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Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'böβ' and Initial = 'f'   
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
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165927
PNG
(US10214524, Example 75 | US9067931, 75)
Show SMILES OC(=O)c1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:21.23,(8.02,-3.33,;7.25,-2,;8.02,-.67,;5.71,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.4,-1.58,)|
Show InChI InChI=1/C23H22N2O3S/c26-22(24-19-13-25-9-7-14(19)8-10-25)20-12-16-4-2-6-18(21(16)29-20)15-3-1-5-17(11-15)23(27)28/h1-6,11-12,14,19H,7-10,13H2,(H,24,26)(H,27,28)/t19-/s2
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<0.100n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125050
PNG
(US8772511, 11 | US9714242, 11)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;6.09,-2,;4.55,-2,;6.86,-.67,;6.09,.67,;4.55,.67,;3.78,-.67,;3.78,2,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;1.47,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|
Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1
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0.400n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125050
PNG
(US8772511, 11 | US9714242, 11)
Show SMILES Fc1cccc(F)c1NC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;6.09,-2,;4.55,-2,;6.86,-.67,;6.09,.67,;4.55,.67,;3.78,-.67,;3.78,2,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;1.47,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|
Show InChI InChI=1S/C23H22F2N4O2S/c24-16-2-1-3-17(25)21(16)28-23(31)26-15-5-4-14-10-20(32-19(14)11-15)22(30)27-18-12-29-8-6-13(18)7-9-29/h1-5,10-11,13,18H,6-9,12H2,(H,27,30)(H2,26,28,31)/t18-/m0/s1
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0.400 -49.9n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165926
PNG
(US10214524, Example 73 | US9067931, 73)
Show SMILES NCc1ccccc1-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,.67,;6.09,.67,;5.32,-.67,;6.09,-2,;5.32,-3.33,;3.78,-3.33,;3.01,-2,;3.78,-.67,;3.01,.67,;3.78,2,;3.01,3.33,;1.47,3.33,;.7,2,;-.8,1.68,;-.96,.15,;.44,-.48,;1.47,.67,;-2.3,-.62,;-2.3,-2.16,;-3.63,.15,;-4.97,-.62,;-4.97,-2.16,;-6.3,-2.93,;-7.63,-2.16,;-7.63,-.62,;-6.3,.15,;-5.53,-1.18,;-7.02,-1.58,)|
Show InChI InChI=1/C23H25N3OS/c24-13-17-4-1-2-6-18(17)19-7-3-5-16-12-21(28-22(16)19)23(27)25-20-14-26-10-8-15(20)9-11-26/h1-7,12,15,20H,8-11,13-14,24H2,(H,25,27)/t20-/s2
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<1n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125047
PNG
(US8772511, 4 | US9714242, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)|
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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<1n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125053
PNG
(US8772511, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(oc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.89,-.53,;-9.38,-.93,;7.63,,;8.4,-1.33,)|
Show InChI InChI=1S/C24H26N4O4/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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<1<-47.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165925
PNG
(US10214524, Example 20 | US9067931, 20)
Show SMILES OCc1ccc(cc1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,-4,;6.09,-4,;5.32,-2.67,;3.78,-2.67,;3.01,-1.33,;3.78,,;5.32,,;6.09,-1.33,;3.01,1.33,;3.78,2.67,;3.01,4,;1.47,4,;.7,2.67,;-.8,2.35,;-.96,.82,;.44,.19,;1.47,1.33,;-2.3,.05,;-2.3,-1.49,;-3.63,.82,;-4.97,.05,;-4.97,-1.49,;-6.3,-2.26,;-7.63,-1.49,;-7.63,.05,;-6.3,.82,;-5.53,-.52,;-7.07,-.93,)|
Show InChI InChI=1/C23H24N2O2S/c26-14-15-4-6-16(7-5-15)19-3-1-2-18-12-21(28-22(18)19)23(27)24-20-13-25-10-8-17(20)9-11-25/h1-7,12,17,20,26H,8-11,13-14H2,(H,24,27)/t20-/s2
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1.60n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139032
PNG
(US8884017, 68)
Show SMILES Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|
Show InChI InChI=1/C16H19N3OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9,17H2,(H,18,20)/t13-/s2
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2 -46.2n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125047
PNG
(US8772511, 4 | US9714242, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)|
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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2.10 -46.0n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125047
PNG
(US8772511, 4 | US9714242, 22)
Show SMILES COc1ccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-1.33,;6.09,,;5.32,1.33,;3.78,1.33,;3.01,,;3.01,2.67,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;.7,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,;7.63,,;8.4,-1.33,)|
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-6-4-17(5-7-19)25-24(30)26-18-3-2-16-12-22(32-21(16)13-18)23(29)27-20-14-28-10-8-15(20)9-11-28/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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2.10n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139033
PNG
(US8884017, 73)
Show SMILES Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(6.48,1.8,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;4.17,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|
Show InChI InChI=1/C16H19N3OS/c17-12-2-1-11-7-15(21-14(11)8-12)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9,17H2,(H,18,20)/t13-/s2
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2.80 -45.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165935
PNG
(US10214524, Example 154 | US9067931, 154)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3cccc(c3)C(=O)NC3CC3)c2o1 |r,wU:3.2,(-4.12,-1.78,;-4.12,-.24,;-5.45,.53,;-6.79,-.24,;-6.79,-1.78,;-8.12,-2.55,;-9.45,-1.78,;-9.45,-.24,;-8.12,.53,;-7.46,-.73,;-8.89,-1.17,;-2.79,.53,;-2.63,2.07,;-1.12,2.39,;-.35,3.72,;1.19,3.72,;1.96,2.39,;1.19,1.05,;1.96,-.28,;1.19,-1.62,;1.96,-2.95,;3.5,-2.95,;4.27,-1.62,;3.5,-.28,;5.81,-1.62,;6.58,-.28,;6.58,-2.95,;8.12,-2.95,;9.45,-3.72,;9.45,-2.18,;-.35,1.05,;-1.38,-.09,)|
Show InChI InChI=1/C26H27N3O3/c30-25(27-20-7-8-20)19-5-1-3-17(13-19)21-6-2-4-18-14-23(32-24(18)21)26(31)28-22-15-29-11-9-16(22)10-12-29/h1-6,13-14,16,20,22H,7-12,15H2,(H,27,30)(H,28,31)/t22-/s2
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3n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139027
PNG
(US8884017, 58)
Show SMILES Fc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|
Show InChI InChI=1/C16H17FN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/s2
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3.10 -45.1n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165928
PNG
(US10214524, Example 76 | US9067931, 76)
Show SMILES CNC(=O)NCc1ccccc1-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,-2,;8.4,-.67,;6.86,-.67,;6.09,-2,;6.09,.67,;4.55,.67,;3.78,-.67,;4.55,-2,;3.78,-3.33,;2.24,-3.33,;1.47,-2,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|
Show InChI InChI=1/C25H28N4O2S/c1-26-25(31)27-14-18-5-2-3-7-19(18)20-8-4-6-17-13-22(32-23(17)20)24(30)28-21-15-29-11-9-16(21)10-12-29/h2-8,13,16,21H,9-12,14-15H2,1H3,(H,28,30)(H2,26,27,31)/t21-/s2
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3.30n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139020
PNG
(US8884017, 35)
Show SMILES Nc1ccc2cc(oc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(6.48,1.8,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;4.17,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.4,-1.27,;-5.91,-1.8,)|
Show InChI InChI=1/C16H19N3O2/c17-12-2-1-11-7-15(21-14(11)8-12)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9,17H2,(H,18,20)/t13-/s2
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3.70 -44.7n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139026
PNG
(US8884017, 51)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccccc2s1 |r,wU:3.2,(-.37,-2.36,;-.37,-.82,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.09,-1.78,;.96,-.05,;1.12,1.48,;2.63,1.8,;3.4,3.13,;4.94,3.13,;5.71,1.8,;4.94,.47,;3.4,.47,;2.37,-.68,)|
Show InChI InChI=1/C16H18N2OS/c19-16(15-9-12-3-1-2-4-14(12)20-15)17-13-10-18-7-5-11(13)6-8-18/h1-4,9,11,13H,5-8,10H2,(H,17,19)/t13-/s2
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3.90 -44.6n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125051
PNG
(US8772511, 16 | US9714242, 16)
Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wU:23.24,(10.33,-3.33,;9.56,-2,;8.02,-2,;7.25,-3.33,;5.71,-3.33,;4.94,-2,;5.71,-.67,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;.32,3.33,;-1.22,3.33,;-1.99,2,;-3.5,1.68,;-3.66,.15,;-2.25,-.48,;-1.22,.67,;.32,.67,;-4.99,-.62,;-4.99,-2.16,;-6.33,.15,;-7.66,-.62,;-7.66,-2.16,;-8.99,-2.93,;-10.33,-2.16,;-10.33,-.62,;-8.99,.15,;-8.22,-1.18,;-9.71,-1.58,;7.25,-.67,)|
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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4.30n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125052
PNG
(US8772511, 21 | US9714242, 21)
Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)|
Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1
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4.30 -44.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139035
PNG
(US8884017, 76)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|
Show InChI InChI=1/C17H20N2O2S/c1-21-14-4-2-3-12-9-15(22-16(12)14)17(20)18-13-10-19-7-5-11(13)6-8-19/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)/t13-/s2
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6.70 -43.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125049
PNG
(US8772511, 6 | US9714242, 6)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)|
Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1
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Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125049
PNG
(US8772511, 6 | US9714242, 6)
Show SMILES O=C(Nc1cccc(c1)C#N)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.19,-.67,;2.96,.67,;4.5,.67,;5.27,-.67,;4.5,-2,;5.27,-3.33,;6.81,-3.33,;7.64,-2,;6.81,-.67,;9.18,-2,;10.72,-2,;2.19,2,;.65,2,;-.12,3.33,;-1.66,3.33,;-2.43,2,;-3.93,1.68,;-4.1,.15,;-2.69,-.48,;-1.66,.67,;-.12,.67,;-5.43,-.62,;-5.43,-2.16,;-6.76,.15,;-8.1,-.62,;-8.1,-2.16,;-9.43,-2.93,;-10.76,-2.16,;-10.76,-.62,;-9.43,.15,;-8.66,-1.18,;-10.15,-1.58,)|
Show InChI InChI=1S/C24H23N5O2S/c25-13-15-2-1-3-18(10-15)26-24(31)27-19-5-4-17-11-22(32-21(17)12-19)23(30)28-20-14-29-8-6-16(20)7-9-29/h1-5,10-12,16,20H,6-9,14H2,(H,28,30)(H2,26,27,31)/t20-/m0/s1
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7.90 -43.0n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165937
PNG
(US10214524, Example 175 | US9067931, 175)
Show SMILES CNC(=O)NCc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.17,3.33,;8.4,2,;6.86,2,;6.09,3.33,;6.09,.67,;4.55,.67,;3.78,-.67,;4.55,-2,;3.78,-3.33,;2.24,-3.33,;1.47,-2,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.07,-1.18,;-8.56,-1.58,)|
Show InChI InChI=1/C25H28N4O3/c1-26-25(31)27-14-18-5-2-3-7-19(18)20-8-4-6-17-13-22(32-23(17)20)24(30)28-21-15-29-11-9-16(21)10-12-29/h2-8,13,16,21H,9-12,14-15H2,1H3,(H,28,30)(H2,26,27,31)/t21-/s2
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8.30n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165936
PNG
(US10214524, Example 163 | US9067931, 163)
Show SMILES CN1CCN(CC1)C(=O)c1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:27.30,(9.17,-5.33,;8.4,-4,;6.86,-4,;6.09,-2.67,;6.86,-1.33,;8.4,-1.33,;9.17,-2.67,;6.09,,;6.86,1.33,;4.55,,;3.78,-1.33,;2.24,-1.33,;1.47,,;2.24,1.33,;3.78,1.33,;1.47,2.67,;2.24,4,;1.47,5.33,;-.07,5.33,;-.84,4,;-2.34,3.68,;-2.5,2.15,;-1.1,1.52,;-.07,2.67,;-3.84,1.38,;-3.84,-.16,;-5.17,2.15,;-6.51,1.38,;-6.51,-.16,;-7.84,-.93,;-9.17,-.16,;-9.17,1.38,;-7.84,2.15,;-7.07,.82,;-8.63,.28,)|
Show InChI InChI=1/C28H32N4O3/c1-30-12-14-32(15-13-30)28(34)22-6-2-4-20(16-22)23-7-3-5-21-17-25(35-26(21)23)27(33)29-24-18-31-10-8-19(24)9-11-31/h2-7,16-17,19,24H,8-15,18H2,1H3,(H,29,33)/t24-/s2
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14n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165929
PNG
(US10214524, Example 90 | US9067931, 90)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)N3CCOCC3=O)c2o1 |r,wU:3.2,(-2.68,-.16,;-2.68,1.38,;-4.02,2.15,;-5.35,1.38,;-5.35,-.16,;-6.68,-.93,;-8.02,-.16,;-8.02,1.38,;-6.68,2.15,;-5.91,.82,;-7.45,.4,;-1.35,2.15,;-1.19,3.68,;.32,4,;1.09,5.33,;2.63,5.33,;3.4,4,;2.63,2.67,;3.4,1.33,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;4.94,1.33,;5.71,-2.67,;4.94,-4,;5.71,-5.33,;7.25,-5.33,;8.02,-4,;7.25,-2.67,;8.02,-1.33,;1.09,2.67,;.06,1.52,)|
Show InChI InChI=1/C26H27N3O4/c30-24-16-32-13-12-29(24)20-6-4-17(5-7-20)21-3-1-2-19-14-23(33-25(19)21)26(31)27-22-15-28-10-8-18(22)9-11-28/h1-7,14,18,22H,8-13,15-16H2,(H,27,31)/t22-/s2
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14n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125051
PNG
(US8772511, 16 | US9714242, 16)
Show SMILES COc1cccc(NC(=O)Nc2ccc3cc(sc3c2)C(=O)N[C@H]2CN3CCC2CC3)c1 |r,wU:23.24,(10.33,-3.33,;9.56,-2,;8.02,-2,;7.25,-3.33,;5.71,-3.33,;4.94,-2,;5.71,-.67,;4.94,.67,;3.4,.67,;2.63,-.67,;2.63,2,;1.09,2,;.32,3.33,;-1.22,3.33,;-1.99,2,;-3.5,1.68,;-3.66,.15,;-2.25,-.48,;-1.22,.67,;.32,.67,;-4.99,-.62,;-4.99,-2.16,;-6.33,.15,;-7.66,-.62,;-7.66,-2.16,;-8.99,-2.93,;-10.33,-2.16,;-10.33,-.62,;-8.99,.15,;-8.22,-1.18,;-9.71,-1.58,;7.25,-.67,)|
Show InChI InChI=1S/C24H26N4O3S/c1-31-19-4-2-3-17(12-19)25-24(30)26-18-6-5-16-11-22(32-21(16)13-18)23(29)27-20-14-28-9-7-15(20)8-10-28/h2-6,11-13,15,20H,7-10,14H2,1H3,(H,27,29)(H2,25,26,30)/t20-/m0/s1
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15 -41.5n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125052
PNG
(US8772511, 21 | US9714242, 21)
Show SMILES O=C(Nc1ccccc1)Nc1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:22.24,(4.55,.67,;3.78,-.67,;4.55,-2,;6.09,-2,;6.86,-.67,;8.4,-.67,;9.17,-2,;8.4,-3.33,;6.86,-3.33,;2.24,-.67,;1.47,.67,;2.24,2,;1.47,3.33,;-.07,3.33,;-.84,2,;-2.34,1.68,;-2.5,.15,;-1.1,-.48,;-.07,.67,;-3.84,-.62,;-3.84,-2.16,;-5.17,.15,;-6.51,-.62,;-6.51,-2.16,;-7.84,-2.93,;-9.17,-2.16,;-9.17,-.62,;-7.84,.15,;-7.12,-1.2,;-8.61,-1.6,)|
Show InChI InChI=1S/C23H24N4O2S/c28-22(25-19-14-27-11-9-15(19)10-12-27)20-13-16-5-4-8-18(21(16)30-20)26-23(29)24-17-6-2-1-3-7-17/h1-8,13,15,19H,9-12,14H2,(H,25,28)(H2,24,26,29)/t19-/m0/s1
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15n/an/an/an/an/an/a7.4n/a



Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165923
PNG
(US10214524, Example 17 | US9067931, 17)
Show SMILES COc1cccc(c1)-c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(8.07,-.67,;7.3,-2,;5.76,-2,;4.94,-3.33,;3.4,-3.33,;2.63,-2,;3.4,-.67,;4.94,-.67,;2.63,.67,;3.4,2,;2.63,3.33,;1.09,3.33,;.32,2,;-1.19,1.68,;-1.35,.15,;.06,-.48,;1.09,.67,;-2.68,-.62,;-2.68,-2.16,;-4.02,.15,;-5.35,-.62,;-5.35,-2.16,;-6.68,-2.93,;-8.02,-2.16,;-8.02,-.62,;-6.68,.15,;-5.91,-1.18,;-7.45,-1.6,)|
Show InChI InChI=1/C23H24N2O2S/c1-27-18-6-2-4-16(12-18)19-7-3-5-17-13-21(28-22(17)19)23(26)24-20-14-25-10-8-15(20)9-11-25/h2-7,12-13,15,20H,8-11,14H2,1H3,(H,24,26)/t20-/s2
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17n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165930
PNG
(US10214524, Example 108 | US9067931, 108)
Show SMILES CCNC(=O)Nc1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(9.94,-4,;8.4,-4,;7.63,-2.67,;6.09,-2.67,;5.32,-4,;5.32,-1.33,;3.78,-1.33,;3.01,-2.67,;1.47,-2.67,;.7,-1.33,;1.47,,;3.01,,;.7,1.33,;1.47,2.67,;.7,4,;-.84,4,;-1.61,2.67,;-3.11,2.35,;-3.27,.82,;-1.87,.19,;-.84,1.33,;-4.61,.05,;-4.61,-1.49,;-5.94,.82,;-7.28,.05,;-7.28,-1.49,;-8.61,-2.26,;-9.94,-1.49,;-9.94,.05,;-8.61,.82,;-7.84,-.52,;-9.33,-.92,)|
Show InChI InChI=1/C25H28N4O3/c1-2-26-25(31)27-19-7-3-5-17(13-19)20-8-4-6-18-14-22(32-23(18)20)24(30)28-21-15-29-11-9-16(21)10-12-29/h3-8,13-14,16,21H,2,9-12,15H2,1H3,(H,28,30)(H2,26,27,31)/t21-/s2
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17n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165931
PNG
(US10214524, Example 116 | US9067931, 116)
Show SMILES O=C(Nc1cccc(c1)-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2)C1CC1 |r,wU:21.23,(5.81,-4,;6.58,-2.67,;5.81,-1.33,;4.27,-1.33,;3.5,-2.67,;1.96,-2.67,;1.19,-1.33,;1.96,,;3.5,,;1.19,1.33,;1.96,2.67,;1.19,4,;-.35,4,;-1.12,2.67,;-2.63,2.35,;-2.79,.82,;-1.38,.19,;-.35,1.33,;-4.12,.05,;-4.12,-1.49,;-5.45,.82,;-6.79,.05,;-6.79,-1.49,;-8.12,-2.26,;-9.45,-1.49,;-9.45,.05,;-8.12,.82,;-7.46,-.45,;-8.89,-.89,;8.12,-2.67,;9.45,-3.44,;9.45,-1.9,)|
Show InChI InChI=1/C26H27N3O3/c30-25(17-7-8-17)27-20-5-1-3-18(13-20)21-6-2-4-19-14-23(32-24(19)21)26(31)28-22-15-29-11-9-16(22)10-12-29/h1-6,13-14,16-17,22H,7-12,15H2,(H,27,30)(H,28,31)/t22-/s2
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17n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139036
PNG
(US8884017, 77)
Show SMILES COc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|
Show InChI InChI=1/C17H20N2O2S/c1-21-14-4-2-3-12-9-15(22-16(12)14)17(20)18-13-10-19-7-5-11(13)6-8-19/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)/t13-/s2
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20 -40.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165924
PNG
(US10214524, Example 19 | US9067931, 19)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2cccc(-c3ccc(cc3)N3CCOCC3)c2s1 |r,wU:3.2,(-2.68,-.16,;-2.68,1.38,;-4.02,2.15,;-5.35,1.38,;-5.35,-.16,;-6.68,-.93,;-8.02,-.16,;-8.02,1.38,;-6.68,2.15,;-5.91,.82,;-7.45,.4,;-1.35,2.15,;-1.19,3.68,;.32,4,;1.09,5.33,;2.63,5.33,;3.4,4,;2.63,2.67,;3.4,1.33,;2.63,,;3.4,-1.33,;4.94,-1.33,;5.71,,;4.94,1.33,;5.71,-2.67,;4.94,-4,;5.71,-5.33,;7.25,-5.33,;8.02,-4,;7.25,-2.67,;1.09,2.67,;.06,1.52,)|
Show InChI InChI=1/C26H29N3O2S/c30-26(27-23-17-28-10-8-19(23)9-11-28)24-16-20-2-1-3-22(25(20)32-24)18-4-6-21(7-5-18)29-12-14-31-15-13-29/h1-7,16,19,23H,8-15,17H2,(H,27,30)/t23-/s2
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20n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139028
PNG
(US8884017, 59)
Show SMILES Fc1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.14,-1.8,)|
Show InChI InChI=1/C16H17FN2OS/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/s2
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20 -40.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139030
PNG
(US8884017, 64)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(5.81,-2.2,;5.04,-.87,;3.71,-1.64,;6.37,-.1,;4.27,.47,;5.04,1.8,;4.27,3.13,;2.73,3.13,;1.96,1.8,;.45,1.48,;.29,-.05,;1.7,-.68,;2.73,.47,;-1.04,-.82,;-1.04,-2.36,;-2.37,-.05,;-3.71,-.82,;-3.71,-2.36,;-5.04,-3.13,;-6.37,-2.36,;-6.37,-.82,;-5.04,-.05,;-4.27,-1.39,;-5.81,-1.8,)|
Show InChI InChI=1/C17H17F3N2OS/c18-17(19,20)12-3-1-2-11-8-14(24-15(11)12)16(23)21-13-9-22-6-4-10(13)5-7-22/h1-3,8,10,13H,4-7,9H2,(H,21,23)/t13-/s2
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20 -40.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125048
PNG
(US8772511, 5 | US9714242, 5)
Show SMILES O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.63,,;3.4,1.33,;4.94,1.33,;5.71,,;7.25,,;8.02,-1.33,;7.25,-2.67,;8.02,-4,;9.56,-4,;10.33,-2.67,;9.56,-1.33,;2.63,2.67,;1.09,2.67,;.32,4,;-1.22,4,;-1.99,2.67,;-3.5,2.35,;-3.66,.82,;-2.25,.19,;-1.22,1.33,;.32,1.33,;-4.99,.05,;-4.99,-1.49,;-6.33,.82,;-7.66,.05,;-7.66,-1.49,;-8.99,-2.26,;-10.33,-1.49,;-10.33,.05,;-8.99,.82,;-8.22,-.52,;-9.71,-.92,)|
Show InChI InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1
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22 -40.6n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
Rat brain tissue (hippocampus or whole brain) is homogenized in aqueous homogenization buffer (10% w/v, 0.32 M sucrose, 1 mM EDTA, 0.1 mM phenylmethy...


US Patent US8772511 (2014)


BindingDB Entry DOI: 10.7270/Q2GQ6WF2
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139034
PNG
(US8884017, 74)
Show SMILES Fc1ccc2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|
Show InChI InChI=1/C16H17FN2OS/c17-12-1-2-14-11(7-12)8-15(21-14)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9H2,(H,18,20)/t13-/s2
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22 -40.6n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM125048
PNG
(US8772511, 5 | US9714242, 5)
Show SMILES O=C(NCCc1ccccc1)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:24.26,(2.63,,;3.4,1.33,;4.94,1.33,;5.71,,;7.25,,;8.02,-1.33,;7.25,-2.67,;8.02,-4,;9.56,-4,;10.33,-2.67,;9.56,-1.33,;2.63,2.67,;1.09,2.67,;.32,4,;-1.22,4,;-1.99,2.67,;-3.5,2.35,;-3.66,.82,;-2.25,.19,;-1.22,1.33,;.32,1.33,;-4.99,.05,;-4.99,-1.49,;-6.33,.82,;-7.66,.05,;-7.66,-1.49,;-8.99,-2.26,;-10.33,-1.49,;-10.33,.05,;-8.99,.82,;-8.22,-.52,;-9.71,-.92,)|
Show InChI InChI=1S/C25H28N4O2S/c30-24(28-21-16-29-12-9-18(21)10-13-29)23-14-19-6-7-20(15-22(19)32-23)27-25(31)26-11-8-17-4-2-1-3-5-17/h1-7,14-15,18,21H,8-13,16H2,(H,28,30)(H2,26,27,31)/t21-/m0/s1
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Bayer Intellectual Property GmbH

US Patent




US Patent US9714242 (2017)


BindingDB Entry DOI: 10.7270/Q2M61N83
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165922
PNG
(US10214524, Example 4 | US9067931, 4)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc(cc2o1)-c1ccc(cc1)N1CCOCC1 |r,wU:3.2,(-4.99,-2.36,;-4.99,-.82,;-6.33,-.05,;-7.66,-.82,;-7.66,-2.36,;-8.99,-3.13,;-10.33,-2.36,;-10.33,-.82,;-8.99,-.05,;-8.22,-1.39,;-9.71,-1.79,;-3.66,-.05,;-3.5,1.48,;-1.99,1.8,;-1.22,3.13,;.32,3.13,;1.09,1.8,;.32,.47,;-1.22,.47,;-2.25,-.68,;2.63,1.8,;3.4,.47,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;7.25,1.8,;8.02,.47,;9.56,.47,;10.33,1.8,;9.56,3.13,;8.02,3.13,)|
Show InChI InChI=1/C26H29N3O3/c30-26(27-23-17-28-9-7-19(23)8-10-28)25-16-21-2-1-20(15-24(21)32-25)18-3-5-22(6-4-18)29-11-13-31-14-12-29/h1-6,15-16,19,23H,7-14,17H2,(H,27,30)/t23-/s2
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24n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393246
PNG
(CHEMBL2151440 | US10214524, Example 130 | US906793...)
Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)|
Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1
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26n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139039
PNG
(US8884017, 88)
Show SMILES CC(=O)Nc1ccc2cc(sc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:16.17,(5.32,-.87,;6.09,.47,;7.63,.47,;5.32,1.8,;3.78,1.8,;3.01,3.13,;1.47,3.13,;.7,1.8,;-.8,1.48,;-.96,-.05,;.44,-.68,;1.47,.47,;3.01,.47,;-2.3,-.82,;-2.3,-2.36,;-3.63,-.05,;-4.97,-.82,;-4.97,-2.36,;-6.3,-3.13,;-7.63,-2.36,;-7.63,-.82,;-6.3,-.05,;-5.53,-1.39,;-7.02,-1.78,)|
Show InChI InChI=1/C18H21N3O2S/c1-11(22)19-14-3-2-13-8-17(24-16(13)9-14)18(23)20-15-10-21-6-4-12(15)5-7-21/h2-3,8-9,12,15H,4-7,10H2,1H3,(H,19,22)(H,20,23)/t15-/s2
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28 -40.1n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139038
PNG
(US8884017, 80)
Show SMILES Fc1cc(F)c2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;5.71,-1.54,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|
Show InChI InChI=1/C16H16F2N2OS/c17-11-5-10-6-14(22-15(10)12(18)7-11)16(21)19-13-8-20-3-1-9(13)2-4-20/h5-7,9,13H,1-4,8H2,(H,19,21)/t13-/s2
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31 -39.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165933
PNG
(US10214524, Example 150 | US9067931, 150)
Show SMILES OCc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(7.63,.67,;6.09,.67,;5.32,-.67,;6.09,-2,;5.32,-3.33,;3.78,-3.33,;3.01,-2,;3.78,-.67,;3.01,.67,;3.78,2,;3.01,3.33,;1.47,3.33,;.7,2,;-.8,1.68,;-.96,.15,;.44,-.48,;1.47,.67,;-2.3,-.62,;-2.3,-2.16,;-3.63,.15,;-4.97,-.62,;-4.97,-2.16,;-6.3,-2.93,;-7.63,-2.16,;-7.63,-.62,;-6.3,.15,;-5.53,-1.18,;-7.07,-1.6,)|
Show InChI InChI=1/C23H24N2O3/c26-14-17-4-1-2-6-18(17)19-7-3-5-16-12-21(28-22(16)19)23(27)24-20-13-25-10-8-15(20)9-11-25/h1-7,12,15,20,26H,8-11,13-14H2,(H,24,27)/t20-/s2
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35n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139023
PNG
(US8884017, 42)
Show SMILES Fc1ccc2oc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.09,-2.45,)|
Show InChI InChI=1/C16H17FN2O2/c17-12-1-2-14-11(7-12)8-15(21-14)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9H2,(H,18,20)/t13-/s2
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37 -39.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139019
PNG
(US8884017, 19)
Show SMILES COc1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:14.15,(6.48,-.87,;4.94,-.87,;4.17,.47,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.37,-1.39,;-5.86,-1.78,)|
Show InChI InChI=1/C17H20N2O3/c1-21-14-4-2-3-12-9-15(22-16(12)14)17(20)18-13-10-19-7-5-11(13)6-8-19/h2-4,9,11,13H,5-8,10H2,1H3,(H,18,20)/t13-/s2
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42 -39.1n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139029
PNG
(US8884017, 62)
Show SMILES Nc1ccc2sc(cc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,3.8,;4.94,2.47,;5.71,1.13,;4.94,-.2,;3.4,-.2,;2.37,-1.35,;.96,-.72,;1.12,.81,;2.63,1.13,;3.4,2.47,;-.37,-1.49,;-.37,-3.03,;-1.71,-.72,;-3.04,-1.49,;-3.04,-3.03,;-4.37,-3.8,;-5.71,-3.03,;-5.71,-1.49,;-4.37,-.72,;-3.6,-2.05,;-5.14,-2.47,)|
Show InChI InChI=1/C16H19N3OS/c17-12-1-2-14-11(7-12)8-15(21-14)16(20)18-13-9-19-5-3-10(13)4-6-19/h1-2,7-8,10,13H,3-6,9,17H2,(H,18,20)/t13-/s2
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50 -38.7n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139031
PNG
(US8884017, 65)
Show SMILES FC(F)(F)c1cccc2cc(sc12)C(=O)N[C@@H]1CN2CCC1CC2 |r,wD:16.17,(5.81,-2.2,;5.04,-.87,;3.71,-1.64,;6.37,-.1,;4.27,.47,;5.04,1.8,;4.27,3.13,;2.73,3.13,;1.96,1.8,;.45,1.48,;.29,-.05,;1.7,-.68,;2.73,.47,;-1.04,-.82,;-1.04,-2.36,;-2.37,-.05,;-3.71,-.82,;-3.71,-2.36,;-5.04,-3.13,;-6.37,-2.36,;-6.37,-.82,;-5.04,-.05,;-4.27,-1.39,;-5.81,-1.8,)|
Show InChI InChI=1/C17H17F3N2OS/c18-17(19,20)12-3-1-2-11-8-14(24-15(11)12)16(23)21-13-9-22-6-4-10(13)5-7-22/h1-3,8,10,13H,4-7,9H2,(H,21,23)/t13-/s2
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55 -38.5n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139024
PNG
(US8884017, 46)
Show SMILES Brc1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(5.71,-.87,;4.94,.47,;5.71,1.8,;4.94,3.13,;3.4,3.13,;2.63,1.8,;1.12,1.48,;.96,-.05,;2.37,-.68,;3.4,.47,;-.37,-.82,;-.37,-2.36,;-1.71,-.05,;-3.04,-.82,;-3.04,-2.36,;-4.37,-3.13,;-5.71,-2.36,;-5.71,-.82,;-4.37,-.05,;-3.6,-1.39,;-5.09,-1.78,)|
Show InChI InChI=1/C16H17BrN2O2/c17-12-3-1-2-11-8-14(21-15(11)12)16(20)18-13-9-19-6-4-10(13)5-7-19/h1-3,8,10,13H,4-7,9H2,(H,18,20)/t13-/s2
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58 -38.4n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM165921
PNG
(US10214524, Example 3 | US9067931, 3)
Show SMILES OCc1ccc(cc1)-c1ccc2cc(oc2c1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(9.17,.47,;8.4,1.8,;6.86,1.8,;6.09,.47,;4.55,.47,;3.78,1.8,;4.55,3.13,;6.09,3.13,;2.24,1.8,;1.47,3.13,;-.07,3.13,;-.84,1.8,;-2.34,1.48,;-2.5,-.05,;-1.1,-.68,;-.07,.47,;1.47,.47,;-3.84,-.82,;-3.84,-2.36,;-5.17,-.05,;-6.51,-.82,;-6.51,-2.36,;-7.84,-3.13,;-9.17,-2.36,;-9.17,-.82,;-7.84,-.05,;-7.07,-1.39,;-8.56,-1.78,)|
Show InChI InChI=1/C23H24N2O3/c26-14-15-1-3-16(4-2-15)18-5-6-19-12-22(28-21(19)11-18)23(27)24-20-13-25-9-7-17(20)8-10-25/h1-6,11-12,17,20,26H,7-10,13-14H2,(H,24,27)/t20-/s2
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60n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor


(Rattus norvegicus (Rat))
BDBM50393246
PNG
(CHEMBL2151440 | US10214524, Example 130 | US906793...)
Show SMILES COc1ccccc1-c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:20.22,(20.47,-38.31,;21.24,-39.65,;20.47,-40.97,;21.23,-42.31,;20.45,-43.65,;18.91,-43.64,;18.15,-42.3,;18.93,-40.97,;18.17,-39.63,;18.95,-38.31,;18.18,-36.97,;16.65,-36.97,;15.88,-38.29,;14.37,-38.6,;14.21,-40.14,;15.61,-40.76,;16.64,-39.62,;12.87,-40.91,;12.86,-42.45,;11.54,-40.13,;10.2,-40.89,;10.2,-42.43,;8.87,-43.19,;7.54,-42.43,;7.54,-40.89,;8.87,-40.11,;9.63,-41.44,;8.13,-41.84,)|
Show InChI InChI=1S/C23H24N2O3/c1-27-20-8-3-2-6-17(20)18-7-4-5-16-13-21(28-22(16)18)23(26)24-19-14-25-11-9-15(19)10-12-25/h2-8,13,15,19H,9-12,14H2,1H3,(H,24,26)/t19-/m0/s1
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62n/an/an/an/an/an/an/an/a



BAYER INTELLECTUAL PROPERTY GMBH

US Patent




US Patent US10214524 (2019)

More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139021
PNG
(US8884017, 36)
Show SMILES [O-][N+](=O)c1cccc2cc(oc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:15.16,(4.24,-2.23,;4.99,-.89,;6.53,-.88,;4.21,.43,;4.94,1.8,;4.17,3.13,;2.63,3.13,;1.86,1.8,;.35,1.48,;.19,-.05,;1.6,-.68,;2.63,.47,;-1.14,-.82,;-1.14,-2.36,;-2.48,-.05,;-3.81,-.82,;-3.81,-2.36,;-5.14,-3.13,;-6.48,-2.36,;-6.48,-.82,;-5.14,-.05,;-4.4,-1.27,;-5.91,-1.8,)|
Show InChI InChI=1/C16H17N3O4/c20-16(17-12-9-18-6-4-10(12)5-7-18)14-8-11-2-1-3-13(19(21)22)15(11)23-14/h1-3,8,10,12H,4-7,9H2,(H,17,20)/t12-/s2
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63 -38.2n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))
BDBM139025
PNG
(US8884017, 48)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccc3ccccc3c2o1 |r,wU:3.2,(-1.53,-2.36,;-1.53,-.82,;-2.86,-.05,;-4.2,-.82,;-4.2,-2.36,;-5.53,-3.13,;-6.86,-2.36,;-6.86,-.82,;-5.53,-.05,;-4.76,-1.39,;-6.25,-1.78,;-.19,-.05,;-.03,1.48,;1.47,1.8,;2.24,3.13,;3.78,3.13,;4.55,1.8,;6.09,1.8,;6.86,.47,;6.09,-.87,;4.55,-.87,;3.78,.47,;2.24,.47,;1.21,-.68,)|
Show InChI InChI=1/C20H20N2O2/c23-20(21-17-12-22-9-7-14(17)8-10-22)18-11-15-6-5-13-3-1-2-4-16(13)19(15)24-18/h1-6,11,14,17H,7-10,12H2,(H,21,23)/t17-/s2
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75 -37.8n/an/an/an/an/a7.44



Bayer Intellectual Property GmbH

US Patent


Assay Description
The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. in Neuropharmacol. 1999, 38, 679-690.Rat brain t...


US Patent US8884017 (2014)


BindingDB Entry DOI: 10.7270/Q2MK6BK3
More data for this
Ligand-Target Pair
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