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Patent code US9809582

Compile Data Set for Download or QSAR
Found 68 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
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354673
PNG
(US9809582, Example 17)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(O)(C(=O)O[C@H]2CN3CCC2CC3)c2cccs2)s1
Show InChI InChI=1S/C35H37Cl2N3O8S2/c1-45-27-7-5-22(14-29(27)46-2)28(15-24-25(36)17-40(44)18-26(24)37)47-33(41)31-8-6-23(50-31)16-38-20-35(43,32-4-3-13-49-32)34(42)48-30-19-39-11-9-21(30)10-12-39/h3-8,13-14,17-18,21,28,30,38,43H,9-12,15-16,19-20H2,1-2H3/t28-,30-,35?/m0/s1
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n/an/a<1n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354671
PNG
(US9809582, Example 15)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H39Cl2N3O7S/c1-47-31-10-8-25(16-33(31)48-2)32(17-28-29(39)19-43(46)20-30(28)40)49-36(44)35-11-9-27(51-35)18-42-22-38(23-42,26-6-4-3-5-7-26)37(45)50-34-21-41-14-12-24(34)13-15-41/h3-11,16,19-20,24,32,34H,12-15,17-18,21-23H2,1-2H3/t32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354685
PNG
(US9809582, Example 30 | US9809582, Example 31)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354664
PNG
(US9809582, Example 7)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354674
PNG
(Single diastereoisomers of [(1S)-2-(3,5-dichloro-1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354663
PNG
(US9809582, Example 5)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-25(14-16-40)47-35(42)28(23-7-5-4-6-8-23)20-39-19-26-10-12-34(49-26)36(43)48-32(18-27-29(37)21-41(44)22-30(27)38)24-9-11-31(45-2)33(17-24)46-3/h4-12,17,21-22,25,28,32,39H,13-16,18-20H2,1-3H3/t28?,32-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354676
PNG
(Single diastereoisomers [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354681
PNG
(US9809582, Example 26 | US9809582, Example 27)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354663
PNG
(US9809582, Example 5)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-25(14-16-40)47-35(42)28(23-7-5-4-6-8-23)20-39-19-26-10-12-34(49-26)36(43)48-32(18-27-29(37)21-41(44)22-30(27)38)24-9-11-31(45-2)33(17-24)46-3/h4-12,17,21-22,25,28,32,39H,13-16,18-20H2,1-3H3/t28?,32-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354664
PNG
(US9809582, Example 7)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354669
PNG
(US9809582, Example 12)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CCN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C43H47Cl2N3O7/c1-52-37-13-12-32(24-39(37)53-2)38(25-34-35(44)26-48(51)27-36(34)45)54-41(49)31-10-8-29(9-11-31)14-19-46-22-17-43(18-23-46,33-6-4-3-5-7-33)42(50)55-40-28-47-20-15-30(40)16-21-47/h3-13,24,26-27,30,38,40H,14-23,25,28H2,1-2H3/t38-,40-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354670
PNG
(US9809582, Example 14)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C42H45Cl2N3O7/c1-51-36-12-11-30(22-38(36)52-2)37(23-33-34(43)25-47(50)26-35(33)44)53-40(48)31-8-6-7-28(21-31)24-46-19-15-42(16-20-46,32-9-4-3-5-10-32)41(49)54-39-27-45-17-13-29(39)14-18-45/h3-12,21-22,25-26,29,37,39H,13-20,23-24,27H2,1-2H3/t37-,39-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354670
PNG
(US9809582, Example 14)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1cccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)c1
Show InChI InChI=1S/C42H45Cl2N3O7/c1-51-36-12-11-30(22-38(36)52-2)37(23-33-34(43)25-47(50)26-35(33)44)53-40(48)31-8-6-7-28(21-31)24-46-19-15-42(16-20-46,32-9-4-3-5-10-32)41(49)54-39-27-45-17-13-29(39)14-18-45/h3-12,21-22,25-26,29,37,39H,13-20,23-24,27H2,1-2H3/t37-,39-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354675
PNG
(US9809582, Example 19)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37+/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354678
PNG
(US9809582, Example 22)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C34H37Cl2N3O7S/c1-38(2)14-15-45-33(40)26(22-8-6-5-7-9-22)19-37-18-24-11-13-32(47-24)34(41)46-30(17-25-27(35)20-39(42)21-28(25)36)23-10-12-29(43-3)31(16-23)44-4/h5-13,16,20-21,26,30,37H,14-15,17-19H2,1-4H3/t26?,30-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354681
PNG
(US9809582, Example 26 | US9809582, Example 27)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354660
PNG
(US9809582, Example 2)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C39H41Cl2N3O7/c1-48-34-13-12-29(18-36(34)49-2)35(19-30-32(40)22-44(47)23-33(30)41)50-38(45)28-10-8-25(9-11-28)20-42-21-31(26-6-4-3-5-7-26)39(46)51-37-24-43-16-14-27(37)15-17-43/h3-13,18,22-23,27,31,35,37,42H,14-17,19-21,24H2,1-2H3/t31?,35-,37-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354662
PNG
(US9809582, Example 4)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-24(19-39)46-34(41)27(22-7-5-4-6-8-22)18-38-17-25-10-12-33(48-25)35(42)47-31(16-26-28(36)20-40(43)21-29(26)37)23-9-11-30(44-2)32(15-23)45-3/h4-12,15,20-21,24,27,31,38H,13-14,16-19H2,1-3H3/t24-,27?,31+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354681
PNG
(US9809582, Example 26 | US9809582, Example 27)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354660
PNG
(US9809582, Example 2)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C39H41Cl2N3O7/c1-48-34-13-12-29(18-36(34)49-2)35(19-30-32(40)22-44(47)23-33(30)41)50-38(45)28-10-8-25(9-11-28)20-42-21-31(26-6-4-3-5-7-26)39(46)51-37-24-43-16-14-27(37)15-17-43/h3-13,18,22-23,27,31,35,37,42H,14-17,19-21,24H2,1-2H3/t31?,35-,37-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354669
PNG
(US9809582, Example 12)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CCN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1
Show InChI InChI=1S/C43H47Cl2N3O7/c1-52-37-13-12-32(24-39(37)53-2)38(25-34-35(44)26-48(51)27-36(34)45)54-41(49)31-10-8-29(9-11-31)14-19-46-22-17-43(18-23-46,33-6-4-3-5-7-33)42(50)55-40-28-47-20-15-30(40)16-21-47/h3-13,24,26-27,30,38,40H,14-23,25,28H2,1-2H3/t38-,40-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354677
PNG
(US9809582, Example 21)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32+,34+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354672
PNG
(US9809582, Example 16)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H37Cl2N3O7S/c1-39-14-13-25(17-39)47-35(43)36(24-7-5-4-6-8-24)21-40(22-36)18-26-10-12-33(49-26)34(42)48-31(16-27-28(37)19-41(44)20-29(27)38)23-9-11-30(45-2)32(15-23)46-3/h4-12,15,19-20,25,31H,13-14,16-18,21-22H2,1-3H3/t25-,31+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354676
PNG
(Single diastereoisomers [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354667
PNG
(US9809582, Example 10)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354668
PNG
(US9809582, Example 11)
Show SMILES COc1ccc(cc1OC)[C@@H](OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)Oc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C41H43Cl2N3O8/c1-50-34-13-12-30(22-35(34)51-2)39(53-37-32(42)24-46(49)25-33(37)43)54-38(47)29-10-8-27(9-11-29)23-45-20-16-41(17-21-45,31-6-4-3-5-7-31)40(48)52-36-26-44-18-14-28(36)15-19-44/h3-13,22,24-25,28,36,39H,14-21,23,26H2,1-2H3/t36-,39+/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354672
PNG
(US9809582, Example 16)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H37Cl2N3O7S/c1-39-14-13-25(17-39)47-35(43)36(24-7-5-4-6-8-24)21-40(22-36)18-26-10-12-33(49-26)34(42)48-31(16-27-28(37)19-41(44)20-29(27)38)23-9-11-30(45-2)32(15-23)46-3/h4-12,15,19-20,25,31H,13-14,16-18,21-22H2,1-3H3/t25-,31+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354673
PNG
(US9809582, Example 17)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(O)(C(=O)O[C@H]2CN3CCC2CC3)c2cccs2)s1
Show InChI InChI=1S/C35H37Cl2N3O8S2/c1-45-27-7-5-22(14-29(27)46-2)28(15-24-25(36)17-40(44)18-26(24)37)47-33(41)31-8-6-23(50-31)16-38-20-35(43,32-4-3-13-49-32)34(42)48-30-19-39-11-9-21(30)10-12-39/h3-8,13-14,17-18,21,28,30,38,43H,9-12,15-16,19-20H2,1-2H3/t28-,30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354685
PNG
(US9809582, Example 30 | US9809582, Example 31)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354659
PNG
(US9809582, Example 1 | [(1S)-2-(3,5-dichloro-1-oxi...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28?,32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354671
PNG
(US9809582, Example 15)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H39Cl2N3O7S/c1-47-31-10-8-25(16-33(31)48-2)32(17-28-29(39)19-43(46)20-30(28)40)49-36(44)35-11-9-27(51-35)18-42-22-38(23-42,26-6-4-3-5-7-26)37(45)50-34-21-41-14-12-24(34)13-15-41/h3-11,16,19-20,24,32,34H,12-15,17-18,21-23H2,1-2H3/t32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354685
PNG
(US9809582, Example 30 | US9809582, Example 31)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354661
PNG
(US9809582, Example 3)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-10-8-27(20-35(33)50-2)34(21-30-31(41)23-45(48)24-32(30)42)51-38(46)37-11-9-29(53-37)22-44-18-14-40(15-19-44,28-6-4-3-5-7-28)39(47)52-36-25-43-16-12-26(36)13-17-43/h3-11,20,23-24,26,34,36H,12-19,21-22,25H2,1-2H3/t34-,36-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354661
PNG
(US9809582, Example 3)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-10-8-27(20-35(33)50-2)34(21-30-31(41)23-45(48)24-32(30)42)51-38(46)37-11-9-29(53-37)22-44-18-14-40(15-19-44,28-6-4-3-5-7-28)39(47)52-36-25-43-16-12-26(36)13-17-43/h3-11,20,23-24,26,34,36H,12-19,21-22,25H2,1-2H3/t34-,36-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354667
PNG
(US9809582, Example 10)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354677
PNG
(US9809582, Example 21)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@H](C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28-,32+,34+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354678
PNG
(US9809582, Example 22)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C34H37Cl2N3O7S/c1-38(2)14-15-45-33(40)26(22-8-6-5-7-9-22)19-37-18-24-11-13-32(47-24)34(41)46-30(17-25-27(35)20-39(42)21-28(25)36)23-10-12-29(43-3)31(16-23)44-4/h5-13,16,20-21,26,30,37H,14-15,17-19H2,1-4H3/t26?,30-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354681
PNG
(US9809582, Example 26 | US9809582, Example 27)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CN(C)CC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-39(27-8-6-5-7-9-27,38(46)51-35-23-43-16-14-25(35)15-17-43)24-42(2)20-28-11-13-36(52-28)37(45)50-33(19-29-30(40)21-44(47)22-31(29)41)26-10-12-32(48-3)34(18-26)49-4/h5-13,18,21-22,25,33,35H,14-17,19-20,23-24H2,1-4H3/t33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354688
PNG
(US9809582, Example 33 | US9809582, Example 36 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C39H41Cl2N3O7S/c1-48-32-10-8-25(16-34(32)49-2)33(17-29-30(40)21-44(47)22-31(29)41)50-37(45)36-11-9-28(52-36)20-42-27-18-39(19-27,26-6-4-3-5-7-26)38(46)51-35-23-43-14-12-24(35)13-15-43/h3-11,16,21-22,24,27,33,35,42H,12-15,17-20,23H2,1-2H3/t27?,33-,35-,39?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354659
PNG
(US9809582, Example 1 | [(1S)-2-(3,5-dichloro-1-oxi...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-27-29(38)20-42(45)21-30(27)39)48-37(44)35-11-9-26(50-35)18-40-19-28(23-6-4-3-5-7-23)36(43)49-34-22-41-14-12-24(34)13-15-41/h3-11,16,20-21,24,28,32,34,40H,12-15,17-19,22H2,1-2H3/t28?,32-,34-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354674
PNG
(Single diastereoisomers of [(1S)-2-(3,5-dichloro-1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37-/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
cAMP-specific 3',5'-cyclic phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM354675
PNG
(US9809582, Example 19)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC[C@](O)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O8S/c1-47-30-10-8-24(16-32(30)48-2)31(17-27-28(38)19-42(46)20-29(27)39)49-35(43)34-11-9-26(51-34)18-40-22-37(45,25-6-4-3-5-7-25)36(44)50-33-21-41-14-12-23(33)13-15-41/h3-11,16,19-20,23,31,33,40,45H,12-15,17-18,21-22H2,1-2H3/t31-,33-,37+/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
PDE4B2 activity is detected using the LANCE Ultra cAMP homogeneous time resolved fluorescence resonance energy transfer (TR-FRET) assay from Perkin E...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354662
PNG
(US9809582, Example 4)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C(=O)O[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-24(19-39)46-34(41)27(22-7-5-4-6-8-22)18-38-17-25-10-12-33(48-25)35(42)47-31(16-26-28(36)20-40(43)21-29(26)37)23-9-11-30(44-2)32(15-23)45-3/h4-12,15,20-21,24,27,31,38H,13-14,16-19H2,1-3H3/t24-,27?,31+/m1/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354668
PNG
(US9809582, Example 11)
Show SMILES COc1ccc(cc1OC)[C@@H](OC(=O)c1ccc(CN2CCC(CC2)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)cc1)Oc1c(Cl)c[n+]([O-])cc1Cl
Show InChI InChI=1S/C41H43Cl2N3O8/c1-50-34-13-12-30(22-35(34)51-2)39(53-37-32(42)24-46(49)25-33(37)43)54-38(47)29-10-8-27(9-11-29)23-45-20-16-41(17-21-45,31-6-4-3-5-7-31)40(48)52-36-26-44-18-14-28(36)15-19-44/h3-13,22,24-25,28,36,39H,14-21,23,26H2,1-2H3/t36-,39+/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354685
PNG
(US9809582, Example 30 | US9809582, Example 31)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)O[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-38(26-7-5-4-6-8-26,37(45)50-34-22-42-15-13-24(34)14-16-42)23-41-19-27-10-12-35(51-27)36(44)49-32(18-28-29(39)20-43(46)21-30(28)40)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,34,41H,13-16,18-19,22-23H2,1-3H3/t32-,34-,38?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354665
PNG
(US9809582, Example 24 | US9809582, Example 25 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(25-8-6-5-7-9-25,36(44)48-26-14-16-41(2)17-15-26)23-40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)24-10-12-31(46-3)33(18-24)47-4/h5-13,18,21-22,26,32,40H,14-17,19-20,23H2,1-4H3/t32-,37?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354666
PNG
(US9809582, Example 28 | US9809582, Example 29 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNCC(C)(C(=O)OCCN(C)C)c2ccccc2)s1
Show InChI InChI=1S/C35H39Cl2N3O7S/c1-35(24-9-7-6-8-10-24,34(42)46-16-15-39(2)3)22-38-19-25-12-14-32(48-25)33(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-11-13-29(44-4)31(17-23)45-5/h6-14,17,20-21,30,38H,15-16,18-19,22H2,1-5H3/t30-,35?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM354687
PNG
(US9809582, Example 32 | US9809582, Example 34 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2CC(C2)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-15-13-27(14-16-42)49-37(45)38(25-7-5-4-6-8-25)19-26(20-38)41-21-28-10-12-35(51-28)36(44)50-33(18-29-30(39)22-43(46)23-31(29)40)24-9-11-32(47-2)34(17-24)48-3/h4-12,17,22-23,26-27,33,41H,13-16,18-21H2,1-3H3/t26?,33-,38?/m0/s1
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n/an/a 55n/an/an/an/an/an/a



CHIESI FARMACEUTICI S.p.A.

US Patent


Assay Description
Human M3 receptor membranes (15 μg/well) from Perkin Elmer are incubated with 0.52 nM Scopolamine Methyl Chloride, [N-methyl-3H] with or without...


US Patent US9809582 (2017)


BindingDB Entry DOI: 10.7270/Q2H1345N
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%