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Patent code US9828339

Compile Data Set for Download or QSAR

Found 224 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))		BDBM360269
PNG
((S)-(1-methyl- | US9828339, Example 174)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-9-3-6-16(23)12-25-19(24)22-18-8-7-15(21)11-17(18)13-4-2-5-14(20)10-13/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,22,24)/t16-/m0/s1
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 0.610n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360258
PNG
((S)-(1-methyl- | US9828339, Example 165)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C19H21ClN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
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 0.630n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360292
PNG
((S)-(1-methylpyrrolidin-2-yl)-methyl [1,1'-bipheny...)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C19H22N2O2/c1-21-13-7-10-16(21)14-23-19(22)20-18-12-6-5-11-17(18)15-8-3-2-4-9-15/h2-6,8-9,11-12,16H,7,10,13-14H2,1H3,(H,20,22)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360189
PNG
((S)-(1-ethylpyrrolidin-2-yl)methyl [1,1'-biphenyl]...)
Show SMILES CCN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-2-22-14-8-11-17(22)15-24-20(23)21-19-13-7-6-12-18(19)16-9-4-3-5-10-16/h3-7,9-10,12-13,17H,2,8,11,14-15H2,1H3,(H,21,23)/t17-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360294
PNG
((S)-(1-methyl- | US9828339, Example 199)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(C)c1
Show InChI InChI=1S/C20H24N2O2/c1-15-7-5-8-16(13-15)18-10-3-4-11-19(18)21-20(23)24-14-17-9-6-12-22(17)2/h3-5,7-8,10-11,13,17H,6,9,12,14H2,1-2H3,(H,21,23)/t17-/m0/s1
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US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360045
PNG
(3',5-Difluoro- | US9828339, Example 17)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H22ClFN2O2/c1-24-10-3-6-17(24)9-11-26-20(25)23-19-8-7-16(22)13-18(19)14-4-2-5-15(21)12-14/h2,4-5,7-8,12-13,17H,3,6,9-11H2,1H3,(H,23,25)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360290
PNG
((R)-(1-methyl- | US9828339, Example 195)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)C1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-8-7-13(11-23)12-25-19(24)22-18-6-5-16(21)10-17(18)14-3-2-4-15(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,22,24)/t13-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360227
PNG
((R)-(1-methyl- | US9828339, Example 143)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccc(F)cc2-c2ccc(F)c(Cl)c2)C1
Show InChI InChI=1S/C19H19ClF2N2O2/c1-24-7-6-12(10-24)11-26-19(25)23-18-5-3-14(21)9-15(18)13-2-4-17(22)16(20)8-13/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,25)/t12-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360036
PNG
(3',5'-Dichloro-[1,1'- | US9828339, Example 8)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1cccc(Cl)c1
Show InChI InChI=1S/C20H23ClN2O2/c1-23-12-5-8-17(23)11-13-25-20(24)22-19-10-3-2-9-18(19)15-6-4-7-16(21)14-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3,(H,22,24)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360101
PNG
(2-(1-Methyl- | US9828339, Example 53)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H21ClF2N2O2/c1-25-9-2-3-15(25)8-10-27-20(26)24-19-7-5-14(22)12-16(19)13-4-6-18(23)17(21)11-13/h4-7,11-12,15H,2-3,8-10H2,1H3,(H,24,26)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360091
PNG
(2-(1-Methyl- | US9828339, Example 43)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C20H21Cl2FN2O2/c1-25-9-2-3-15(25)8-10-27-20(26)24-19-7-5-14(23)12-16(19)13-4-6-17(21)18(22)11-13/h4-7,11-12,15H,2-3,8-10H2,1H3,(H,24,26)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360235
PNG
((S)-(1-methyl- | US9828339, Example 149)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-10-4-5-14(23)12-25-19(24)22-18-7-3-2-6-15(18)13-8-9-17(21)16(20)11-13/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,24)/t14-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360220
PNG
((R)-(1-methylpyrrolidin-3-yl)-methyl (3'-chloro-4'...)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)C1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-9-8-13(11-23)12-25-19(24)22-18-5-3-2-4-15(18)14-6-7-17(21)16(20)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,24)/t13-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360201
PNG
((R)-(1-methyl- | US9828339, Example 117)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cccc(Cl)c2)C1
Show InChI InChI=1S/C19H21ClN2O2/c1-22-10-9-14(12-22)13-24-19(23)21-18-8-3-2-7-17(18)15-5-4-6-16(20)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)/t14-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360205
PNG
((S)-(1-methyl- | US9828339, Example 121)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccccc2-c2ccc(F)c(Cl)c2)C1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-9-8-13(11-23)12-25-19(24)22-18-5-3-2-4-15(18)14-6-7-17(21)16(20)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,24)/t13-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360293
PNG
((S)-(1-methyl- | US9828339, Example 198)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H21FN2O2/c1-22-12-4-5-16(22)13-24-19(23)21-18-7-3-2-6-17(18)14-8-10-15(20)11-9-14/h2-3,6-11,16H,4-5,12-13H2,1H3,(H,21,23)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360196
PNG
((R)-(1-methylpyrrolidin-3-yl)-methyl (3'-fluoro-[1...)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cccc(F)c2)C1
Show InChI InChI=1S/C19H21FN2O2/c1-22-10-9-14(12-22)13-24-19(23)21-18-8-3-2-7-17(18)15-5-4-6-16(20)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)/t14-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360156
PNG
((S)-(1-methylpyrrolidin- | US9828339, Example 90)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C19H22N2O2/c1-21-12-11-15(13-21)14-23-19(22)20-18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360295
PNG
((S)-(1-methyl- | US9828339, Example 200)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-9-15(20)12-17(18)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360214
PNG
((R)-(1-methylpyrrolidin-3-yl)-methyl (3',4'-dichlo...)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C19H20Cl2N2O2/c1-23-9-8-13(11-23)12-25-19(24)22-18-5-3-2-4-15(18)14-6-7-16(20)17(21)10-14/h2-7,10,13H,8-9,11-12H2,1H3,(H,22,24)/t13-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360285
PNG
((S)-(1-methyl- | US9828339, Example 190)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cc(Cl)ccc1F
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-10-4-5-14(23)12-25-19(24)22-18-7-3-2-6-15(18)16-11-13(20)8-9-17(16)21/h2-3,6-9,11,14H,4-5,10,12H2,1H3,(H,22,24)/t14-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360297
PNG
((S)-(1-methyl- | US9828339, Example 202)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1cccc(F)c1
Show InChI InChI=1S/C19H20F2N2O2/c1-23-9-3-6-16(23)12-25-19(24)22-18-8-7-15(21)11-17(18)13-4-2-5-14(20)10-13/h2,4-5,7-8,10-11,16H,3,6,9,12H2,1H3,(H,22,24)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360055
PNG
(5-Fluoro-3'- | US9828339, Example 21)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1ccccc1
Show InChI InChI=1S/C20H23FN2O2/c1-23-12-5-8-17(23)11-13-25-20(24)22-19-10-9-16(21)14-18(19)15-6-3-2-4-7-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3,(H,22,24)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360043
PNG
(3'-Ethoxy-[1,1'- | US9828339, Example 15)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1cccc(C)c1
Show InChI InChI=1S/C21H26N2O2/c1-16-7-5-8-17(15-16)19-10-3-4-11-20(19)22-21(24)25-14-12-18-9-6-13-23(18)2/h3-5,7-8,10-11,15,18H,6,9,12-14H2,1-2H3,(H,22,24)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360298
PNG
((S)-(1-methyl- | US9828339, Example 203)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C19H20F2N2O2/c1-23-10-2-3-16(23)12-25-19(24)22-18-9-8-15(21)11-17(18)13-4-6-14(20)7-5-13/h4-9,11,16H,2-3,10,12H2,1H3,(H,22,24)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360202
PNG
((S)-(1-methyl- | US9828339, Example 118)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccccc2-c2cccc(Cl)c2)C1
Show InChI InChI=1S/C19H21ClN2O2/c1-22-10-9-14(12-22)13-24-19(23)21-18-8-3-2-7-17(18)15-5-4-6-16(20)11-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)/t14-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360155
PNG
((R)-(1-methylpyrrolidin-3-yl)methyl [1,1'-biphenyl...)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccccc2)C1
Show InChI InChI=1S/C19H22N2O2/c1-21-12-11-15(13-21)14-23-19(22)20-18-10-6-5-9-17(18)16-7-3-2-4-8-16/h2-10,15H,11-14H2,1H3,(H,20,22)/t15-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360180
PNG
((R)-(1-methylpyrrolidin-3-yl)methyl(3'-methyl-[1,1...)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cccc(C)c2)C1
Show InChI InChI=1S/C20H24N2O2/c1-15-6-5-7-17(12-15)18-8-3-4-9-19(18)21-20(23)24-14-16-10-11-22(2)13-16/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)/t16-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360087
PNG
(2-(1-Methyl- | US9828339, Example 41)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C20H22ClFN2O2/c1-24-11-4-5-15(24)10-12-26-20(25)23-19-7-3-2-6-16(19)14-8-9-18(22)17(21)13-14/h2-3,6-9,13,15H,4-5,10-12H2,1H3,(H,23,25)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360034
PNG
(4'-Chloro-[1,1'- | US9828339, Example 6)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C20H24N2O2/c1-22-14-7-10-17(22)13-15-24-20(23)21-19-12-6-5-11-18(19)16-8-3-2-4-9-16/h2-6,8-9,11-12,17H,7,10,13-15H2,1H3,(H,21,23)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360209
PNG
((S)-(1-methyl- | US9828339, Example 125)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccc(F)cc2-c2cccc(Cl)c2)C1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-8-7-13(11-23)12-25-19(24)22-18-6-5-16(21)10-17(18)14-3-2-4-15(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,22,24)/t13-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360296
PNG
((S)-(1-methyl- | US9828339, Example 201)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1cccc(C)c1
Show InChI InChI=1S/C20H23FN2O2/c1-14-5-3-6-15(11-14)18-12-16(21)8-9-19(18)22-20(24)25-13-17-7-4-10-23(17)2/h3,5-6,8-9,11-12,17H,4,7,10,13H2,1-2H3,(H,22,24)/t17-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360032
PNG
(3'-Fluoro-[1,1'- | US9828339, Example 4)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1cccc(F)c1
Show InChI InChI=1S/C20H23FN2O2/c1-23-12-5-8-17(23)11-13-25-20(24)22-19-10-3-2-9-18(19)15-6-4-7-16(21)14-15/h2-4,6-7,9-10,14,17H,5,8,11-13H2,1H3,(H,22,24)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360276
PNG
((S)-(1-methyl- | US9828339, Example 181)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1cc(F)c(F)cc1-c1ccc(F)c(Cl)c1
Show InChI InChI=1S/C19H18ClF3N2O2/c1-25-6-2-3-12(25)10-27-19(26)24-18-9-17(23)16(22)8-13(18)11-4-5-15(21)14(20)7-11/h4-5,7-9,12H,2-3,6,10H2,1H3,(H,24,26)/t12-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360212
PNG
((S)-(1-methyl- | US9828339, Example 128)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccc(F)cc2-c2ccc(Cl)c(Cl)c2)C1
Show InChI InChI=1S/C19H19Cl2FN2O2/c1-24-7-6-12(10-24)11-26-19(25)23-18-5-3-14(22)9-15(18)13-2-4-16(20)17(21)8-13/h2-5,8-9,12H,6-7,10-11H2,1H3,(H,23,25)/t12-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360299
PNG
((S)-(1-methyl- | US9828339, Example 204)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1cc(F)ccc1-c1ccccc1
Show InChI InChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-12-15(20)9-10-17(18)14-6-3-2-4-7-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360195
PNG
((S)-(1-isopropylpyrrolidin-2-yl)-methyl [1,1'-biph...)
Show SMILES CC(C)N1CCC[C@H]1COC(=O)Nc1ccccc1-c1ccccc1
Show InChI InChI=1S/C21H26N2O2/c1-16(2)23-14-8-11-18(23)15-25-21(24)22-20-13-7-6-12-19(20)17-9-4-3-5-10-17/h3-7,9-10,12-13,16,18H,8,11,14-15H2,1-2H3,(H,22,24)/t18-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360182
PNG
((S)-(1-methylpyrrolidin-3-yl)-methyl(3'-methyl-[1,...)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccccc2-c2cccc(C)c2)C1
Show InChI InChI=1S/C20H24N2O2/c1-15-6-5-7-17(12-15)18-8-3-4-9-19(18)21-20(23)24-14-16-10-11-22(2)13-16/h3-9,12,16H,10-11,13-14H2,1-2H3,(H,21,23)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360056
PNG
(4-Fluoro-[1,1'- | US9828339, Example 22)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1cccc(C)c1
Show InChI InChI=1S/C21H25FN2O2/c1-15-5-3-6-16(13-15)19-14-17(22)8-9-20(19)23-21(25)26-12-10-18-7-4-11-24(18)2/h3,5-6,8-9,13-14,18H,4,7,10-12H2,1-2H3,(H,23,25)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360191
PNG
((S)-(1-methylpyrrolidin-3-yl)-methyl(3',5-difluoro...)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccc(F)cc2-c2cccc(F)c2)C1
Show InChI InChI=1S/C19H20F2N2O2/c1-23-8-7-13(11-23)12-25-19(24)22-18-6-5-16(21)10-17(18)14-3-2-4-15(20)9-14/h2-6,9-10,13H,7-8,11-12H2,1H3,(H,22,24)/t13-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360173
PNG
((S)-(1-methylpyrrolidin- | US9828339, Example 93)
Show SMILES CN1CC[C@H](COC(=O)Nc2ccc(F)cc2-c2ccccc2)C1
Show InChI InChI=1S/C19H21FN2O2/c1-22-10-9-14(12-22)13-24-19(23)21-18-8-7-16(20)11-17(18)15-5-3-2-4-6-15/h2-8,11,14H,9-10,12-13H2,1H3,(H,21,23)/t14-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360047
PNG
(3',5,5'- | US9828339, Example 19)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H22F2N2O2/c1-24-11-2-3-17(24)10-12-26-20(25)23-19-9-8-16(22)13-18(19)14-4-6-15(21)7-5-14/h4-9,13,17H,2-3,10-12H2,1H3,(H,23,25)
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360198
PNG
((R)-(1-methyl- | US9828339, Example 114)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2ccc(F)cc2)C1
Show InChI InChI=1S/C19H21FN2O2/c1-22-11-10-14(12-22)13-24-19(23)21-18-5-3-2-4-17(18)15-6-8-16(20)9-7-15/h2-9,14H,10-13H2,1H3,(H,21,23)/t14-/m1/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360250
PNG
((S)-(1-methyl- | US9828339, Example 160)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccccc1-c1cccc(F)c1
Show InChI InChI=1S/C19H21FN2O2/c1-22-11-5-8-16(22)13-24-19(23)21-18-10-3-2-9-17(18)14-6-4-7-15(20)12-14/h2-4,6-7,9-10,12,16H,5,8,11,13H2,1H3,(H,21,23)/t16-/m0/s1
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Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360028
PNG
(4'-Fluoro-[1,1'- | US9828339, Example 1)
Show SMILES CN1CCCC1CCOC(=O)Nc1ccccc1-c1ccc(F)cc1
Show InChI InChI=1S/C20H23FN2O2/c1-23-13-4-5-17(23)12-14-25-20(24)22-19-7-3-2-6-18(19)15-8-10-16(21)11-9-15/h2-3,6-11,17H,4-5,12-14H2,1H3,(H,22,24)
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 4.42n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360157
PNG
((R)-(1-methylpyrrolidin- | US9828339, Example 91)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cc(F)cc(F)c2)C1
Show InChI InChI=1S/C19H20F2N2O2/c1-23-7-6-13(11-23)12-25-19(24)22-18-5-3-2-4-17(18)14-8-15(20)10-16(21)9-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,24)/t13-/m1/s1
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 4.5n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360305
PNG
((S)-(1-methyl- | US9828339, Example 210)
Show SMILES CN1CCC[C@H]1COC(=O)Nc1ccc(F)cc1-c1cc(F)cc(Cl)c1
Show InChI InChI=1S/C19H19ClF2N2O2/c1-24-6-2-3-16(24)11-26-19(25)23-18-5-4-14(21)10-17(18)12-7-13(20)9-15(22)8-12/h4-5,7-10,16H,2-3,6,11H2,1H3,(H,23,25)/t16-/m0/s1
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 4.60n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360287
PNG
((R)-(1-methyl- | US9828339, Example 192)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccc(F)cc2-c2cccc(C)c2)C1
Show InChI InChI=1S/C20H23FN2O2/c1-14-4-3-5-16(10-14)18-11-17(21)6-7-19(18)22-20(24)25-13-15-8-9-23(2)12-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,22,24)/t15-/m1/s1
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 4.60n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360144
PNG
((R)-pyrrolidin-3-ylmethyl [1,1'-biphenyl]-2-ylcarb...)
Show SMILES O=C(Nc1ccccc1-c1ccccc1)OC[C@@H]1CCNC1
Show InChI InChI=1S/C18H20N2O2/c21-18(22-13-14-10-11-19-12-14)20-17-9-5-4-8-16(17)15-6-2-1-3-7-15/h1-9,14,19H,10-13H2,(H,20,21)/t14-/m1/s1
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 4.62n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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


(Homo sapiens (Human))		BDBM360216
PNG
((R)-(1-methyl- | US9828339, Example 132)
Show SMILES CN1CC[C@@H](COC(=O)Nc2ccccc2-c2cc(F)cc(Cl)c2)C1
Show InChI InChI=1S/C19H20ClFN2O2/c1-23-7-6-13(11-23)12-25-19(24)22-18-5-3-2-4-17(18)14-8-15(20)10-16(21)9-14/h2-5,8-10,13H,6-7,11-12H2,1H3,(H,22,24)/t13-/m1/s1
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 4.64n/an/an/an/an/an/an/an/a



DONG-A ST CO., LTD

US Patent


Assay Description
Cell membrane proteins (Perkin Elmer) wherein human muscarinic M3 receptor was overexpressed, [3H]-methyl scopolamine and test compounds in various c...

US Patent US9828339 (2017)

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