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Patent code US8884017

Compile Data Set for Download or QSAR
Found 21 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
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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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))		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=1S/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-/m1/s1
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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))		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=1S/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-/m1/s1
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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))		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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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=1S/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-/m1/s1
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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=1S/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-/m0/s1
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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 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=1S/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-/m0/s1
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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=1S/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-/m0/s1
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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
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM139037
PNG
(US8884017, 78)
Show SMILES Fc1cccc2sc(cc12)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:13.14,(2.63,3.8,;3.4,2.47,;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,;-.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=1S/C16H17FN2OS/c17-12-2-1-3-14-11(12)8-15(21-14)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-/m0/s1
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 80 -37.7n/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))		BDBM139022
PNG
(US8884017, 37)
Show SMILES Nc1cccc2cc(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,;-3.63,-1.27,;-5.14,-1.8,)|
Show InChI InChI=1S/C16H19N3O2/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-/m0/s1
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 80 -37.7n/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
* indicates data uncertainty>20%