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Patent code US10793580

Compile Data Set for Download or QSAR

Found 310 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
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465901
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCC(CC)C(=O)OCCCc1nn(CC)c2c1CC1(CCOCC1)CNC2=O
Show InChI InChI=1S/C22H35N3O4/c1-4-16(5-2)21(27)29-11-7-8-18-17-14-22(9-12-28-13-10-22)15-23-20(26)19(17)25(6-3)24-18/h16H,4-15H2,1-3H3,(H,23,26)
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US Patent


Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465902
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccccc2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H29N3O4/c1-2-26-20-18(15-23(16-24-21(20)27)10-13-29-14-11-23)19(25-26)9-6-12-30-22(28)17-7-4-3-5-8-17/h3-5,7-8H,2,6,9-16H2,1H3,(H,24,27)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465925
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(c2)C(C)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H31N3O5/c1-3-28-22-20(15-25(16-26-23(22)30)9-12-32-13-10-25)21(27-28)8-5-11-33-24(31)19-7-4-6-18(14-19)17(2)29/h4,6-7,14H,3,5,8-13,15-16H2,1-2H3,(H,26,30)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465945
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(Cl)c(F)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H27ClFN3O4/c1-2-28-20-16(13-23(14-26-21(20)29)7-10-31-11-8-23)19(27-28)4-3-9-32-22(30)15-5-6-17(24)18(25)12-15/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465952
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(F)c(Cl)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H27ClFN3O4/c1-2-28-20-16(13-23(14-26-21(20)29)7-10-31-11-8-23)19(27-28)4-3-9-32-22(30)15-5-6-18(25)17(24)12-15/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466007
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(cc2)C(=O)N2CCOCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C28H36N4O6/c1-2-32-24-22(18-28(19-29-25(24)33)9-14-36-15-10-28)23(30-32)4-3-13-38-27(35)21-7-5-20(6-8-21)26(34)31-11-16-37-17-12-31/h5-8H,2-4,9-19H2,1H3,(H,29,33)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466014
PNG
(3-(1-ethyl-8-oxo- spiro[6,7-dihydro-4H- pyrazolo[3...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(c2)C(=O)N2CCCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C29H38N4O5/c1-2-33-25-23(19-29(20-30-26(25)34)11-16-37-17-12-29)24(31-33)10-7-15-38-28(36)22-9-6-8-21(18-22)27(35)32-13-4-3-5-14-32/h6,8-9,18H,2-5,7,10-17,19-20H2,1H3,(H,30,34)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466018
PNG
(4-(1-ethyl-8-oxo- spiro[6,7-dihydro-4H- pyrazolo[3...)
Show SMILES CCn1nc(CCCCOC(=O)C(C)C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C21H33N3O4/c1-4-24-18-16(13-21(14-22-19(18)25)8-11-27-12-9-21)17(23-24)7-5-6-10-28-20(26)15(2)3/h15H,4-14H2,1-3H3,(H,22,25)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466022
PNG
(4-(1-ethyl-8-oxo- spiro[6,7-dihydro-4H- pyrazolo[3...)
Show SMILES CCn1nc(CCCCOC(=O)c2ccc(OC)cc2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H33N3O5/c1-3-28-22-20(16-25(17-26-23(22)29)11-14-32-15-12-25)21(27-28)6-4-5-13-33-24(30)18-7-9-19(31-2)10-8-18/h7-10H,3-6,11-17H2,1-2H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466025
PNG
(4-(1-ethyl-8-oxo- spiro[6,7-dihydro-4H- pyrazolo[3...)
Show SMILES CCn1nc(CCCCOC(=O)c2ccc(cc2)C(=O)NC)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C26H34N4O5/c1-3-30-22-20(16-26(17-28-24(22)32)11-14-34-15-12-26)21(29-30)6-4-5-13-35-25(33)19-9-7-18(8-10-19)23(31)27-2/h7-10H,3-6,11-17H2,1-2H3,(H,27,31)(H,28,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466037
PNG
(US10793580, Example 140 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2ccc(C)cc2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H33N3O4/c1-4-28-22-20(14-25(16-26-23(22)29)9-11-31-12-10-25)21(27-28)13-18(3)15-32-24(30)19-7-5-17(2)6-8-19/h5-8,18H,4,9-16H2,1-3H3,(H,26,29)/t18-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466039
PNG
(US10793580, Example 142 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2cccc(C)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H33N3O4/c1-4-28-22-20(14-25(16-26-23(22)29)8-10-31-11-9-25)21(27-28)13-18(3)15-32-24(30)19-7-5-6-17(2)12-19/h5-7,12,18H,4,8-11,13-16H2,1-3H3,(H,26,29)/t18-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466041
PNG
(US10793580, Example 143 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2cccc(F)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H30FN3O4/c1-3-28-21-19(13-24(15-26-22(21)29)7-9-31-10-8-24)20(27-28)11-16(2)14-32-23(30)17-5-4-6-18(25)12-17/h4-6,12,16H,3,7-11,13-15H2,1-2H3,(H,26,29)/t16-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466053
PNG
(US10793580, Example 154 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2cccc(c2)C(C)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C26H33N3O5/c1-4-29-23-21(14-26(16-27-24(23)31)8-10-33-11-9-26)22(28-29)12-17(2)15-34-25(32)20-7-5-6-19(13-20)18(3)30/h5-7,13,17H,4,8-12,14-16H2,1-3H3,(H,27,31)/t17-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466058
PNG
(US10793580, Example 159 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2cccc(c2)S(=O)(=O)C(C)C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C27H37N3O6S/c1-5-30-24-22(15-27(17-28-25(24)31)9-11-35-12-10-27)23(29-30)13-19(4)16-36-26(32)20-7-6-8-21(14-20)37(33,34)18(2)3/h6-8,14,18-19H,5,9-13,15-17H2,1-4H3,(H,28,31)/t19-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466075
PNG
(US10793580, Example 178 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)c2cccc(c2)C(N)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H32N4O5/c1-3-29-21-19(13-25(15-27-23(21)31)7-9-33-10-8-25)20(28-29)11-16(2)14-34-24(32)18-6-4-5-17(12-18)22(26)30/h4-6,12,16H,3,7-11,13-15H2,1-2H3,(H2,26,30)(H,27,31)/t16-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466086
PNG
(US10793580, Example 188 | [3-(1-ethyl-8-oxo- spiro...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2ccc(C)cc2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C26H35N3O4/c1-5-29-22-20(14-26(16-27-23(22)30)10-12-32-13-11-26)21(28-29)15-25(3,4)17-33-24(31)19-8-6-18(2)7-9-19/h6-9H,5,10-17H2,1-4H3,(H,27,30)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466094
PNG
(US10793580, Example 195 | [3-(1-ethyl-8-oxo- spiro...)
Show SMILES CCc1ccc(cc1)C(=O)OCC(C)(C)Cc1nn(CC)c2c1CC1(CCOCC1)CNC2=O
Show InChI InChI=1S/C27H37N3O4/c1-5-19-7-9-20(10-8-19)25(32)34-18-26(3,4)16-22-21-15-27(11-13-33-14-12-27)17-28-24(31)23(21)30(6-2)29-22/h7-10H,5-6,11-18H2,1-4H3,(H,28,31)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466106
PNG
(US10793580, Example 206 | [3-(1-ethyl-8-oxo- spiro...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2cccc(c2)S(=O)(=O)C(C)C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C28H39N3O6S/c1-6-31-24-22(15-28(17-29-25(24)32)10-12-36-13-11-28)23(30-31)16-27(4,5)18-37-26(33)20-8-7-9-21(14-20)38(34,35)19(2)3/h7-9,14,19H,6,10-13,15-18H2,1-5H3,(H,29,32)
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US Patent


Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466108
PNG
(US10793580, Example 208 | [3-(1-ethyl-8-oxo-spiro-...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2ccc(cc2)S(=O)(=O)N(C)C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C27H38N4O6S/c1-6-31-23-21(15-27(17-28-24(23)32)11-13-36-14-12-27)22(29-31)16-26(2,3)18-37-25(33)19-7-9-20(10-8-19)38(34,35)30(4)5/h7-10H,6,11-18H2,1-5H3,(H,28,32)
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US Patent


Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466116
PNG
(US10793580, Example 216 | [3-(1-ethyl-8-oxo- spiro...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(C)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C31H43N5O7S/c1-5-36-27-25(18-31(20-32-28(27)38)10-16-42-17-11-31)26(33-36)19-30(3,4)21-43-29(39)23-6-8-24(9-7-23)44(40,41)35-14-12-34(13-15-35)22(2)37/h6-9H,5,10-21H2,1-4H3,(H,32,38)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466121
PNG
(US10793580, Example 221 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2ccc(cc2)C(=O)N2CCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C30H40N4O5/c1-4-34-25-23(17-30(19-31-26(25)35)11-15-38-16-12-30)24(32-34)18-29(2,3)20-39-28(37)22-9-7-21(8-10-22)27(36)33-13-5-6-14-33/h7-10H,4-6,11-20H2,1-3H3,(H,31,35)
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US Patent


Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466122
PNG
(US10793580, Example 222 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2ccc(cc2)C(=O)N2CCCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C31H42N4O5/c1-4-35-26-24(18-31(20-32-27(26)36)12-16-39-17-13-31)25(33-35)19-30(2,3)21-40-29(38)23-10-8-22(9-11-23)28(37)34-14-6-5-7-15-34/h8-11H,4-7,12-21H2,1-3H3,(H,32,36)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466131
PNG
(US10793580, Example 230 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2cccc(c2)C(=O)N2CCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C30H40N4O5/c1-4-34-25-23(17-30(19-31-26(25)35)10-14-38-15-11-30)24(32-34)18-29(2,3)20-39-28(37)22-9-7-8-21(16-22)27(36)33-12-5-6-13-33/h7-9,16H,4-6,10-15,17-20H2,1-3H3,(H,31,35)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466140
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cn(C)cn2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C21H29N5O4/c1-3-26-18-15(11-21(13-22-19(18)27)6-9-29-10-7-21)16(24-26)5-4-8-30-20(28)17-12-25(2)14-23-17/h12,14H,3-11,13H2,1-2H3,(H,22,27)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466150
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cc(C)n(C)n2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C22H31N5O4/c1-4-27-19-16(13-22(14-23-20(19)28)7-10-30-11-8-22)17(25-27)6-5-9-31-21(29)18-12-15(2)26(3)24-18/h12H,4-11,13-14H2,1-3H3,(H,23,28)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466154
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cc(C)ns2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C21H28N4O4S/c1-3-25-18-15(12-21(13-22-19(18)26)6-9-28-10-7-21)16(23-25)5-4-8-29-20(27)17-11-14(2)24-30-17/h11H,3-10,12-13H2,1-2H3,(H,22,26)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466172
PNG
(4-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCCOC(=O)c2cscn2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C21H28N4O4S/c1-2-25-18-15(11-21(13-22-19(18)26)6-9-28-10-7-21)16(24-25)5-3-4-8-29-20(27)17-12-30-14-23-17/h12,14H,2-11,13H2,1H3,(H,22,26)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466192
PNG
(US10793580, Example 287 | [(2R)-3-(1-ethyl-8-oxo- ...)
Show SMILES CCn1nc(C[C@@H](C)COC(=O)C2CCOCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H35N3O5/c1-3-26-20-18(13-23(15-24-21(20)27)6-10-30-11-7-23)19(25-26)12-16(2)14-31-22(28)17-4-8-29-9-5-17/h16-17H,3-15H2,1-2H3,(H,24,27)/t16-/m1/s1
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466205
PNG
(US10793580, Example 299 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2cnn(C)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H33N5O4/c1-5-28-19-17(10-23(14-24-20(19)29)6-8-31-9-7-23)18(26-28)11-22(2,3)15-32-21(30)16-12-25-27(4)13-16/h12-13H,5-11,14-15H2,1-4H3,(H,24,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466207
PNG
(US10793580, Example 301 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2coc(C)n2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H32N4O5/c1-5-27-19-16(10-23(13-24-20(19)28)6-8-30-9-7-23)17(26-27)11-22(3,4)14-32-21(29)18-12-31-15(2)25-18/h12H,5-11,13-14H2,1-4H3,(H,24,28)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466213
PNG
(US10793580, Example 307 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)C2CCOCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H37N3O5/c1-4-27-20-18(13-24(15-25-21(20)28)7-11-31-12-8-24)19(26-27)14-23(2,3)16-32-22(29)17-5-9-30-10-6-17/h17H,4-16H2,1-3H3,(H,25,28)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466215
PNG
(US10793580, Example 309 | [3-(1-ethyl-8-oxo-spiro[...)
Show SMILES CCn1nc(CC(C)(C)COC(=O)c2cc(C)n(C)n2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H35N5O4/c1-6-29-20-17(12-24(14-25-21(20)30)7-9-32-10-8-24)19(27-29)13-23(3,4)15-33-22(31)18-11-16(2)28(5)26-18/h11H,6-10,12-15H2,1-5H3,(H,25,30)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465903
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(C)cc2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H31N3O4/c1-3-27-21-19(15-24(16-25-22(21)28)10-13-30-14-11-24)20(26-27)5-4-12-31-23(29)18-8-6-17(2)7-9-18/h6-9H,3-5,10-16H2,1-2H3,(H,25,28)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465909
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(C)cc2C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H33N3O4/c1-4-28-22-20(15-25(16-26-23(22)29)9-12-31-13-10-25)21(27-28)6-5-11-32-24(30)19-8-7-17(2)14-18(19)3/h7-8,14H,4-6,9-13,15-16H2,1-3H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465916
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cc(F)ccc2C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H30FN3O4/c1-3-28-21-19(14-24(15-26-22(21)29)8-11-31-12-9-24)20(27-28)5-4-10-32-23(30)18-13-17(25)7-6-16(18)2/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465923
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2c(F)cccc2F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H27F2N3O4/c1-2-28-20-15(13-23(14-26-21(20)29)8-11-31-12-9-23)18(27-28)7-4-10-32-22(30)19-16(24)5-3-6-17(19)25/h3,5-6H,2,4,7-14H2,1H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465936
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(OC)c2F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H30FN3O5/c1-3-28-21-17(14-24(15-26-22(21)29)9-12-32-13-10-24)18(27-28)7-5-11-33-23(30)16-6-4-8-19(31-2)20(16)25/h4,6,8H,3,5,7,9-15H2,1-2H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465956
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(OC)c(Cl)c2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H30ClN3O5/c1-3-28-21-17(14-24(15-26-22(21)29)8-11-32-12-9-24)19(27-28)5-4-10-33-23(30)16-6-7-20(31-2)18(25)13-16/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H,26,29)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465964
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(c2)S(N)(=O)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C23H30N4O6S/c1-2-27-20-18(14-23(15-25-21(20)28)8-11-32-12-9-23)19(26-27)7-4-10-33-22(29)16-5-3-6-17(13-16)34(24,30)31/h3,5-6,13H,2,4,7-12,14-15H2,1H3,(H,25,28)(H2,24,30,31)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465977
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(OC)c(c2)C(F)(F)F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H30F3N3O5/c1-3-31-21-17(14-24(15-29-22(21)32)8-11-35-12-9-24)19(30-31)5-4-10-36-23(33)16-6-7-20(34-2)18(13-16)25(26,27)28/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H,29,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465978
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cc(OC)ccc2C(F)(F)F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H30F3N3O5/c1-3-31-21-18(14-24(15-29-22(21)32)8-11-35-12-9-24)20(30-31)5-4-10-36-23(33)17-13-16(34-2)6-7-19(17)25(26,27)28/h6-7,13H,3-5,8-12,14-15H2,1-2H3,(H,29,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465988
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(Cl)c(c2)C(F)(F)F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C24H27ClF3N3O4/c1-2-31-20-16(13-23(14-29-21(20)32)7-10-34-11-8-23)19(30-31)4-3-9-35-22(33)15-5-6-18(25)17(12-15)24(26,27)28/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,29,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465992
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(cc2)S(=O)(=O)C(C)C)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C26H35N3O6S/c1-4-29-23-21(16-26(17-27-24(23)30)11-14-34-15-12-26)22(28-29)6-5-13-35-25(31)19-7-9-20(10-8-19)36(32,33)18(2)3/h7-10,18H,4-6,11-17H2,1-3H3,(H,27,30)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465993
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(cc2)S(=O)(=O)C2CCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C28H37N3O6S/c1-2-31-25-23(18-28(19-29-26(25)32)13-16-36-17-14-28)24(30-31)8-5-15-37-27(33)20-9-11-22(12-10-20)38(34,35)21-6-3-4-7-21/h9-12,21H,2-8,13-19H2,1H3,(H,29,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465994
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(c2)S(=O)(=O)N2CCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C27H36N4O6S/c1-2-31-24-22(18-27(19-28-25(24)32)10-15-36-16-11-27)23(29-31)9-6-14-37-26(33)20-7-5-8-21(17-20)38(34,35)30-12-3-4-13-30/h5,7-8,17H,2-4,6,9-16,18-19H2,1H3,(H,28,32)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM465997
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(c(c2)C(F)(F)F)C(F)(F)F)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C25H27F6N3O4/c1-2-34-20-16(13-23(14-32-21(20)35)7-10-37-11-8-23)19(33-34)4-3-9-38-22(36)15-5-6-17(24(26,27)28)18(12-15)25(29,30)31/h5-6,12H,2-4,7-11,13-14H2,1H3,(H,32,35)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466000
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2cccc(c2)S(=O)(=O)N2CCN(CC2)C(C)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C29H39N5O7S/c1-3-34-26-24(19-29(20-30-27(26)36)9-16-40-17-10-29)25(31-34)8-5-15-41-28(37)22-6-4-7-23(18-22)42(38,39)33-13-11-32(12-14-33)21(2)35/h4,6-7,18H,3,5,8-17,19-20H2,1-2H3,(H,30,36)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466001
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(cc2)S(=O)(=O)N2CCN(CC2)C(C)=O)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C29H39N5O7S/c1-3-34-26-24(19-29(20-30-27(26)36)10-17-40-18-11-29)25(31-34)5-4-16-41-28(37)22-6-8-23(9-7-22)42(38,39)33-14-12-32(13-15-33)21(2)35/h6-9H,3-5,10-20H2,1-2H3,(H,30,36)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
BDBM466006
PNG
(3-(1-ethyl-8-oxo-spiro[6,7- dihydro-4H-pyrazolo[3,...)
Show SMILES CCn1nc(CCCOC(=O)c2ccc(cc2)C(=O)N2CCCCC2)c2CC3(CCOCC3)CNC(=O)c12
Show InChI InChI=1S/C29H38N4O5/c1-2-33-25-23(19-29(20-30-26(25)34)12-17-37-18-13-29)24(31-33)7-6-16-38-28(36)22-10-8-21(9-11-22)27(35)32-14-4-3-5-15-32/h8-11H,2-7,12-20H2,1H3,(H,30,34)
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Assay Description
The human PDE4D catalytic domain (UniProt no. Q08499 [S380-L740]) was incubated with a mixture of non-labelled cAMP (cyclic adenosine monophosphate) ...


US Patent US10793580 (2020)

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