-13,16H2,1H3,(H,29,33)/t18-,19-
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US Patent
n/an/a 0.719n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150182
PNG
(US8980904, 7)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CC3CC3C2)cc1Cl |r,wU:17.17,wD:20.21,(-9.38,-3.8,;-8.05,-4.57,;-6.72,-3.8,;-5.33,-4.55,;-4,-3.78,;-4,-2.24,;-2.67,-1.47,;-1.33,-2.24,;,-1.47,;,.07,;1.33,.84,;2.67,.07,;2.67,-1.47,;1.33,-2.24,;1.33,-3.78,;,-4.55,;2.67,-4.55,;4,-3.78,;4,-2.24,;5.33,-1.47,;6.67,-2.24,;8,-1.47,;6.67,-3.78,;5.33,-4.55,;1.33,2.38,;2.58,3.29,;2.1,4.75,;1.33,6.09,;.56,4.75,;.09,3.29,;-5.33,-1.47,;-6.67,-2.24,;-8,-1.47,)|
Show InChI InChI=1S/C24H29ClN4O4/c1-32-21-7-2-14(8-20(21)25)13-33-23-19(22(31)27-17-3-5-18(30)6-4-17)10-26-24(28-23)29-11-15-9-16(15)12-29/h2,7-8,10,15-18,30H,3-6,9,11-13H2,1H3,(H,27,31)/t15?,16?,17-,18-
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US Patent
n/an/a 0.739n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150186
PNG
(US8980904, 11)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCCN2CCOCC2)N2CCC3(CC3)CC2)cc1Cl
Show InChI InChI=1S/C26H34ClN5O4/c1-34-22-3-2-19(16-21(22)27)18-36-24-20(23(33)28-8-11-31-12-14-35-15-13-31)17-29-25(30-24)32-9-6-26(4-5-26)7-10-32/h2-3,16-17H,4-15,18H2,1H3,(H,28,33)
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n/an/a 0.935n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150185
PNG
(US8980904, 10)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2CCC3(CC3)CC2)cc1Cl
Show InChI InChI=1S/C27H29ClN4O3/c1-34-23-8-7-20(15-22(23)28)18-35-25-21(24(33)29-16-19-5-3-2-4-6-19)17-30-26(31-25)32-13-11-27(9-10-27)12-14-32/h2-8,15,17H,9-14,16,18H2,1H3,(H,29,33)
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n/an/a 1.14n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150192
PNG
(US8980904, 18)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ncccn2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C24H25ClN6O3/c1-33-19-4-3-16(11-18(19)25)14-34-22-17(21(32)28-13-20-26-8-2-9-27-20)12-29-23(30-22)31-10-7-24(15-31)5-6-24/h2-4,8-9,11-12H,5-7,10,13-15H2,1H3,(H,28,32)
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n/an/a 1.44n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150189
PNG
(US8980904, 14)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2CCCC22CC2)cc1Cl
Show InChI InChI=1S/C26H27ClN4O3/c1-33-22-9-8-19(14-21(22)27)17-34-24-20(23(32)28-15-18-6-3-2-4-7-18)16-29-25(30-24)31-13-5-10-26(31)11-12-26/h2-4,6-9,14,16H,5,10-13,15,17H2,1H3,(H,28,32)
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US Patent
n/an/a 1.98n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150191
PNG
(US8980904, 17)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccc(F)cc2)N2CCC3(CC3)C2)cc1Cl
Show InChI InChI=1S/C26H26ClFN4O3/c1-34-22-7-4-18(12-21(22)27)15-35-24-20(23(33)29-13-17-2-5-19(28)6-3-17)14-30-25(31-24)32-11-10-26(16-32)8-9-26/h2-7,12,14H,8-11,13,15-16H2,1H3,(H,29,33)
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n/an/a 2.08n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150177
PNG
(US8980904, 2)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)NCc2ccccc2)N2C3CCC2COC3)cc1Cl
Show InChI InChI=1S/C26H27ClN4O4/c1-33-23-10-7-18(11-22(23)27)14-35-25-21(24(32)28-12-17-5-3-2-4-6-17)13-29-26(30-25)31-19-8-9-20(31)16-34-15-19/h2-7,10-11,13,19-20H,8-9,12,14-16H2,1H3,(H,28,32)
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US Patent
n/an/a 4.01n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
cGMP-specific 3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM150193
PNG
(US8980904, 19)
Show SMILES COc1ccc(COc2nc(ncc2C(=O)N[C@H]2CC[C@H](O)CC2)N2CCC3(CC3)C2)cc1Cl |r,wU:17.17,wD:20.21,(-9.34,-3.88,;-8,-4.65,;-6.67,-3.88,;-5.33,-4.65,;-4,-3.88,;-4,-2.34,;-2.67,-1.57,;-1.33,-2.34,;,-1.57,;,-.03,;1.33,.74,;2.67,-.03,;2.67,-1.57,;1.33,-2.34,;1.33,-3.88,;,-4.65,;2.67,-4.65,;4,-3.88,;4,-2.34,;5.33,-1.57,;6.67,-2.34,;8,-1.57,;6.67,-3.88,;5.33,-4.65,;1.33,2.28,;.09,3.19,;.56,4.65,;2.1,4.65,;3.44,5.42,;2.1,6.19,;2.58,3.19,;-5.33,-1.57,;-6.67,-2.34,;-8,-1.57,)|
Show InChI InChI=1S/C25H31ClN4O4/c1-33-21-7-2-16(12-20(21)26)14-34-23-19(22(32)28-17-3-5-18(31)6-4-17)13-27-24(29-23)30-11-10-25(15-30)8-9-25/h2,7,12-13,17-18,31H,3-6,8-11,14-15H2,1H3,(H,28,32)/t17-,18-
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US Patent
n/an/a 4.08n/an/an/an/a7.530



Xuanzhu Pharma Co., Ltd.

US Patent


Assay Description
A sample to be tested is precisely weighed, dissolved by adding DMSO, mixed sufficiently to form 10 mM solution. The above mother solution is diluted...


US Patent US8980904 (2015)


BindingDB Entry DOI: 10.7270/Q24M9389
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%