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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°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325631
PNG
(US9636336, Example 22 | US9636336, Example 85 | [(...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCCN2CCCCC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-45-30-13-11-25(19-32(30)46-2)31(20-27-28(37)22-41(44)23-29(27)38)48-35(42)33-14-12-26(49-33)21-39-34(24-9-5-3-6-10-24)36(43)47-18-17-40-15-7-4-8-16-40/h3,5-6,9-14,19,22-23,31,34,39H,4,7-8,15-18,20-21H2,1-2H3/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))
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
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))
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
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))
BDBM325617
PNG
(US9636336, Example 7 | [(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)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-41-15-13-24(14-16-41)23-48-36(43)29(25-7-5-4-6-8-25)20-40-19-27-10-12-35(50-27)37(44)49-33(18-28-30(38)21-42(45)22-31(28)39)26-9-11-32(46-2)34(17-26)47-3/h4-12,17,21-22,24,29,33,40H,13-16,18-20,23H2,1-3H3/t29?,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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325630
PNG
(US9636336, Example 21 | US9636336, Example 83 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCCN2CCCC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-44-29-12-10-24(18-31(29)45-2)30(19-26-27(36)21-40(43)22-28(26)37)47-34(41)32-13-11-25(48-32)20-38-33(23-8-4-3-5-9-23)35(42)46-17-16-39-14-6-7-15-39/h3-5,8-13,18,21-22,30,33,38H,6-7,14-17,19-20H2,1-2H3/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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325638
PNG
(US9636336, Example 29 | [(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]2CN(C)CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C36H40Cl2N4O7S/c1-40-14-15-41(2)25(19-40)22-48-36(44)34(23-8-6-5-7-9-23)39-18-26-11-13-33(50-26)35(43)49-31(17-27-28(37)20-42(45)21-29(27)38)24-10-12-30(46-3)32(16-24)47-4/h5-13,16,20-21,25,31,34,39H,14-15,17-19,22H2,1-4H3/t25-,31+,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 US9636336 (2017)

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


(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
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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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))
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
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))
BDBM325611
PNG
(US9636336, 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(O)(C(=O)OCC2CCN(C)CC2)c2cccs2)s1
Show InChI InChI=1S/C35H39Cl2N3O8S2/c1-39-12-10-22(11-13-39)20-47-34(42)35(43,32-5-4-14-49-32)21-38-17-24-7-9-31(50-24)33(41)48-29(16-25-26(36)18-40(44)19-27(25)37)23-6-8-28(45-2)30(15-23)46-3/h4-9,14-15,18-19,22,29,38,43H,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
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))
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
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))
BDBM325653
PNG
(US9636336, Example 47 | US9636336, Example 48 | [1...)
Show SMILES COc1ccc(cc1OCC1CC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2cccc(O)c2)s1
Show InChI InChI=1S/C39H43Cl2N3O8S/c1-43-14-12-25(13-15-43)23-51-39(47)37(27-4-3-5-28(45)16-27)42-19-29-9-11-36(53-29)38(46)52-34(18-30-31(40)20-44(48)21-32(30)41)26-8-10-33(49-2)35(17-26)50-22-24-6-7-24/h3-5,8-11,16-17,20-21,24-25,34,37,42,45H,6-7,12-15,18-19,22-23H2,1-2H3
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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))
BDBM325615
PNG
(US9636336, Example 5 | US9636336, Example 57 | US9...)
Show SMILES COc1ccc(cc1OC1CCCC1)C(Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C40H45Cl2N3O7S/c1-44-18-16-26(17-19-44)25-50-40(47)38(27-8-4-3-5-9-27)43-22-30-13-15-37(53-30)39(46)52-35(21-31-32(41)23-45(48)24-33(31)42)28-12-14-34(49-2)36(20-28)51-29-10-6-7-11-29/h3-5,8-9,12-15,20,23-24,26,29,35,38,43H,6-7,10-11,16-19,21-22,25H2,1-2H3
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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))
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
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))
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
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))
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
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))
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
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))
BDBM325619
PNG
(US9636336, Example 62 | US9636336, Example 9 | [(1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C2CCCCC2)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C36H45Cl2N3O7S/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/h9-12,17,20-21,23-24,31,34,39H,4-8,13-16,18-19,22H2,1-3H3/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))
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
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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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))
BDBM325612
PNG
(US9636336, Example 2 | US9636336, Example 52 | [(1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2(C)CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(14-16-41(2)17-15-37)23-48-36(44)34(24-8-6-5-7-9-24)40-20-26-11-13-33(50-26)35(43)49-31(19-27-28(38)21-42(45)22-29(27)39)25-10-12-30(46-3)32(18-25)47-4/h5-13,18,21-22,31,34,40H,14-17,19-20,23H2,1-4H3/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))
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
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))
BDBM325640
PNG
(US9636336, Example 31 | [(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)OCC2CCCCN2C)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
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))
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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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))
BDBM325710
PNG
(US9636336, Example 114 | [(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)OCC2C[C@@H]3CC[C@H](C2)N3C)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2N3O7S/c1-42-26-10-11-27(42)16-23(15-26)22-49-38(45)36(24-7-5-4-6-8-24)41-19-28-12-14-35(51-28)37(44)50-33(18-29-30(39)20-43(46)21-31(29)40)25-9-13-32(47-2)34(17-25)48-3/h4-9,12-14,17,20-21,23,26-27,33,36,41H,10-11,15-16,18-19,22H2,1-3H3/t23?,26-,27+,33-,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))
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
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))
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
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))
BDBM325619
PNG
(US9636336, Example 62 | US9636336, Example 9 | [(1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C2CCCCC2)C(=O)OCC2CCN(C)CC2)s1
Show InChI InChI=1S/C36H45Cl2N3O7S/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/h9-12,17,20-21,23-24,31,34,39H,4-8,13-16,18-19,22H2,1-3H3/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))
BDBM325612
PNG
(US9636336, Example 2 | US9636336, Example 52 | [(1...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2(C)CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C37H41Cl2N3O7S/c1-37(14-16-41(2)17-15-37)23-48-36(44)34(24-8-6-5-7-9-24)40-20-26-11-13-33(50-26)35(43)49-31(19-27-28(38)21-42(45)22-29(27)39)25-10-12-30(46-3)32(18-25)47-4/h5-13,18,21-22,31,34,40H,14-17,19-20,23H2,1-4H3/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))
BDBM325626
PNG
(US9636336, Example 16 | US9636336, Example 73 | 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?/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))
BDBM325627
PNG
(US9636336, Example 17 | US9636336, Example 75 | 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?/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))
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
Muscarinic acetylcholine receptor M3


(Homo sapiens (Human))
BDBM325709
PNG
(US9636336, Example 113 | US9636336, Example 123 | ...)
Show SMILES COCCOc1cc(ccc1OC(F)F)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCC2CCN(C)CC2)c2ccccc2)s1
Show InChI InChI=1S/C38H41Cl2F2N3O8S/c1-44-14-12-24(13-15-44)23-51-37(47)35(25-6-4-3-5-7-25)43-20-27-9-11-34(54-27)36(46)52-32(19-28-29(39)21-45(48)22-30(28)40)26-8-10-31(53-38(41)42)33(18-26)50-17-16-49-2/h3-11,18,21-22,24,32,35,38,43H,12-17,19-20,23H2,1-2H3/t32-,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 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))
BDBM325631
PNG
(US9636336, Example 22 | US9636336, Example 85 | [(...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCCN2CCCCC2)c2ccccc2)s1
Show InChI InChI=1S/C36H39Cl2N3O7S/c1-45-30-13-11-25(19-32(30)46-2)31(20-27-28(37)22-41(44)23-29(27)38)48-35(42)33-14-12-26(49-33)21-39-34(24-9-5-3-6-10-24)36(43)47-18-17-40-15-7-4-8-16-40/h3,5-6,9-14,19,22-23,31,34,39H,4,7-8,15-18,20-21H2,1-2H3/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))
BDBM325649
PNG
(US9636336, Example 42 | [(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(CC2)C(C)C)c2ccccc2)s1
Show InChI InChI=1S/C38H43Cl2N3O7S/c1-24(2)42-16-14-25(15-17-42)23-49-38(45)36(26-8-6-5-7-9-26)41-20-28-11-13-35(51-28)37(44)50-33(19-29-30(39)21-43(46)22-31(29)40)27-10-12-32(47-3)34(18-27)48-4/h5-13,18,21-22,24-25,33,36,41H,14-17,19-20,23H2,1-4H3/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))
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
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))
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
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))
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))
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
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))
BDBM325641
PNG
(US9636336, Example 32 | [(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]2CN(C)CCN2C)c2ccccc2)s1
Show InChI InChI=1S/C36H40Cl2N4O7S/c1-40-14-15-41(2)25(19-40)22-48-36(44)34(23-8-6-5-7-9-23)39-18-26-11-13-33(50-26)35(43)49-31(17-27-28(37)20-42(45)21-29(27)38)24-10-12-30(46-3)32(16-24)47-4/h5-13,16,20-21,25,31,34,39H,14-15,17-19,22H2,1-4H3/t25-,31-,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))
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
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))
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
Muscarinic acetylcholine receptor M3


(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
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))
BDBM325623
PNG
(US9636336, Example 13 | US9636336, Example 69 | US...)
Show SMILES CN1CCC(COC(=O)C(NCc2ccc(s2)C(=O)O[C@@H](Cc2c(Cl)c[n+]([O-])cc2Cl)c2ccc(OC(F)F)c(OCC3CC3)c2)c2ccccc2)CC1
Show InChI InChI=1S/C39H41Cl2F2N3O7S/c1-45-15-13-25(14-16-45)23-51-38(48)36(26-5-3-2-4-6-26)44-19-28-10-12-35(54-28)37(47)52-33(18-29-30(40)20-46(49)21-31(29)41)27-9-11-32(53-39(42)43)34(17-27)50-22-24-7-8-24/h2-6,9-12,17,20-21,24-25,33,36,39,44H,7-8,13-16,18-19,22-23H2,1H3/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))
BDBM325684
PNG
(US9636336, Example 82 | [(1S)-2-(3,5-dichloro-1-ox...)
Show SMILES COCCN1CCC(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/C38H43Cl2N3O8S/c1-47-18-17-42-15-13-25(14-16-42)24-50-38(45)36(26-7-5-4-6-8-26)41-21-28-10-12-35(52-28)37(44)51-33(20-29-30(39)22-43(46)23-31(29)40)27-9-11-32(48-2)34(19-27)49-3/h4-12,19,22-23,25,33,36,41H,13-18,20-21,24H2,1-3H3/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))
BDBM325630
PNG
(US9636336, Example 21 | US9636336, Example 83 | US...)
Show SMILES COc1ccc(cc1OC)[C@H](Cc1c(Cl)c[n+]([O-])cc1Cl)OC(=O)c1ccc(CNC(C(=O)OCCN2CCCC2)c2ccccc2)s1
Show InChI InChI=1S/C35H37Cl2N3O7S/c1-44-29-12-10-24(18-31(29)45-2)30(19-26-27(36)21-40(43)22-28(26)37)47-34(41)32-13-11-25(48-32)20-38-33(23-8-4-3-5-9-23)35(42)46-17-16-39-14-6-7-15-39/h3-5,8-13,18,21-22,30,33,38H,6-7,14-17,19-20H2,1-2H3/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
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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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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