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Patent code US9636336

Compile Data Set for Download or QSAR

Found 248 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325610
PNG
(US9636336, Example 105c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-15-13-25(14-16-40)48-35(44)36(22-42,24-7-5-4-6-8-24)39-19-26-10-12-33(50-26)34(43)49-31(18-27-28(37)20-41(45)21-29(27)38)23-9-11-30(46-2)32(17-23)47-3/h4-12,17,20-21,25,31,39,42H,13-16,18-19,22H2,1-3H3/t31-,36?/m0/s1
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0.230n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325606
PNG
(US9636336, Example 87c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-15-13-24(14-16-39)46-35(42)33(22-7-5-4-6-8-22)38-19-25-10-12-32(48-25)34(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-9-11-29(44-2)31(17-23)45-3/h4-12,17,20-21,24,30,33,38H,13-16,18-19H2,1-3H3/t30-,33?/m0/s1
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0.300n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325608
PNG
(US9636336, Example 78c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)O[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(18-38)45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)19-39(42)20-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,19-20,23,29,32,37H,13-14,16-18H2,1-3H3/t23-,29-,32?/m0/s1
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0.540n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325607
PNG
(US9636336, Example 18 | US9636336, Example 77 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/m0/s1
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0.590n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325605
PNG
(US9636336, Example 23 | US9636336, Example 86 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-13-23(14-16-40)22-47-36(43)34(24-7-5-4-6-8-24)39-19-26-10-12-33(49-26)35(42)48-31(18-27-28(37)20-41(44)21-29(27)38)25-9-11-30(45-2)32(17-25)46-3/h4-12,17,20-21,23,31,34,39H,13-16,18-19,22H2,1-3H3/t31-,34?/m0/s1
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0.700n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325609
PNG
(US9636336, Example 105 | US9636336, Example 106 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-15-13-24(14-16-41)22-49-36(45)37(23-43,26-7-5-4-6-8-26)40-19-27-10-12-34(51-27)35(44)50-32(18-28-29(38)20-42(46)21-30(28)39)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,40,43H,13-16,18-19,22-23H2,1-3H3/t32-,37?/m0/s1
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0.850n/an/an/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325610
PNG
(US9636336, Example 105c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-15-13-25(14-16-40)48-35(44)36(22-42,24-7-5-4-6-8-24)39-19-26-10-12-33(50-26)34(43)49-31(18-27-28(37)20-41(45)21-29(27)38)23-9-11-30(46-2)32(17-23)47-3/h4-12,17,20-21,25,31,39,42H,13-16,18-19,22H2,1-3H3/t31-,36?/m0/s1
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n/an/a 0.450n/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325606
PNG
(US9636336, Example 87c)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-15-13-24(14-16-39)46-35(42)33(22-7-5-4-6-8-22)38-19-25-10-12-32(48-25)34(41)47-30(18-26-27(36)20-40(43)21-28(26)37)23-9-11-29(44-2)31(17-23)45-3/h4-12,17,20-21,24,30,33,38H,13-16,18-19H2,1-3H3/t30-,33?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325620
PNG
(US9636336, Example 10 | US9636336, Example 63 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-28-29(38)20-42(45)21-30(28)39)49-36(43)34-11-9-27(50-34)18-40-35(24-6-4-3-5-7-24)37(44)48-22-26-19-41-14-12-23(26)13-15-41/h3-11,16,20-21,23,26,32,35,40H,12-15,17-19,22H2,1-2H3/t26-,32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325629
PNG
(US9636336, Example 19 | US9636336, Example 79 | US...)
Show SMILES CCN1CCC(COC(=O)C(NCc2ccc(s2)C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)c2ccccc2)CC1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-41-16-14-24(15-17-41)23-48-37(44)35(25-8-6-5-7-9-25)40-20-27-11-13-34(50-27)36(43)49-32(19-28-29(38)21-42(45)22-30(28)39)26-10-12-31(46-2)33(18-26)47-3/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3/t32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,34?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325643
PNG
(US9636336, Example 103 | US9636336, Example 104 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C)(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(26-8-6-5-7-9-26,36(44)48-23-24-14-16-41(2)17-15-24)40-20-27-11-13-34(50-27)35(43)49-32(19-28-29(38)21-42(45)22-30(28)39)25-10-12-31(46-3)33(18-25)47-4/h5-13,18,21-22,24,32,40H,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325645
PNG
(US9636336, Example 107 | US9636336, Example 108 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1csc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)c1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-13-11-23(12-14-40)21-47-36(43)34(24-7-5-4-6-8-24)39-18-27-15-26(22-49-27)35(42)48-32(17-28-29(37)19-41(44)20-30(28)38)25-9-10-31(45-2)33(16-25)46-3/h4-10,15-16,19-20,22-23,32,34,39H,11-14,17-18,21H2,1-3H3/t32-,34?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325647
PNG
(US9636336, Example 111 | US9636336, Example 112 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC2(CCc3ccccc23)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-16-13-24(14-17-42)23-49-37(45)38(15-12-25-6-4-5-7-29(25)38)41-20-27-9-11-35(51-27)36(44)50-33(19-28-30(39)21-43(46)22-31(28)40)26-8-10-32(47-2)34(18-26)48-3/h4-11,18,21-22,24,33,41H,12-17,19-20,23H2,1-3H3/t33-,38?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325716
PNG
(US9636336, Example 120 | US9636336, Example 125 | ...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-4-48-33-17-24(8-10-31(33)47-3)32(18-28-29(38)20-42(46)21-30(28)39)50-36(44)34-11-9-27(51-34)19-40-35(25-6-5-7-26(43)16-25)37(45)49-22-23-12-14-41(2)15-13-23/h5-11,16-17,20-21,23,32,35,40,43H,4,12-15,18-19,22H2,1-3H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325618
PNG
(US9636336, Example 8 | [1-[3-(cyclopropylmethoxy)-...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1cc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)sc1C([O-])=O
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-50-34-10-9-27(17-35(34)51-23-25-7-8-25)29(19-31-32(41)21-45(49)22-33(31)42)30-18-28(53-37(30)38(46)47)20-43-36(26-5-3-2-4-6-26)39(48)52-24-40-11-14-44(15-12-40)16-13-40/h2-6,9-10,17-18,21-22,25,29,36,43H,7-8,11-16,19-20,23-24H2,1H3,(H,46,47)/p-1
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325637
PNG
(US9636336, Example 28 | US9636336, Example 94 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(38)20-45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)18-39(42)19-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,18-19,23,29,32,37H,13-14,16-17,20H2,1-3H3/t23-,29+,32?/m1/s1
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n/an/a<1n/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325624
PNG
(US9636336, Example 14 | US9636336, Example 49 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CCCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-7-8-23(19-40)22-47-36(43)34(24-9-5-4-6-10-24)39-18-26-12-14-33(49-26)35(42)48-31(17-27-28(37)20-41(44)21-29(27)38)25-11-13-30(45-2)32(16-25)46-3/h4-6,9-14,16,20-21,23,31,34,39H,7-8,15,17-19,22H2,1-3H3/t23-,31+,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325664
PNG
(US9636336, Example 59 | US9636336, Example 60 | [1...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)s1
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-11-9-28(19-35(33)50-24-26-7-8-26)34(20-30-31(41)22-45(48)23-32(30)42)52-38(46)36-12-10-29(53-36)21-43-37(27-5-3-2-4-6-27)39(47)51-25-40-13-16-44(17-14-40)18-15-40/h2-6,9-12,19,22-23,26,34,37,43H,7-8,13-18,20-21,24-25H2,1H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325620
PNG
(US9636336, Example 10 | US9636336, Example 63 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-28-29(38)20-42(45)21-30(28)39)49-36(43)34-11-9-27(50-34)18-40-35(24-6-4-3-5-7-24)37(44)48-22-26-19-41-14-12-23(26)13-15-41/h3-11,16,20-21,23,26,32,35,40H,12-15,17-19,22H2,1-2H3/t26-,32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325625
PNG
(US9636336, Example 15 | US9636336, Example 71 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCCN2C)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-15-7-10-24(39)21-46-35(42)33(22-8-5-4-6-9-22)38-18-25-12-14-32(48-25)34(41)47-30(17-26-27(36)19-40(43)20-28(26)37)23-11-13-29(44-2)31(16-23)45-3/h4-6,8-9,11-14,16,19-20,24,30,33,38H,7,10,15,17-18,21H2,1-3H3/t24-,30+,33?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325633
PNG
(US9636336, Example 24 | US9636336, Example 88 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2F)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-14-12-22(13-15-41)21-48-36(44)34(25-6-4-5-7-29(25)39)40-18-24-9-11-33(50-24)35(43)49-31(17-26-27(37)19-42(45)20-28(26)38)23-8-10-30(46-2)32(16-23)47-3/h4-11,16,19-20,22,31,34,40H,12-15,17-18,21H2,1-3H3/t31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325639
PNG
(US9636336, Example 30 | US9636336, Example 97 | [(...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCCCN2C)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-16-8-7-11-25(40)22-47-36(43)34(23-9-5-4-6-10-23)39-19-26-13-15-33(49-26)35(42)48-31(18-27-28(37)20-41(44)21-29(27)38)24-12-14-30(45-2)32(17-24)46-3/h4-6,9-10,12-15,17,20-21,25,31,34,39H,7-8,11,16,18-19,22H2,1-3H3/t25-,31+,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325645
PNG
(US9636336, Example 107 | US9636336, Example 108 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1csc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)c1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-13-11-23(12-14-40)21-47-36(43)34(24-7-5-4-6-8-24)39-18-27-15-26(22-49-27)35(42)48-32(17-28-29(37)19-41(44)20-30(28)38)25-9-10-31(45-2)33(16-25)46-3/h4-10,15-16,19-20,22-23,32,34,39H,11-14,17-18,21H2,1-3H3/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325646
PNG
(US9636336, Example 109 | US9636336, Example 37 | [...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OCC2CCN(C)CC2)c2cccs2)s1
Show InChI InChI=1S/C35H39Cl2N3O8S2/c1-39-12-10-22(11-13-39)20-47-34(43)35(21-41,32-5-4-14-49-32)38-17-24-7-9-31(50-24)33(42)48-29(16-25-26(36)18-40(44)19-27(25)37)23-6-8-28(45-2)30(15-23)46-3/h4-9,14-15,18-19,22,29,38,41H,10-13,16-17,20-21H2,1-3H3/t29-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325714
PNG
(US9636336, Example 118 | [(1S)-2-(3,5-dichloro-1-o...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2OC)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-15-13-23(14-16-41)22-49-37(44)35(26-7-5-6-8-30(26)46-2)40-19-25-10-12-34(51-25)36(43)50-32(18-27-28(38)20-42(45)21-29(27)39)24-9-11-31(47-3)33(17-24)48-4/h5-12,17,20-21,23,32,35,40H,13-16,18-19,22H2,1-4H3/t32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325711
PNG
(US9636336, Example 115 | US9636336, Example 126 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325712
PNG
(US9636336, Example 116 | US9636336, Example 128 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OC[C@@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-14-13-23(18-40)21-48-35(44)36(22-42,25-7-5-4-6-8-25)39-17-26-10-12-33(50-26)34(43)49-31(16-27-28(37)19-41(45)20-29(27)38)24-9-11-30(46-2)32(15-24)47-3/h4-12,15,19-20,23,31,39,42H,13-14,16-18,21-22H2,1-3H3/t23-,31+,36?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325642
PNG
(US9636336, Example 101 | US9636336, Example 102 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-30-10-8-25(18-32(30)47-2)31(19-27-28(38)21-42(45)22-29(27)39)49-35(43)33-11-9-26(50-33)20-40-34(24-6-4-3-5-7-24)36(44)48-23-37-12-15-41(16-13-37)17-14-37/h3-11,18,21-22,31,34,40H,12-17,19-20,23H2,1-2H3/t31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325650
PNG
(US9636336, Example 44 | US9636336, Example 45 | [(...)
Show SMILES [O-][n+]1cc(Cl)c(C[C@H](OC(=O)c2ccc(CNC(C(=O)OCC34CCN(CC3)CC4)c3ccccc3)s2)c2ccc(OC(F)F)c(OCC3CC3)c2)c(Cl)c1
Show InChI InChI=1S/C40H41Cl2F2N3O7S/c41-30-21-47(50)22-31(42)29(30)19-33(27-8-10-32(54-39(43)44)34(18-27)51-23-25-6-7-25)53-37(48)35-11-9-28(55-35)20-45-36(26-4-2-1-3-5-26)38(49)52-24-40-12-15-46(16-13-40)17-14-40/h1-5,8-11,18,21-22,25,33,36,39,45H,6-7,12-17,19-20,23-24H2/t33-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325637
PNG
(US9636336, Example 28 | US9636336, Example 94 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(38)20-45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)18-39(42)19-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,18-19,23,29,32,37H,13-14,16-17,20H2,1-3H3/t23-,29+,32?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325618
PNG
(US9636336, Example 8 | [1-[3-(cyclopropylmethoxy)-...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)c1cc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)sc1C([O-])=O
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-50-34-10-9-27(17-35(34)51-23-25-7-8-25)29(19-31-32(41)21-45(49)22-33(31)42)30-18-28(53-37(30)38(46)47)20-43-36(26-5-3-2-4-6-26)39(48)52-24-40-11-14-44(15-12-40)16-13-40/h2-6,9-10,17-18,21-22,25,29,36,43H,7-8,11-16,19-20,23-24H2,1H3,(H,46,47)/p-1
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325664
PNG
(US9636336, Example 59 | US9636336, Example 60 | [1...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)s1
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-11-9-28(19-35(33)50-24-26-7-8-26)34(20-30-31(41)22-45(48)23-32(30)42)52-38(46)36-12-10-29(53-36)21-43-37(27-5-3-2-4-6-27)39(47)51-25-40-13-16-44(17-14-40)18-15-40/h2-6,9-12,19,22-23,26,34,37,43H,7-8,13-18,20-21,24-25H2,1H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325607
PNG
(US9636336, Example 18 | US9636336, Example 77 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-39-14-13-22(18-39)21-46-35(42)33(23-7-5-4-6-8-23)38-17-25-10-12-32(48-25)34(41)47-30(16-26-27(36)19-40(43)20-28(26)37)24-9-11-29(44-2)31(15-24)45-3/h4-12,15,19-20,22,30,33,38H,13-14,16-18,21H2,1-3H3/t22-,30-,33?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325629
PNG
(US9636336, Example 19 | US9636336, Example 79 | US...)
Show SMILES CCN1CCC(COC(=O)C(NCc2ccc(s2)C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)c2ccccc2)CC1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-41-16-14-24(15-17-41)23-48-37(44)35(25-8-6-5-7-9-25)40-20-27-11-13-34(50-27)36(43)49-32(19-28-29(38)21-42(45)22-30(28)39)26-10-12-31(46-2)33(18-26)47-3/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3/t32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325635
PNG
(US9636336, Example 26 | US9636336, Example 91 | [(...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CCCN(C)C2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-15-7-8-23(19-40)22-47-36(43)34(24-9-5-4-6-10-24)39-18-26-12-14-33(49-26)35(42)48-31(17-27-28(37)20-41(44)21-29(27)38)25-11-13-30(45-2)32(16-25)46-3/h4-6,9-14,16,20-21,23,31,34,39H,7-8,15,17-19,22H2,1-3H3/t23-,31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325636
PNG
(US9636336, Example 27 | US9636336, Example 92 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C34H35Cl2N3O7S/c1-38-14-13-23(38)20-45-34(41)32(21-7-5-4-6-8-21)37-17-24-10-12-31(47-24)33(40)46-29(16-25-26(35)18-39(42)19-27(25)36)22-9-11-28(43-2)30(15-22)44-3/h4-12,15,18-19,23,29,32,37H,13-14,16-17,20H2,1-3H3/t23-,29-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325698
PNG
(US9636336, Example 99 | [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@@H]2CCCCN2C)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-40-16-8-7-11-25(40)22-47-36(43)34(23-9-5-4-6-10-23)39-19-26-13-15-33(49-26)35(42)48-31(18-27-28(37)20-41(44)21-29(27)38)24-12-14-30(45-2)32(17-24)46-3/h4-6,9-10,12-15,17,20-21,25,31,34,39H,7-8,11,16,18-19,22H2,1-3H3/t25-,31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325642
PNG
(US9636336, Example 101 | US9636336, Example 102 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-30-10-8-25(18-32(30)47-2)31(19-27-28(38)21-42(45)22-29(27)39)49-35(43)33-11-9-26(50-33)20-40-34(24-6-4-3-5-7-24)36(44)48-23-37-12-15-41(16-13-37)17-14-37/h3-11,18,21-22,31,34,40H,12-17,19-20,23H2,1-2H3/t31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325621
PNG
(US9636336, Example 11 | US9636336, Example 65 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OC[C@H]2CN3CCC2CC3)c2ccccc2)s1
Show InChI InChI=1S/C37H39Cl2N3O7S/c1-46-31-10-8-25(16-33(31)47-2)32(17-28-29(38)20-42(45)21-30(28)39)49-36(43)34-11-9-27(50-34)18-40-35(24-6-4-3-5-7-24)37(44)48-22-26-19-41-14-12-23(26)13-15-41/h3-11,16,20-21,23,26,32,35,40H,12-15,17-19,22H2,1-2H3/t26-,32+,35?/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325646
PNG
(US9636336, Example 109 | US9636336, Example 37 | [...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OCC2CCN(C)CC2)c2cccs2)s1
Show InChI InChI=1S/C35H39Cl2N3O8S2/c1-39-12-10-22(11-13-39)20-47-34(43)35(21-41,32-5-4-14-49-32)38-17-24-7-9-31(50-24)33(42)48-29(16-25-26(36)18-40(44)19-27(25)37)23-6-8-28(45-2)30(15-23)46-3/h4-9,14-15,18-19,22,29,38,41H,10-13,16-17,20-21H2,1-3H3/t29-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325614
PNG
(US9636336, Example 4 | US9636336, Example 55 | US9...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C39H43Cl2N3O7S/c1-43-16-14-26(15-17-43)24-50-39(46)37(27-6-4-3-5-7-27)42-20-29-11-13-36(52-29)38(45)51-34(19-30-31(40)21-44(47)22-32(30)41)28-10-12-33(48-2)35(18-28)49-23-25-8-9-25/h3-7,10-13,18,21-22,25-26,34,37,42H,8-9,14-17,19-20,23-24H2,1-2H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325664
PNG
(US9636336, Example 59 | US9636336, Example 60 | [1...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC23CCN(CC2)CC3)c2ccccc2)s1
Show InChI InChI=1S/C40H43Cl2N3O7S/c1-49-33-11-9-28(19-35(33)50-24-26-7-8-26)34(20-30-31(41)22-45(48)23-32(30)42)52-38(46)36-12-10-29(53-36)21-43-37(27-5-3-2-4-6-27)39(47)51-25-40-13-16-44(17-14-40)18-15-40/h2-6,9-12,19,22-23,26,34,37,43H,7-8,13-18,20-21,24-25H2,1H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325622
PNG
(US9636336, Example 12 | US9636336, Example 67 | US...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-47-33-18-26(10-12-31(33)46-3)32(19-28-29(38)21-42(45)22-30(28)39)49-36(43)34-13-11-27(50-34)20-40-35(25-8-6-5-7-9-25)37(44)48-23-24-14-16-41(2)17-15-24/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325715
PNG
(US9636336, Example 119 | US9636336, Example 121 | ...)
Show SMILES COc1cccc(c1)C(NCc1ccc(s1)C(=O)O[C@@H](Cc1c(Cl)c[n+]([O-])cc1Cl)c1ccc(OC)c(OC)c1)C(=O)OCC1CCN(C)CC1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-14-12-23(13-15-41)22-49-37(44)35(25-6-5-7-26(16-25)46-2)40-19-27-9-11-34(51-27)36(43)50-32(18-28-29(38)20-42(45)21-30(28)39)24-8-10-31(47-3)33(17-24)48-4/h5-11,16-17,20-21,23,32,35,40H,12-15,18-19,22H2,1-4H3/t32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325716
PNG
(US9636336, Example 120 | US9636336, Example 125 | ...)
Show SMILES CCOc1cc(ccc1OC)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-4-48-33-17-24(8-10-31(33)47-3)32(18-28-29(38)20-42(46)21-30(28)39)50-36(44)34-11-9-27(51-34)19-40-35(25-6-5-7-26(43)16-25)37(45)49-22-23-12-14-41(2)15-13-23/h5-11,16-17,20-21,23,32,35,40,43H,4,12-15,18-19,22H2,1-3H3
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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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325629
PNG
(US9636336, Example 19 | US9636336, Example 79 | US...)
Show SMILES CCN1CCC(COC(=O)C(NCc2ccc(s2)C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC)c(OC)c2)c2ccccc2)CC1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-4-41-16-14-24(15-17-41)23-48-37(44)35(25-8-6-5-7-9-25)40-20-27-11-13-34(50-27)36(43)49-32(19-28-29(38)21-42(45)22-30(28)39)26-10-12-31(46-2)33(18-26)47-3/h5-13,18,21-22,24,32,35,40H,4,14-17,19-20,23H2,1-3H3/t32-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325609
PNG
(US9636336, Example 105 | US9636336, Example 106 | ...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(CO)(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O8S/c1-41-15-13-24(14-16-41)22-49-36(45)37(23-43,26-7-5-4-6-8-26)40-19-27-10-12-34(51-27)35(44)50-32(18-28-29(38)20-42(46)21-30(28)39)25-9-11-31(47-2)33(17-25)48-3/h4-12,17,20-21,24,32,40,43H,13-16,18-19,22-23H2,1-3H3/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 US9636336 (2017)

More data for this
Ligand-Target Pair
Phosphodiesterase 4B2


(Homo sapiens (Human))
BDBM325648
PNG
(US9636336, Example 41 | [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C36H39Cl2N3O8S/c1-40-13-11-22(12-14-40)21-48-36(44)34(24-5-4-6-25(42)15-24)39-18-26-8-10-33(50-26)35(43)49-31(17-27-28(37)19-41(45)20-29(27)38)23-7-9-30(46-2)32(16-23)47-3/h4-10,15-16,19-20,22,31,34,39,42H,11-14,17-18,21H2,1-3H3/t31-,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 US9636336 (2017)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325613
PNG
(US9636336, Example 3 | US9636336, Example 53 | US9...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2(F)CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C36H38Cl2FN3O7S/c1-41-15-13-36(39,14-16-41)22-48-35(44)33(23-7-5-4-6-8-23)40-19-25-10-12-32(50-25)34(43)49-30(18-26-27(37)20-42(45)21-28(26)38)24-9-11-29(46-2)31(17-24)47-3/h4-12,17,20-21,30,33,40H,13-16,18-19,22H2,1-3H3/t30-,33?/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 US9636336 (2017)

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