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Patent code US10072005

Compile Data Set for Download or QSAR
Found 105 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 M1


(Homo sapiens (Human))
BDBM277229
PNG
(US10072005, Example 22)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccccc2F)c2cccnc12
Show InChI InChI=1S/C21H22FN3O2/c22-16-7-2-1-6-14(16)12-25-13-15(20-18(25)9-5-11-23-20)21(27)24-17-8-3-4-10-19(17)26/h1-2,5-7,9,11,13,17,19,26H,3-4,8,10,12H2,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277232
PNG
(US10072005, Example 25)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cn1
Show InChI InChI=1S/C21H24N4O2/c1-14-8-9-15(11-23-14)12-25-13-16(20-18(25)6-4-10-22-20)21(27)24-17-5-2-3-7-19(17)26/h4,6,8-11,13,17,19,26H,2-3,5,7,12H2,1H3,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 631n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277236
PNG
(US10072005, Example 29)
Show SMILES Fc1ccc(Cn2cc(C(=O)NC3CCOCC3)c3ncccc23)cc1
Show InChI InChI=1S/C20H20FN3O2/c21-15-5-3-14(4-6-15)12-24-13-17(19-18(24)2-1-9-22-19)20(25)23-16-7-10-26-11-8-16/h1-6,9,13,16H,7-8,10-12H2,(H,23,25)
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n/an/an/an/a 1.59E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277239
PNG
(US10072005, Example 32)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2c(ccnc12)C#N
Show InChI InChI=1S/C22H21FN4O2/c23-16-7-5-14(6-8-16)12-27-13-17(20-21(27)15(11-24)9-10-25-20)22(29)26-18-3-1-2-4-19(18)28/h5-10,13,18-19,28H,1-4,12H2,(H,26,29)/t18-,19-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277245
PNG
(US10072005, Example 38)
Show SMILES COc1ccc2n(Cc3ccc(F)cc3)cc(C(=O)N[C@H]3CCCC[C@@H]3O)c2n1
Show InChI InChI=1S/C22H24FN3O3/c1-29-20-11-10-18-21(25-20)16(22(28)24-17-4-2-3-5-19(17)27)13-26(18)12-14-6-8-15(23)9-7-14/h6-11,13,17,19,27H,2-5,12H2,1H3,(H,24,28)/t17-,19-/m0/s1
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n/an/an/an/a 1.59E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277247
PNG
(US10072005, Example 40)
Show SMILES Cc1ccc2n(Cc3ccc(cc3)-n3cccn3)cc(C(=O)N[C@H]3CCCC[C@@H]3O)c2n1
Show InChI InChI=1S/C25H27N5O2/c1-17-7-12-22-24(27-17)20(25(32)28-21-5-2-3-6-23(21)31)16-29(22)15-18-8-10-19(11-9-18)30-14-4-13-26-30/h4,7-14,16,21,23,31H,2-3,5-6,15H2,1H3,(H,28,32)/t21-,23-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277252
PNG
(US10072005, Example 45)
Show SMILES Cc1cc(ccn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C27H27FN4O2/c1-17-13-19(10-12-29-17)18-8-9-20(22(28)14-18)15-32-16-21(26-24(32)6-4-11-30-26)27(34)31-23-5-2-3-7-25(23)33/h4,6,8-14,16,23,25,33H,2-3,5,7,15H2,1H3,(H,31,34)/t23-,25-/m0/s1
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n/an/an/an/a 31.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277254
PNG
(US10072005, Example 47 | US10072005, Example 48)
Show SMILES O[C@@H]1CCCC[C@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H25N5O2/c30-22-7-2-1-5-20(22)27-24(31)19-16-28(21-6-3-12-25-23(19)21)15-17-8-10-18(11-9-17)29-14-4-13-26-29/h3-4,6,8-14,16,20,22,30H,1-2,5,7,15H2,(H,27,31)/t20-,22-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277277
PNG
(US10072005, Example 70)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(Cl)nc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C20H20Cl2N4O2/c21-14-7-8-23-18-13(20(28)25-15-3-1-2-4-16(15)27)11-26(19(14)18)10-12-5-6-17(22)24-9-12/h5-9,11,15-16,27H,1-4,10H2,(H,25,28)/t15-,16-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277279
PNG
(US10072005, Example 72)
Show SMILES Cn1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)cn1
Show InChI InChI=1S/C19H22ClN5O2/c1-24-9-12(8-22-24)10-25-11-13(17-18(25)14(20)6-7-21-17)19(27)23-15-4-2-3-5-16(15)26/h6-9,11,15-16,26H,2-5,10H2,1H3,(H,23,27)/t15-,16-/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277292
PNG
(US10072005, Example 85)
Show SMILES COc1cc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(C)c23)ccn1
Show InChI InChI=1S/C21H24N4O4/c1-13-3-6-23-19-15(21(27)24-16-5-8-29-12-17(16)26)11-25(20(13)19)10-14-4-7-22-18(9-14)28-2/h3-4,6-7,9,11,16-17,26H,5,8,10,12H2,1-2H3,(H,24,27)/t16?,17-/m0/s1
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n/an/an/an/a 50.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277294
PNG
(US10072005, Example 87)
Show SMILES COc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(Cl)c23)cc1
Show InChI InChI=1S/C21H22ClN3O4/c1-28-14-4-2-13(3-5-14)10-25-11-15(19-20(25)16(22)6-8-23-19)21(27)24-17-7-9-29-12-18(17)26/h2-6,8,11,17-18,26H,7,9-10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277296
PNG
(US10072005, Example 89)
Show SMILES O[C@@H]1COCC[C@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C20H19ClFN3O3/c21-15-5-7-23-18-14(20(27)24-16-6-8-28-11-17(16)26)10-25(19(15)18)9-12-1-3-13(22)4-2-12/h1-5,7,10,16-17,26H,6,8-9,11H2,(H,24,27)/t16-,17-/m1/s1
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n/an/an/an/a 251n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277306
PNG
(US10072005, Example 99)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C22H21ClF3N3O3/c23-16-9-10-27-19-15(21(31)28-17-3-1-2-4-18(17)30)12-29(20(16)19)11-13-5-7-14(8-6-13)32-22(24,25)26/h5-10,12,17-18,30H,1-4,11H2,(H,28,31)/t17-,18-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277308
PNG
(US10072005, Example 101)
Show SMILES Cc1ccnc2c(cn(Cc3cc(F)cc(F)c3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H23F2N3O2/c1-13-6-7-25-20-17(22(29)26-18-4-2-3-5-19(18)28)12-27(21(13)20)11-14-8-15(23)10-16(24)9-14/h6-10,12,18-19,28H,2-5,11H2,1H3,(H,26,29)/t18-,19-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277309
PNG
(US10072005, Example 102)
Show SMILES COc1cccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c1F
Show InChI InChI=1S/C22H24FN3O3/c1-29-19-10-4-6-14(20(19)23)12-26-13-15(21-17(26)8-5-11-24-21)22(28)25-16-7-2-3-9-18(16)27/h4-6,8,10-11,13,16,18,27H,2-3,7,9,12H2,1H3,(H,25,28)/t16-,18-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277310
PNG
(US10072005, Example 103)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1F
Show InChI InChI=1S/C22H24FN3O3/c1-29-20-9-8-14(11-16(20)23)12-26-13-15(21-18(26)6-4-10-24-21)22(28)25-17-5-2-3-7-19(17)27/h4,6,8-11,13,17,19,27H,2-3,5,7,12H2,1H3,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277312
PNG
(US10072005, Example 105)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(OC)c23)cc1
Show InChI InChI=1S/C23H27N3O4/c1-29-16-9-7-15(8-10-16)13-26-14-17(21-22(26)20(30-2)11-12-24-21)23(28)25-18-5-3-4-6-19(18)27/h7-12,14,18-19,27H,3-6,13H2,1-2H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277208
PNG
(US10072005, Example 1)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C22H25N3O2/c1-15-8-10-16(11-9-15)13-25-14-17(21-19(25)6-4-12-23-21)22(27)24-18-5-2-3-7-20(18)26/h4,6,8-12,14,18,20,26H,2-3,5,7,13H2,1H3,(H,24,27)/t18-,20-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277209
PNG
(US10072005, Example 2)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cc(F)cc(F)c2)c2cccnc12
Show InChI InChI=1S/C21H21F2N3O2/c22-14-8-13(9-15(23)10-14)11-26-12-16(20-18(26)5-3-7-24-20)21(28)25-17-4-1-2-6-19(17)27/h3,5,7-10,12,17,19,27H,1-2,4,6,11H2,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277214
PNG
(US10072005, Example 7)
Show SMILES Cc1nc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cs1
Show InChI InChI=1S/C19H22N4O2S/c1-12-21-13(11-26-12)9-23-10-14(18-16(23)6-4-8-20-18)19(25)22-15-5-2-3-7-17(15)24/h4,6,8,10-11,15,17,24H,2-3,5,7,9H2,1H3,(H,22,25)/t15-,17-/m0/s1
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n/an/an/an/a 1.26E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277234
PNG
(US10072005, Example 27)
Show SMILES O[C@H]1CCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C20H20FN3O2/c21-14-8-6-13(7-9-14)11-24-12-15(19-17(24)4-2-10-22-19)20(26)23-16-3-1-5-18(16)25/h2,4,6-10,12,16,18,25H,1,3,5,11H2,(H,23,26)/t16-,18-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277240
PNG
(US10072005, Example 33)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)c2c(ccnc12)C#N
Show InChI InChI=1S/C23H21F3N4O2/c24-23(25,26)16-7-5-14(6-8-16)12-30-13-17(20-21(30)15(11-27)9-10-28-20)22(32)29-18-3-1-2-4-19(18)31/h5-10,13,18-19,31H,1-4,12H2,(H,29,32)/t18-,19-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277260
PNG
(US10072005, Example 53)
Show SMILES O=C(N[C@@H]1CCCNC1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C23H24N6O/c30-23(27-18-4-1-10-24-14-18)20-16-28(21-5-2-11-25-22(20)21)15-17-6-8-19(9-7-17)29-13-3-12-26-29/h2-3,5-9,11-13,16,18,24H,1,4,10,14-15H2,(H,27,30)/t18-/m1/s1
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n/an/an/an/a 631n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277271
PNG
(US10072005, Example 64)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)nc1
Show InChI InChI=1S/C22H26N4O2/c1-14-7-8-16(24-11-14)12-26-13-17(20-21(26)15(2)9-10-23-20)22(28)25-18-5-3-4-6-19(18)27/h7-11,13,18-19,27H,3-6,12H2,1-2H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 63.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277276
PNG
(US10072005, Example 69)
Show SMILES COc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)ccn1
Show InChI InChI=1S/C21H23ClN4O3/c1-29-18-10-13(6-8-23-18)11-26-12-14(19-20(26)15(22)7-9-24-19)21(28)25-16-4-2-3-5-17(16)27/h6-10,12,16-17,27H,2-5,11H2,1H3,(H,25,28)/t16-,17-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277289
PNG
(US10072005, Example 82)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(F)cc3)c12)C(=O)NC1CCOC[C@@H]1O
Show InChI InChI=1S/C21H22FN3O3/c1-13-6-8-23-19-16(21(27)24-17-7-9-28-12-18(17)26)11-25(20(13)19)10-14-2-4-15(22)5-3-14/h2-6,8,11,17-18,26H,7,9-10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277290
PNG
(US10072005, Example 83)
Show SMILES COc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(C)c23)cc1
Show InChI InChI=1S/C22H25N3O4/c1-14-7-9-23-20-17(22(27)24-18-8-10-29-13-19(18)26)12-25(21(14)20)11-15-3-5-16(28-2)6-4-15/h3-7,9,12,18-19,26H,8,10-11,13H2,1-2H3,(H,24,27)/t18?,19-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277305
PNG
(US10072005, Example 98)
Show SMILES Cc1ccnc2c(cn(Cc3cc(F)ccc3F)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H23F2N3O2/c1-13-8-9-25-20-16(22(29)26-18-4-2-3-5-19(18)28)12-27(21(13)20)11-14-10-15(23)6-7-17(14)24/h6-10,12,18-19,28H,2-5,11H2,1H3,(H,26,29)/t18-,19-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277307
PNG
(US10072005, Example 100)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(OC(F)(F)F)cc3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C23H24F3N3O3/c1-14-10-11-27-20-17(22(31)28-18-4-2-3-5-19(18)30)13-29(21(14)20)12-15-6-8-16(9-7-15)32-23(24,25)26/h6-11,13,18-19,30H,2-5,12H2,1H3,(H,28,31)/t18-,19-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277311
PNG
(US10072005, Example 104)
Show SMILES COc1ccnc2c(cn(Cc3cccc(F)c3F)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H23F2N3O3/c1-30-18-9-10-25-20-14(22(29)26-16-7-2-3-8-17(16)28)12-27(21(18)20)11-13-5-4-6-15(23)19(13)24/h4-6,9-10,12,16-17,28H,2-3,7-8,11H2,1H3,(H,26,29)/t16-,17-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277213
PNG
(US10072005, Example 6)
Show SMILES Cc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)ccc1F
Show InChI InChI=1S/C22H24FN3O2/c1-14-11-15(8-9-17(14)23)12-26-13-16(21-19(26)6-4-10-24-21)22(28)25-18-5-2-3-7-20(18)27/h4,6,8-11,13,18,20,27H,2-3,5,7,12H2,1H3,(H,25,28)/t18-,20-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277222
PNG
(US10072005, Example 15)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccc(F)c2F)c2c(Cl)ccnc12
Show InChI InChI=1S/C21H20ClF2N3O2/c22-14-8-9-25-19-13(21(29)26-16-6-1-2-7-17(16)28)11-27(20(14)19)10-12-4-3-5-15(23)18(12)24/h3-5,8-9,11,16-17,28H,1-2,6-7,10H2,(H,26,29)/t16-,17-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277227
PNG
(US10072005, Example 20)
Show SMILES C[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C22H24FN3O/c1-15-5-2-3-6-19(15)25-22(27)18-14-26(20-7-4-12-24-21(18)20)13-16-8-10-17(23)11-9-16/h4,7-12,14-15,19H,2-3,5-6,13H2,1H3,(H,25,27)/t15-,19-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277233
PNG
(US10072005, Example 26)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)nc1
Show InChI InChI=1S/C21H24N4O2/c1-14-8-9-15(23-11-14)12-25-13-16(20-18(25)6-4-10-22-20)21(27)24-17-5-2-3-7-19(17)26/h4,6,8-11,13,17,19,26H,2-3,5,7,12H2,1H3,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277237
PNG
(US10072005, Example 30)
Show SMILES Fc1ccc(Cn2cc(C(=O)NC3CCNCC3)c3ncccc23)cc1
Show InChI InChI=1S/C20H21FN4O/c21-15-5-3-14(4-6-15)12-25-13-17(19-18(25)2-1-9-23-19)20(26)24-16-7-10-22-11-8-16/h1-6,9,13,16,22H,7-8,10-12H2,(H,24,26)
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277238
PNG
(US10072005, Example 31)
Show SMILES CN1CCC(CC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H23FN4O/c1-25-11-8-17(9-12-25)24-21(27)18-14-26(19-3-2-10-23-20(18)19)13-15-4-6-16(22)7-5-15/h2-7,10,14,17H,8-9,11-13H2,1H3,(H,24,27)
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277241
PNG
(US10072005, Example 34)
Show SMILES O[C@H]1CC(F)(F)CCC1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H20F3N3O2/c22-14-5-3-13(4-6-14)11-27-12-15(19-17(27)2-1-9-25-19)20(29)26-16-7-8-21(23,24)10-18(16)28/h1-6,9,12,16,18,28H,7-8,10-11H2,(H,26,29)/t16?,18-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277249
PNG
(US10072005, Example 42)
Show SMILES Cn1ccnc1-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C25H27N5O2/c1-29-14-13-27-24(29)18-10-8-17(9-11-18)15-30-16-19(23-21(30)6-4-12-26-23)25(32)28-20-5-2-3-7-22(20)31/h4,6,8-14,16,20,22,31H,2-3,5,7,15H2,1H3,(H,28,32)/t20-,22-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277251
PNG
(US10072005, Example 44)
Show SMILES Cc1cccc(n1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C27H27FN4O2/c1-17-6-4-8-22(30-17)18-11-12-19(21(28)14-18)15-32-16-20(26-24(32)9-5-13-29-26)27(34)31-23-7-2-3-10-25(23)33/h4-6,8-9,11-14,16,23,25,33H,2-3,7,10,15H2,1H3,(H,31,34)/t23-,25-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277253
PNG
(US10072005, Example 46)
Show SMILES O[C@@H]1CCCC[C@H]1NC(=O)c1cn(Cc2ccc(cc2)-c2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C27H26FN3O2/c28-21-13-11-20(12-14-21)19-9-7-18(8-10-19)16-31-17-22(26-24(31)5-3-15-29-26)27(33)30-23-4-1-2-6-25(23)32/h3,5,7-15,17,23,25,32H,1-2,4,6,16H2,(H,30,33)/t23-,25-/m1/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277256
PNG
(US10072005, Example 49)
Show SMILES O=C(NC1CCCOC1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C23H23N5O2/c29-23(26-18-4-2-13-30-16-18)20-15-27(21-5-1-10-24-22(20)21)14-17-6-8-19(9-7-17)28-12-3-11-25-28/h1,3,5-12,15,18H,2,4,13-14,16H2,(H,26,29)
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n/an/an/an/a 2.51E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277259
PNG
(US10072005, Example 52)
Show SMILES O=C(N[C@H]1CCCNC1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C23H24N6O/c30-23(27-18-4-1-10-24-14-18)20-16-28(21-5-2-11-25-22(20)21)15-17-6-8-19(9-7-17)29-13-3-12-26-29/h2-3,5-9,11-13,16,18,24H,1,4,10,14-15H2,(H,27,30)/t18-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277264
PNG
(US10072005, Example 57)
Show SMILES Cn1cc(cn1)-c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C25H27N5O2/c1-29-15-19(13-27-29)18-10-8-17(9-11-18)14-30-16-20(24-22(30)6-4-12-26-24)25(32)28-21-5-2-3-7-23(21)31/h4,6,8-13,15-16,21,23,31H,2-3,5,7,14H2,1H3,(H,28,32)/t21-,23-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277267
PNG
(US10072005, Example 60)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(Cl)cc3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H24ClN3O2/c1-14-10-11-24-20-17(22(28)25-18-4-2-3-5-19(18)27)13-26(21(14)20)12-15-6-8-16(23)9-7-15/h6-11,13,18-19,27H,2-5,12H2,1H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277268
PNG
(US10072005, Example 61)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)nc1
Show InChI InChI=1S/C21H23ClN4O2/c1-13-6-7-14(24-10-13)11-26-12-15(19-20(26)16(22)8-9-23-19)21(28)25-17-4-2-3-5-18(17)27/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 100n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277272
PNG
(US10072005, Example 65)
Show SMILES Cc1ccnc2c(cn(Cc3cccc(F)c3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H24FN3O2/c1-14-9-10-24-20-17(22(28)25-18-7-2-3-8-19(18)27)13-26(21(14)20)12-15-5-4-6-16(23)11-15/h4-6,9-11,13,18-19,27H,2-3,7-8,12H2,1H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277281
PNG
(US10072005, Example 74)
Show SMILES Cc1csc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)n1
Show InChI InChI=1S/C19H21ClN4O2S/c1-11-10-27-16(22-11)9-24-8-12(17-18(24)13(20)6-7-21-17)19(26)23-14-4-2-3-5-15(14)25/h6-8,10,14-15,25H,2-5,9H2,1H3,(H,23,26)/t14-,15-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277291
PNG
(US10072005, Example 84)
Show SMILES COc1ccc(Cn2cc(C(=O)NC3CCOC[C@@H]3O)c3nccc(C)c23)cc1F
Show InChI InChI=1S/C22H24FN3O4/c1-13-5-7-24-20-15(22(28)25-17-6-8-30-12-18(17)27)11-26(21(13)20)10-14-3-4-19(29-2)16(23)9-14/h3-5,7,9,11,17-18,27H,6,8,10,12H2,1-2H3,(H,25,28)/t17?,18-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277228
PNG
(US10072005, Example 21)
Show SMILES OCC1(CCCC1)NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H22FN3O2/c22-16-7-5-15(6-8-16)12-25-13-17(19-18(25)4-3-11-23-19)20(27)24-21(14-26)9-1-2-10-21/h3-8,11,13,26H,1-2,9-10,12,14H2,(H,24,27)
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n/an/an/an/a 2.00E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277235
PNG
(US10072005, Example 28)
Show SMILES O[C@H]1CCCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C22H24FN3O2/c23-16-10-8-15(9-11-16)13-26-14-17(21-19(26)6-4-12-24-21)22(28)25-18-5-2-1-3-7-20(18)27/h4,6,8-12,14,18,20,27H,1-3,5,7,13H2,(H,25,28)/t18-,20-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277270
PNG
(US10072005, Example 63)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)cc1
Show InChI InChI=1S/C23H27N3O2/c1-15-7-9-17(10-8-15)13-26-14-18(21-22(26)16(2)11-12-24-21)23(28)25-19-5-3-4-6-20(19)27/h7-12,14,19-20,27H,3-6,13H2,1-2H3,(H,25,28)/t19-,20-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277282
PNG
(US10072005, Example 75)
Show SMILES Cc1cnc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)s1
Show InChI InChI=1S/C19H21ClN4O2S/c1-11-8-22-16(27-11)10-24-9-12(17-18(24)13(20)6-7-21-17)19(26)23-14-4-2-3-5-15(14)25/h6-9,14-15,25H,2-5,10H2,1H3,(H,23,26)/t14-,15-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277283
PNG
(US10072005, Example 76)
Show SMILES Cc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)ccn1
Show InChI InChI=1S/C21H24N4O2/c1-14-11-15(8-10-22-14)12-25-13-16(20-18(25)6-4-9-23-20)21(27)24-17-5-2-3-7-19(17)26/h4,6,8-11,13,17,19,26H,2-3,5,7,12H2,1H3,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277287
PNG
(US10072005, Example 80)
Show SMILES Cc1ccnc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)c1
Show InChI InChI=1S/C21H23ClN4O2/c1-13-6-8-23-14(10-13)11-26-12-15(19-20(26)16(22)7-9-24-19)21(28)25-17-4-2-3-5-18(17)27/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 79.4n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277288
PNG
(US10072005, Example 81)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(Cl)cn3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C21H23ClN4O2/c1-13-8-9-23-19-16(21(28)25-17-4-2-3-5-18(17)27)12-26(20(13)19)11-15-7-6-14(22)10-24-15/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 63.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277300
PNG
(US10072005, Example 93)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C22H25N3O3/c1-28-16-10-8-15(9-11-16)13-25-14-17(21-19(25)6-4-12-23-21)22(27)24-18-5-2-3-7-20(18)26/h4,6,8-12,14,18,20,26H,2-3,5,7,13H2,1H3,(H,24,27)/t18-,20-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277302
PNG
(US10072005, Example 95)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccc(c2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)15-6-3-5-14(11-15)12-28-13-16(20-18(28)8-4-10-26-20)21(30)27-17-7-1-2-9-19(17)29/h3-6,8,10-11,13,17,19,29H,1-2,7,9,12H2,(H,27,30)/t17-,19-/m0/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277217
PNG
(US10072005, Example 10)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(F)cc3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H24FN3O2/c1-14-10-11-24-20-17(22(28)25-18-4-2-3-5-19(18)27)13-26(21(14)20)12-15-6-8-16(23)9-7-15/h6-11,13,18-19,27H,2-5,12H2,1H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277218
PNG
(US10072005, Example 11)
Show SMILES Cc1ccnc2c(cn(Cc3cccc(F)c3F)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H23F2N3O2/c1-13-9-10-25-20-15(22(29)26-17-7-2-3-8-18(17)28)12-27(21(13)20)11-14-5-4-6-16(23)19(14)24/h4-6,9-10,12,17-18,28H,2-3,7-8,11H2,1H3,(H,26,29)/t17-,18-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277221
PNG
(US10072005, Example 14)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C21H21ClFN3O2/c22-16-9-10-24-19-15(21(28)25-17-3-1-2-4-18(17)27)12-26(20(16)19)11-13-5-7-14(23)8-6-13/h5-10,12,17-18,27H,1-4,11H2,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 50.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277223
PNG
(US10072005, Example 16)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)n1
Show InChI InChI=1S/C21H23ClN4O2/c1-13-5-4-6-14(24-13)11-26-12-15(19-20(26)16(22)9-10-23-19)21(28)25-17-7-2-3-8-18(17)27/h4-6,9-10,12,17-18,27H,2-3,7-8,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277225
PNG
(US10072005, Example 18)
Show SMILES OC[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C22H24FN3O2/c23-17-9-7-15(8-10-17)12-26-13-18(21-20(26)6-3-11-24-21)22(28)25-19-5-2-1-4-16(19)14-27/h3,6-11,13,16,19,27H,1-2,4-5,12,14H2,(H,25,28)/t16-,19+/m1/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277226
PNG
(US10072005, Example 19)
Show SMILES C[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H22FN3O2/c1-14-13-27-10-8-18(14)24-21(26)17-12-25(19-3-2-9-23-20(17)19)11-15-4-6-16(22)7-5-15/h2-7,9,12,14,18H,8,10-11,13H2,1H3,(H,24,26)/t14-,18-/m0/s1
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n/an/an/an/a 1.00E+3n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277230
PNG
(US10072005, Example 23)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(Cl)cc2)c2cccnc12
Show InChI InChI=1S/C21H22ClN3O2/c22-15-9-7-14(8-10-15)12-25-13-16(20-18(25)5-3-11-23-20)21(27)24-17-4-1-2-6-19(17)26/h3,5,7-11,13,17,19,26H,1-2,4,6,12H2,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277265
PNG
(US10072005, Example 58)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)cc1
Show InChI InChI=1S/C22H24ClN3O3/c1-29-15-8-6-14(7-9-15)12-26-13-16(20-21(26)17(23)10-11-24-20)22(28)25-18-4-2-3-5-19(18)27/h6-11,13,18-19,27H,2-5,12H2,1H3,(H,25,28)/t18-,19-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277274
PNG
(US10072005, Example 67)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)cn1
Show InChI InChI=1S/C22H26N4O3/c1-14-9-10-23-20-16(22(28)25-17-5-3-4-6-18(17)27)13-26(21(14)20)12-15-7-8-19(29-2)24-11-15/h7-11,13,17-18,27H,3-6,12H2,1-2H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 31.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277298
PNG
(US10072005, Example 91)
Show SMILES COc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)ccc1F
Show InChI InChI=1S/C22H24FN3O3/c1-29-20-11-14(8-9-16(20)23)12-26-13-15(21-18(26)6-4-10-24-21)22(28)25-17-5-2-3-7-19(17)27/h4,6,8-11,13,17,19,27H,2-3,5,7,12H2,1H3,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277210
PNG
(US10072005, Example 3)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cc(F)ccc2F)c2cccnc12
Show InChI InChI=1S/C21H21F2N3O2/c22-14-7-8-16(23)13(10-14)11-26-12-15(20-18(26)5-3-9-24-20)21(28)25-17-4-1-2-6-19(17)27/h3,5,7-10,12,17,19,27H,1-2,4,6,11H2,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277211
PNG
(US10072005, Example 4)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccc(F)c2)c2cccnc12
Show InChI InChI=1S/C21H22FN3O2/c22-15-6-3-5-14(11-15)12-25-13-16(20-18(25)8-4-10-23-20)21(27)24-17-7-1-2-9-19(17)26/h3-6,8,10-11,13,17,19,26H,1-2,7,9,12H2,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 158n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277219
PNG
(US10072005, Example 12)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)cc1
Show InChI InChI=1S/C23H27N3O3/c1-15-11-12-24-21-18(23(28)25-19-5-3-4-6-20(19)27)14-26(22(15)21)13-16-7-9-17(29-2)10-8-16/h7-12,14,19-20,27H,3-6,13H2,1-2H3,(H,25,28)/t19-,20-/m0/s1
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n/an/an/an/a 20n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277220
PNG
(US10072005, Example 13)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)cc1F
Show InChI InChI=1S/C23H26FN3O3/c1-14-9-10-25-21-16(23(29)26-18-5-3-4-6-19(18)28)13-27(22(14)21)12-15-7-8-20(30-2)17(24)11-15/h7-11,13,18-19,28H,3-6,12H2,1-2H3,(H,26,29)/t18-,19-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277224
PNG
(US10072005, Example 17)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cn2)c2c(Cl)ccnc12
Show InChI InChI=1S/C20H20ClFN4O2/c21-15-7-8-23-18-14(20(28)25-16-3-1-2-4-17(16)27)11-26(19(15)18)10-13-6-5-12(22)9-24-13/h5-9,11,16-17,27H,1-4,10H2,(H,25,28)/t16-,17-/m0/s1
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n/an/an/an/a 126n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277246
PNG
(US10072005, Example 39)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2ccc(Cl)nc12
Show InChI InChI=1S/C21H21ClFN3O2/c22-19-10-9-17-20(25-19)15(21(28)24-16-3-1-2-4-18(16)27)12-26(17)11-13-5-7-14(23)8-6-13/h5-10,12,16,18,27H,1-4,11H2,(H,24,28)/t16-,18-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277250
PNG
(US10072005, Example 43)
Show SMILES C[N]1=CNC(=C1)c1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)cc1
Show InChI InChI=1S/C25H28N5O2/c1-29-15-21(27-16-29)18-10-8-17(9-11-18)13-30-14-19(24-22(30)6-4-12-26-24)25(32)28-20-5-2-3-7-23(20)31/h4,6,8-12,14-16,20,23,27,31H,2-3,5,7,13H2,1H3,(H,28,32)/t20-,23-/m0/s1
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n/an/an/an/a 10n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277258
PNG
(US10072005, Example 51)
Show SMILES FC1(F)CCC(CC1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H23F2N5O/c25-24(26)10-8-18(9-11-24)29-23(32)20-16-30(21-3-1-12-27-22(20)21)15-17-4-6-19(7-5-17)31-14-2-13-28-31/h1-7,12-14,16,18H,8-11,15H2,(H,29,32)
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n/an/an/an/a 501n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277261
PNG
(US10072005, Example 54)
Show SMILES CN1CCC[C@@H](C1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H26N6O/c1-28-13-3-5-19(16-28)27-24(31)21-17-29(22-6-2-11-25-23(21)22)15-18-7-9-20(10-8-18)30-14-4-12-26-30/h2,4,6-12,14,17,19H,3,5,13,15-16H2,1H3,(H,27,31)/t19-/m0/s1
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n/an/an/an/a 31.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277262
PNG
(US10072005, Example 55)
Show SMILES CN1CCC[C@H](C1)NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H26N6O/c1-28-13-3-5-19(16-28)27-24(31)21-17-29(22-6-2-11-25-23(21)22)15-18-7-9-20(10-8-18)30-14-4-12-26-30/h2,4,6-12,14,17,19H,3,5,13,15-16H2,1H3,(H,27,31)/t19-/m1/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277285
PNG
(US10072005, Example 78)
Show SMILES Cc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)ccn1
Show InChI InChI=1S/C21H23ClN4O2/c1-13-10-14(6-8-23-13)11-26-12-15(19-20(26)16(22)7-9-24-19)21(28)25-17-4-2-3-5-18(17)27/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 15.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277293
PNG
(US10072005, Example 86)
Show SMILES Cc1ccnc2c(cn(Cc3cccc(F)c3)c12)C(=O)NC1CCOC[C@@H]1O
Show InChI InChI=1S/C21H22FN3O3/c1-13-5-7-23-19-16(21(27)24-17-6-8-28-12-18(17)26)11-25(20(13)19)10-14-3-2-4-15(22)9-14/h2-5,7,9,11,17-18,26H,6,8,10,12H2,1H3,(H,24,27)/t17?,18-/m0/s1
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n/an/an/an/a 25.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277297
PNG
(US10072005, Example 90)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)C(F)(F)F)c2cccnc12
Show InChI InChI=1S/C22H22F3N3O2/c23-22(24,25)15-9-7-14(8-10-15)12-28-13-16(20-18(28)5-3-11-26-20)21(30)27-17-4-1-2-6-19(17)29/h3,5,7-11,13,17,19,29H,1-2,4,6,12H2,(H,27,30)/t17-,19-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277299
PNG
(US10072005, Example 92)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C22H24FN3O3/c1-29-15-9-8-14(17(23)11-15)12-26-13-16(21-19(26)6-4-10-24-21)22(28)25-18-5-2-3-7-20(18)27/h4,6,8-11,13,18,20,27H,2-3,5,7,12H2,1H3,(H,25,28)/t18-,20-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277215
PNG
(US10072005, Example 8)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2cccc(F)c2F)c2cccnc12
Show InChI InChI=1S/C21H21F2N3O2/c22-15-6-3-5-13(19(15)23)11-26-12-14(20-17(26)8-4-10-24-20)21(28)25-16-7-1-2-9-18(16)27/h3-6,8,10,12,16,18,27H,1-2,7,9,11H2,(H,25,28)/t16-,18-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277231
PNG
(US10072005, Example 24)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2F)c2cccnc12
Show InChI InChI=1S/C21H21F2N3O2/c22-14-8-7-13(16(23)10-14)11-26-12-15(20-18(26)5-3-9-24-20)21(28)25-17-4-1-2-6-19(17)27/h3,5,7-10,12,17,19,27H,1-2,4,6,11H2,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277242
PNG
(US10072005, Example 35 | US10072005, Example 36)
Show SMILES O[C@@H]1CC(F)(F)CCC1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H20F3N3O2/c22-14-5-3-13(4-6-14)11-27-12-15(19-17(27)2-1-9-25-19)20(29)26-16-7-8-21(23,24)10-18(16)28/h1-6,9,12,16,18,28H,7-8,10-11H2,(H,26,29)/t16?,18-/m1/s1
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n/an/an/an/a 794n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277244
PNG
(US10072005, Example 37)
Show SMILES COc1ccnc2c(cn(Cc3ccc(F)cc3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C22H24FN3O3/c1-29-19-10-11-24-20-16(22(28)25-17-4-2-3-5-18(17)27)13-26(21(19)20)12-14-6-8-15(23)9-7-14/h6-11,13,17-18,27H,2-5,12H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277248
PNG
(US10072005, Example 41)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2ccc(nc12)[N+]#[C-]
Show InChI InChI=1S/C25H24N6O2/c1-26-23-12-11-21-24(29-23)19(25(33)28-20-5-2-3-6-22(20)32)16-30(21)15-17-7-9-18(10-8-17)31-14-4-13-27-31/h4,7-14,16,20,22,32H,2-3,5-6,15H2,(H,28,33)/t20-,22-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277263
PNG
(US10072005, Example 56)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(Br)cc2)c2cccnc12
Show InChI InChI=1S/C21H22BrN3O2/c22-15-9-7-14(8-10-15)12-25-13-16(20-18(25)5-3-11-23-20)21(27)24-17-4-1-2-6-19(17)26/h3,5,7-11,13,17,19,26H,1-2,4,6,12H2,(H,24,27)/t17-,19-/m0/s1
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n/an/an/an/a 316n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277266
PNG
(US10072005, Example 59)
Show SMILES Cc1ccnc2c(cn(Cc3ccc(Cl)nc3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C21H23ClN4O2/c1-13-8-9-23-19-15(21(28)25-16-4-2-3-5-17(16)27)12-26(20(13)19)11-14-6-7-18(22)24-10-14/h6-10,12,16-17,27H,2-5,11H2,1H3,(H,25,28)/t16-,17-/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277269
PNG
(US10072005, Example 62)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)cn1
Show InChI InChI=1S/C21H23ClN4O2/c1-13-6-7-14(10-24-13)11-26-12-15(19-20(26)16(22)8-9-23-19)21(28)25-17-4-2-3-5-18(17)27/h6-10,12,17-18,27H,2-5,11H2,1H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277278
PNG
(US10072005, Example 71)
Show SMILES COc1cc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)ccn1
Show InChI InChI=1S/C22H26N4O3/c1-14-7-9-24-20-16(22(28)25-17-5-3-4-6-18(17)27)13-26(21(14)20)12-15-8-10-23-19(11-15)29-2/h7-11,13,17-18,27H,3-6,12H2,1-2H3,(H,25,28)/t17-,18-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277280
PNG
(US10072005, Example 73)
Show SMILES Cc1ccnc2c(cn(Cc3cnn(C)c3)c12)C(=O)N[C@H]1CCCC[C@@H]1O
Show InChI InChI=1S/C20H25N5O2/c1-13-7-8-21-18-15(20(27)23-16-5-3-4-6-17(16)26)12-25(19(13)18)11-14-9-22-24(2)10-14/h7-10,12,16-17,26H,3-6,11H2,1-2H3,(H,23,27)/t16-,17-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277286
PNG
(US10072005, Example 79)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccncc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C20H21ClN4O2/c21-15-7-10-23-18-14(20(27)24-16-3-1-2-4-17(16)26)12-25(19(15)18)11-13-5-8-22-9-6-13/h5-10,12,16-17,26H,1-4,11H2,(H,24,27)/t16-,17-/m0/s1
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n/an/an/an/a 39.8n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277304
PNG
(US10072005, Example 97)
Show SMILES Cc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c(F)c1
Show InChI InChI=1S/C22H24FN3O2/c1-14-8-9-15(17(23)11-14)12-26-13-16(21-19(26)6-4-10-24-21)22(28)25-18-5-2-3-7-20(18)27/h4,6,8-11,13,18,20,27H,2-3,5,7,12H2,1H3,(H,25,28)/t18-,20-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277212
PNG
(US10072005, Example 5)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H22FN3O2/c22-15-9-7-14(8-10-15)12-25-13-16(20-18(25)5-3-11-23-20)21(27)24-17-4-1-2-6-19(17)26/h3,5,7-11,13,17,19,26H,1-2,4,6,12H2,(H,24,27)/t17-,19-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277216
PNG
(US10072005, Example 9)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(OC(F)(F)F)cc2)c2cccnc12
Show InChI InChI=1S/C22H22F3N3O3/c23-22(24,25)31-15-9-7-14(8-10-15)12-28-13-16(20-18(28)5-3-11-26-20)21(30)27-17-4-1-2-6-19(17)29/h3,5,7-11,13,17,19,29H,1-2,4,6,12H2,(H,27,30)/t17-,19-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277242
PNG
(US10072005, Example 35 | US10072005, Example 36)
Show SMILES O[C@@H]1CC(F)(F)CCC1NC(=O)c1cn(Cc2ccc(F)cc2)c2cccnc12
Show InChI InChI=1S/C21H20F3N3O2/c22-14-5-3-13(4-6-14)11-27-12-15(19-17(27)2-1-9-25-19)20(29)26-16-7-8-21(23,24)10-18(16)28/h1-6,9,12,16,18,28H,7-8,10-11H2,(H,26,29)/t16?,18-/m1/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277254
PNG
(US10072005, Example 47 | US10072005, Example 48)
Show SMILES O[C@@H]1CCCC[C@H]1NC(=O)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H25N5O2/c30-22-7-2-1-5-20(22)27-24(31)19-16-28(21-6-3-12-25-23(19)21)15-17-8-10-18(11-9-17)29-14-4-13-26-29/h3-4,6,8-14,16,20,22,30H,1-2,5,7,15H2,(H,27,31)/t20-,22-/m1/s1
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n/an/an/an/a 25.1n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277257
PNG
(US10072005, Example 50)
Show SMILES O=C(NC1CCCCC1)c1cn(Cc2ccc(cc2)-n2cccn2)c2cccnc12
Show InChI InChI=1S/C24H25N5O/c30-24(27-19-6-2-1-3-7-19)21-17-28(22-8-4-13-25-23(21)22)16-18-9-11-20(12-10-18)29-15-5-14-26-29/h4-5,8-15,17,19H,1-3,6-7,16H2,(H,27,30)
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277273
PNG
(US10072005, Example 66)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(C)c23)cc1C
Show InChI InChI=1S/C24H29N3O3/c1-15-10-11-25-22-18(24(29)26-19-6-4-5-7-20(19)28)14-27(23(15)22)13-17-8-9-21(30-3)16(2)12-17/h8-12,14,19-20,28H,4-7,13H2,1-3H3,(H,26,29)/t19-,20-/m0/s1
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n/an/an/an/a 12.6n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277275
PNG
(US10072005, Example 68)
Show SMILES COc1ccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3nccc(Cl)c23)cn1
Show InChI InChI=1S/C21H23ClN4O3/c1-29-18-7-6-13(10-24-18)11-26-12-14(19-20(26)15(22)8-9-23-19)21(28)25-16-4-2-3-5-17(16)27/h6-10,12,16-17,27H,2-5,11H2,1H3,(H,25,28)/t16-,17-/m0/s1
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Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277284
PNG
(US10072005, Example 77)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccncc2)c2cccnc12
Show InChI InChI=1S/C20H22N4O2/c25-18-6-2-1-4-16(18)23-20(26)15-13-24(12-14-7-10-21-11-8-14)17-5-3-9-22-19(15)17/h3,5,7-11,13,16,18,25H,1-2,4,6,12H2,(H,23,26)/t16-,18-/m0/s1
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n/an/an/an/a 501n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277295
PNG
(US10072005, Example 88)
Show SMILES O[C@H]1COCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)cc2)c2c(Cl)ccnc12
Show InChI InChI=1S/C20H19ClFN3O3/c21-15-5-7-23-18-14(20(27)24-16-6-8-28-11-17(16)26)10-25(19(15)18)9-12-1-3-13(22)4-2-12/h1-5,7,10,16-17,26H,6,8-9,11H2,(H,24,27)/t16-,17-/m0/s1
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n/an/an/an/a 398n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277301
PNG
(US10072005, Example 94)
Show SMILES O[C@H]1CCCC[C@@H]1NC(=O)c1cn(Cc2ccc(F)c(F)c2)c2cccnc12
Show InChI InChI=1S/C21H21F2N3O2/c22-15-8-7-13(10-16(15)23)11-26-12-14(20-18(26)5-3-9-24-20)21(28)25-17-4-1-2-6-19(17)27/h3,5,7-10,12,17,19,27H,1-2,4,6,11H2,(H,25,28)/t17-,19-/m0/s1
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n/an/an/an/a 251n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM277303
PNG
(US10072005, Example 96)
Show SMILES Cc1cccc(Cn2cc(C(=O)N[C@H]3CCCC[C@@H]3O)c3ncccc23)c1
Show InChI InChI=1S/C22H25N3O2/c1-15-6-4-7-16(12-15)13-25-14-17(21-19(25)9-5-11-23-21)22(27)24-18-8-2-3-10-20(18)26/h4-7,9,11-12,14,18,20,26H,2-3,8,10,13H2,1H3,(H,24,27)/t18-,20-/m0/s1
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n/an/an/an/a 200n/an/an/an/a



Eisai R&D Management Co., Ltd.

US Patent


Assay Description
Following agonist data acquisition, cells were then incubated for a further 30 min at room temperature before either an EC20 concentration (to measur...


US Patent US10072005 (2018)

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