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Compile Data Set for Download or QSAR

Found 620 hits with Last Name = 'casagrande' and Initial = 'a'   
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
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125523
PNG
(US8772316, 6)
Show SMILES CCc1[nH]c(=O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H23NO4/c1-4-21-18-14-25(30-3)24(29-2)13-17(18)20(26(28)27-21)12-15-9-10-23-19(11-15)16-7-5-6-8-22(16)31-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
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n/an/a 0.120n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187126
PNG
(US9670181, 6 4-(dibenzo[b,d]furan-2-ylmethyl)-1-et...)
Show SMILES CCc1nc(O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H23NO4/c1-4-21-18-14-25(30-3)24(29-2)13-17(18)20(26(28)27-21)12-15-9-10-23-19(11-15)16-7-5-6-8-22(16)31-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
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n/an/a 0.120n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.160n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 119
PNG
(US9200016, 119)
Show SMILES COCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29)
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Article
n/an/a 0.180n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194437
PNG
(US9200016, 119)
Show SMILES COCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H24N4O5S/c1-30-13-20-18-11-22(32-3)21(31-2)10-17(18)15(12-25-20)9-16-8-7-14-5-4-6-19(23(14)26-16)27-33(24,28)29/h4-8,10-12,27H,9,13H2,1-3H3,(H2,24,28,29)
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n/an/a 0.180n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.220n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50434358
PNG
(CHEMBL2386770 | US9446044, 68)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4Br)c3c2s1
Show InChI InChI=1S/C17H11BrFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(19)6-9(10)18/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.240n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50434353
PNG
(CHEMBL2386747 | US9446044, 72)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4Cl)c3c2s1
Show InChI InChI=1S/C17H11Cl2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.280n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125567
PNG
(US8772316, 50)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-8-23-20-15-25(34-5)24(33-4)14-19(20)21(27(31)30-23)13-17-11-16-12-18(32-3)9-10-22(16)29-26(17)28-7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 0.280n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187169
PNG
(US9670181, 48 6,7-dimethoxy-4-((6-methoxy-2-(methy...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-8-23-20-15-25(34-5)24(33-4)14-19(20)21(27(31)30-23)13-17-11-16-12-18(32-3)9-10-22(16)29-26(17)28-7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 0.280n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125603
PNG
(US8772316, 86)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OCC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H32FN3O4/c1-6-9-22-19-14-26(35-5)25(34-4)13-18(19)20(28(33)32-22)11-17-10-16-12-24(36-8-3)21(29)15-23(16)31-27(17)30-7-2/h10,12-15H,6-9,11H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 0.300n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187210
PNG
(US9670181, 86 4-((6-ethoxy-2-(ethylamino)-7-fluoro...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OCC)c(F)cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H32FN3O4/c1-6-9-22-19-14-26(35-5)25(34-4)13-18(19)20(28(33)32-22)11-17-10-16-12-24(36-8-3)21(29)15-23(16)31-27(17)30-7-2/h10,12-15H,6-9,11H2,1-5H3,(H,30,31)(H,32,33)
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n/an/a 0.300n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125565
PNG
(US8772316, 48)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H29N3O4/c1-6-7-22-19-14-24(33-5)23(32-4)13-18(19)20(26(30)29-22)12-16-10-15-11-17(31-3)8-9-21(15)28-25(16)27-2/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,28)(H,29,30)
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n/an/a 0.340n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187169
PNG
(US9670181, 48 6,7-dimethoxy-4-((6-methoxy-2-(methy...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-8-23-20-15-25(34-5)24(33-4)14-19(20)21(27(31)30-23)13-17-11-16-12-18(32-3)9-10-22(16)29-26(17)28-7-2/h9-12,14-15H,6-8,13H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 0.340n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246383
PNG
(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
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n/an/a 0.360n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187209
PNG
(US9670181, 85 1-ethyl-6,7-dimethoxy-4-((6-methoxyq...)
Show SMILES CCc1nc(O)c(Cc2cnc3ccc(OC)cc3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C24H24N2O4/c1-5-20-18-12-23(30-4)22(29-3)11-17(18)19(24(27)26-20)9-14-8-15-10-16(28-2)6-7-21(15)25-13-14/h6-8,10-13H,5,9H2,1-4H3,(H,26,27)
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n/an/a 0.400n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187160
PNG
(US9670181, 40 1-ethyl-4-((2-(ethylamino)-6-methoxy...)
Show SMILES CCNc1nc2ccc(OC)cc2cc1Cc1c(O)nc(CC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H29N3O4/c1-6-21-19-14-24(33-5)23(32-4)13-18(19)20(26(30)29-21)12-16-10-15-11-17(31-3)8-9-22(15)28-25(16)27-7-2/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,28)(H,29,30)
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n/an/a 0.400n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125602
PNG
(US8772316, 85)
Show SMILES CCc1[nH]c(=O)c(Cc2cnc3ccc(OC)cc3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C24H24N2O4/c1-5-20-18-12-23(30-4)22(29-3)11-17(18)19(24(27)26-20)9-14-8-15-10-16(28-2)6-7-21(15)25-13-14/h6-8,10-13H,5,9H2,1-4H3,(H,26,27)
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n/an/a 0.400n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125557
PNG
(US8772316, 40)
Show SMILES CCNc1nc2ccc(OC)cc2cc1Cc1c2cc(OC)c(OC)cc2c(CC)[nH]c1=O
Show InChI InChI=1S/C26H29N3O4/c1-6-21-19-14-24(33-5)23(32-4)13-18(19)20(26(30)29-21)12-16-10-15-11-17(31-3)8-9-22(15)28-25(16)27-7-2/h8-11,13-14H,6-7,12H2,1-5H3,(H,27,28)(H,29,30)
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n/an/a 0.400n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 159
PNG
(US9200016, 159)
Show SMILES COc1cc2cncc(Cc3ccc4cccc(NS(N)(=O)=O)c4n3)c2cc1OC
Show InChI InChI=1S/C21H20N4O4S/c1-28-19-9-15-12-23-11-14(17(15)10-20(19)29-2)8-16-7-6-13-4-3-5-18(21(13)24-16)25-30(22,26)27/h3-7,9-12,25H,8H2,1-2H3,(H2,22,26,27)
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n/an/a 0.420n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194477
PNG
(US9200016, 159)
Show SMILES COc1cc2cncc(Cc3ccc4cccc(NS(N)(=O)=O)c4n3)c2cc1OC
Show InChI InChI=1S/C21H20N4O4S/c1-28-19-9-15-12-23-11-14(17(15)10-20(19)29-2)8-16-7-6-13-4-3-5-18(21(13)24-16)25-30(22,26)27/h3-7,9-12,25H,8H2,1-2H3,(H2,22,26,27)
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n/an/a 0.420n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125559
PNG
(US8772316, 42)
Show SMILES CCCNc1nc2ccc(OC)cc2cc1Cc1c2cc(OC)c(OC)cc2c(CC)[nH]c1=O
Show InChI InChI=1S/C27H31N3O4/c1-6-10-28-26-17(11-16-12-18(32-3)8-9-23(16)29-26)13-21-19-14-24(33-4)25(34-5)15-20(19)22(7-2)30-27(21)31/h8-9,11-12,14-15H,6-7,10,13H2,1-5H3,(H,28,29)(H,30,31)
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Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187127
PNG
(US9670181, 7 4-(dibenzo[b,d]furan-2-ylmethyl)-6,7-...)
Show SMILES CCCc1nc(O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H25NO4/c1-4-7-22-19-15-26(31-3)25(30-2)14-18(19)21(27(29)28-22)13-16-10-11-24-20(12-16)17-8-5-6-9-23(17)32-24/h5-6,8-12,14-15H,4,7,13H2,1-3H3,(H,28,29)
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ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187162
PNG
(US9670181, 42 1-ethyl-6,7-dimethoxy-4-((6-methoxy-...)
Show SMILES CCCNc1nc2ccc(OC)cc2cc1Cc1c(O)nc(CC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H31N3O4/c1-6-10-28-26-17(11-16-12-18(32-3)8-9-23(16)29-26)13-21-19-14-24(33-4)25(34-5)15-20(19)22(7-2)30-27(21)31/h8-9,11-12,14-15H,6-7,10,13H2,1-5H3,(H,28,29)(H,30,31)
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ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125524
PNG
(US8772316, 7)
Show SMILES CCCc1[nH]c(=O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H25NO4/c1-4-7-22-19-15-26(31-3)25(30-2)14-18(19)21(27(29)28-22)13-16-10-11-24-20(12-16)17-8-5-6-9-23(17)32-24/h5-6,8-12,14-15H,4,7,13H2,1-3H3,(H,28,29)
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Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 84
PNG
(US9200016, 84)
Show SMILES CCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H24N4O4S/c1-4-19-18-12-22(31-3)21(30-2)11-17(18)15(13-25-19)10-16-9-8-14-6-5-7-20(23(14)26-16)27-32(24,28)29/h5-9,11-13,27H,4,10H2,1-3H3,(H2,24,28,29)
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n/an/a 0.530n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194402
PNG
(US9200016, 84)
Show SMILES CCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C23H24N4O4S/c1-4-19-18-12-22(31-3)21(30-2)11-17(18)15(13-25-19)10-16-9-8-14-6-5-7-20(23(14)26-16)27-32(24,28)29/h5-9,11-13,27H,4,10H2,1-3H3,(H2,24,28,29)
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Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM246383
PNG
(US9446044, 69)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(OC)cc4F)c3c2s1
Show InChI InChI=1S/C18H14FN5O2S/c1-25-9-3-4-11(10(19)7-9)23-17-14-12(21-8-22-17)5-6-13-15(14)27-18(24-13)16(20)26-2/h3-8,20H,1-2H3,(H,21,22,23)
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DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 156
PNG
(US9200016, 156)
Show SMILES COc1cc2c(C)ncc(Cc3ccc4cccc(NS(N)(=O)=O)c4n3)c2cc1OC
Show InChI InChI=1S/C22H22N4O4S/c1-13-17-10-20(29-2)21(30-3)11-18(17)15(12-24-13)9-16-8-7-14-5-4-6-19(22(14)25-16)26-31(23,27)28/h4-8,10-12,26H,9H2,1-3H3,(H2,23,27,28)
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n/an/a 0.710n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194474
PNG
(US9200016, 156)
Show SMILES COc1cc2c(C)ncc(Cc3ccc4cccc(NS(N)(=O)=O)c4n3)c2cc1OC
Show InChI InChI=1S/C22H22N4O4S/c1-13-17-10-20(29-2)21(30-3)11-18(17)15(12-24-13)9-16-8-7-14-5-4-6-19(22(14)25-16)26-31(23,27)28/h4-8,10-12,26H,9H2,1-3H3,(H2,23,27,28)
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n/an/a 0.710n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125570
PNG
(US8772316, 53)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc(OC)ccc3nc2NC(C)C)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H33N3O4/c1-7-8-24-21-15-26(35-6)25(34-5)14-20(21)22(28(32)31-24)13-18-11-17-12-19(33-4)9-10-23(17)30-27(18)29-16(2)3/h9-12,14-16H,7-8,13H2,1-6H3,(H,29,30)(H,31,32)
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Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187174
PNG
(US9670181, 53 4-((2-(isopropylamino)-6-methoxyquin...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc(OC)ccc3nc2NC(C)C)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C28H33N3O4/c1-7-8-24-21-15-26(35-6)25(34-5)14-20(21)22(28(32)31-24)13-18-11-17-12-19(33-4)9-10-23(17)30-27(18)29-16(2)3/h9-12,14-16H,7-8,13H2,1-6H3,(H,29,30)(H,31,32)
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n/an/a 0.800n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 85
PNG
(US9200016, 85)
Show SMILES CCCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-6-20-19-13-23(32-3)22(31-2)12-18(19)16(14-26-20)11-17-10-9-15-7-5-8-21(24(15)27-17)28-33(25,29)30/h5,7-10,12-14,28H,4,6,11H2,1-3H3,(H2,25,29,30)
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University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194403
PNG
(US9200016, 85)
Show SMILES CCCc1ncc(Cc2ccc3cccc(NS(N)(=O)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C24H26N4O4S/c1-4-6-20-19-13-23(32-3)22(31-2)12-18(19)16(14-26-20)11-17-10-9-15-7-5-8-21(24(15)27-17)28-33(25,29)30/h5,7-10,12-14,28H,4,6,11H2,1-3H3,(H2,25,29,30)
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Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4D


(Homo sapiens (Human))
BDBM187126
PNG
(US9670181, 6 4-(dibenzo[b,d]furan-2-ylmethyl)-1-et...)
Show SMILES CCc1nc(O)c(Cc2ccc3oc4ccccc4c3c2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H23NO4/c1-4-21-18-14-25(30-3)24(29-2)13-17(18)20(26(28)27-21)12-15-9-10-23-19(11-15)16-7-5-6-8-22(16)31-23/h5-11,13-14H,4,12H2,1-3H3,(H,27,28)
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ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434352
PNG
(CHEMBL2386748 | US9446044, 78)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1
Show InChI InChI=1S/C17H11F2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.940n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434364
PNG
(CHEMBL2386764 | US9446044, 65)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(C)cc4)c3c2s1
Show InChI InChI=1S/C18H15N5OS/c1-10-3-5-11(6-4-10)22-17-14-12(20-9-21-17)7-8-13-15(14)25-18(23-13)16(19)24-2/h3-9,19H,1-2H3,(H,20,21,22)
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n/an/a 0.980n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM246384
PNG
(US9446044, 71)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4F)c3c2s1
Show InChI InChI=1S/C17H11ClFN5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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n/an/a 0.990n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-regulated kinases 1B


(Homo sapiens (Human))
BDBM50434352
PNG
(CHEMBL2386748 | US9446044, 78)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(F)cc4F)c3c2s1
Show InChI InChI=1S/C17H11F2N5OS/c1-25-15(20)17-24-12-5-4-11-13(14(12)26-17)16(22-7-21-11)23-10-3-2-8(18)6-9(10)19/h2-7,20H,1H3,(H,21,22,23)
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US Patent
n/an/a 1.07n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187184
PNG
(US9670181, 62 6,7-dimethoxy-4-((6-(methylamino)-[1...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc4OCOc4cc3nc2NC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H27N3O5/c1-5-6-19-17-11-22(32-4)21(31-3)10-16(17)18(26(30)29-19)8-15-7-14-9-23-24(34-13-33-23)12-20(14)28-25(15)27-2/h7,9-12H,5-6,8,13H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 1.10n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125579
PNG
(US8772316, 62)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc4OCOc4cc3nc2NC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H27N3O5/c1-5-6-19-17-11-22(32-4)21(31-3)10-16(17)18(26(30)29-19)8-15-7-14-9-23-24(34-13-33-23)12-20(14)28-25(15)27-2/h7,9-12H,5-6,8,13H2,1-4H3,(H,27,28)(H,29,30)
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n/an/a 1.10n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
Dual-specificity tyrosine-phosphorylation regulated kinase 1A


(Homo sapiens (Human))
BDBM50434338
PNG
(CHEMBL2386762 | US9446044, 56)
Show SMILES COC(=N)c1nc2ccc3ncnc(Nc4ccc(Cl)cc4)c3c2s1
Show InChI InChI=1S/C17H12ClN5OS/c1-24-15(19)17-23-12-7-6-11-13(14(12)25-17)16(21-8-20-11)22-10-4-2-9(18)3-5-10/h2-8,19H,1H3,(H,20,21,22)
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UniChem
US Patent
n/an/a 1.13n/an/an/an/a7.525



DIAXONHIT

US Patent


Assay Description
The DYRK1A and DYRK1B kinase assays to determine IC50 values were performed by Reaction Biology Corporation using HotSpot technology Worldwide websit...


US Patent US9446044 (2016)


BindingDB Entry DOI: 10.7270/Q2610Z7J
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125581
PNG
(US8772316, 64)
Show SMILES CCCc1[nH]c(=O)c(Cc2cc3cc4OCOc4cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H29N3O5/c1-5-7-20-18-12-23(33-4)22(32-3)11-17(18)19(27(31)30-20)9-16-8-15-10-24-25(35-14-34-24)13-21(15)29-26(16)28-6-2/h8,10-13H,5-7,9,14H2,1-4H3,(H,28,29)(H,30,31)
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n/an/a 1.20n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194392
PNG
(US9200016, 74)
Show SMILES COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
Show InChI InChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
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n/an/a 1.20n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 74
PNG
(US9200016, 74)
Show SMILES COc1cc2cncc(Cc3cnc4cc(C)ccc4c3)c2cc1OC
Show InChI InChI=1S/C22H20N2O2/c1-14-4-5-16-7-15(11-24-20(16)6-14)8-17-12-23-13-18-9-21(25-2)22(26-3)10-19(17)18/h4-7,9-13H,8H2,1-3H3
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Article
n/an/a 1.20n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187186
PNG
(US9670181, 64 4-((6-(ethylamino)-[1,3]dioxolo[4,5-...)
Show SMILES CCCc1nc(O)c(Cc2cc3cc4OCOc4cc3nc2NCC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C27H29N3O5/c1-5-7-20-18-12-23(33-4)22(32-3)11-17(18)19(27(31)30-20)9-16-8-15-10-24-25(35-14-34-24)13-21(15)29-26(16)28-6-2/h8,10-13H,5-7,9,14H2,1-4H3,(H,28,29)(H,30,31)
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n/an/a 1.20n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
3',5'-cyclic phosphodiesterase


(Homo sapiens (Human))
US9902710, Compound 73
PNG
(US9200016, 139 | US9200016, 73)
Show SMILES CCCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H27N3O4/c1-4-6-21-20-13-24(32-3)23(31-2)12-19(20)17(14-28-21)11-18-10-9-16-7-5-8-22(26(16)29-18)33-15-25(27)30/h5,7-10,12-14H,4,6,11,15H2,1-3H3,(H2,27,30)
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n/an/a 1.40n/an/an/an/an/an/a



University of Mississippi





J Med Chem 48: 2906-15 (2005)


Article DOI: 10.1021/jm049011j
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM194391
PNG
(US9200016, 139 | US9200016, 73)
Show SMILES CCCc1ncc(Cc2ccc3cccc(OCC(N)=O)c3n2)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H27N3O4/c1-4-6-21-20-13-24(32-3)23(31-2)12-19(20)17(14-28-21)11-18-10-9-16-7-5-8-22(26(16)29-18)33-15-25(27)30/h5,7-10,12-14H,4,6,11,15H2,1-3H3,(H2,27,30)
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n/an/a 1.40n/an/an/an/a7.437



Allergan, Inc.; Exonhit Therapeutics, SA

US Patent


Assay Description
The phosphodiesterase assay was developed using the LANCE cAMP kit (PerkinElmer). The assay buffer contained HBSS with 5 mM HEPES, 0.1% BSA, and 1....


US Patent US9200016 (2015)


BindingDB Entry DOI: 10.7270/Q2ZC81PH
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM125599
PNG
(US8772316, 82)
Show SMILES CCNc1nc2cc(F)c(OC)cc2cc1Cc1c2cc(OC)c(OC)cc2c(CC)[nH]c1=O
Show InChI InChI=1S/C26H28FN3O4/c1-6-20-17-12-24(34-5)23(33-4)11-16(17)18(26(31)30-20)9-15-8-14-10-22(32-3)19(27)13-21(14)29-25(15)28-7-2/h8,10-13H,6-7,9H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 1.40n/an/an/an/a7.4n/a



Allergan, Inc.; Exonhit Therapeutics SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE from Perkin Elmer). This co...


US Patent US8772316 (2014)


BindingDB Entry DOI: 10.7270/Q2Q81BR8
More data for this
Ligand-Target Pair
cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A


(Homo sapiens (Human))
BDBM187206
PNG
(US9670181, 82 1-ethyl-4-((2-(ethylamino)-7-fluoro-...)
Show SMILES CCNc1nc2cc(F)c(OC)cc2cc1Cc1c(O)nc(CC)c2cc(OC)c(OC)cc12
Show InChI InChI=1S/C26H28FN3O4/c1-6-20-17-12-24(34-5)23(33-4)11-16(17)18(26(31)30-20)9-15-8-14-10-22(32-3)19(27)13-21(14)29-25(15)28-7-2/h8,10-13H,6-7,9H2,1-5H3,(H,28,29)(H,30,31)
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n/an/a 1.40n/an/an/an/a7.425



ALLERGAN, INC.; EXONHIT THERAPEUTICS SA

US Patent


Assay Description
The PDE assay is based on the homogenous time-resolved fluorescence resonance energy transfer (TR-FRET) technology (LANCE® from Perkin Elmer). This c...


US Patent US9670181 (2017)


BindingDB Entry DOI: 10.7270/Q21Z42KJ
More data for this
Ligand-Target Pair
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