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Found 2128 hits Enz. Inhib. hit(s) with Target = 'Neuronal acetylcholine receptor protein alpha-7 subunit'   
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))		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))		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))		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))		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
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))		BDBM50143314
PNG
((+)-Epibatidine | (-)-epibatidine | (1R,2R,4S)-2-(...)
Show SMILES Clc1ccc(cn1)[C@H]1C[C@@H]2CC[C@H]1N2 |THB:4:7:13:11.10|
Show InChI InChI=1S/C11H13ClN2/c12-11-4-1-7(6-13-11)9-5-8-2-3-10(9)14-8/h1,4,6,8-10,14H,2-3,5H2/t8-,9+,10+/m0/s1
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n/an/an/an/a 28n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM82070
PNG
(CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...)
Show SMILES CN1CCC[C@H]1c1cccnc1 |r|
Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1
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n/an/an/an/a 740n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair		3D
3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91593
PNG
(DMXB-A)
Show SMILES COc1ccc(\C=C2/C=CCN=C2c2cccnc2)c(OC)c1 |c:8,11|
Show InChI InChI=1S/C19H18N2O2/c1-22-17-8-7-14(18(12-17)23-2)11-15-5-4-10-21-19(15)16-6-3-9-20-13-16/h3-9,11-13H,10H2,1-2H3/b15-11+
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n/an/an/an/a 2.40E+3n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91594
PNG
(Tropisetron)
Show SMILES [H]C12CC[C@@H](C[C@H](C1)OC(=O)c1c[nH]c3ccccc13)N2C |TLB:8:6:20:2.3|
Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12?,13+/m0/s1
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n/an/an/an/a 92n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50161764
PNG
((R)-4-chloro-N-(quinuclidin-3-yl)benzamide | (R)-4...)
Show SMILES Clc1ccc(cc1)C(=O)N[C@H]1CN2CCC1CC2 |r,wU:10.10,TLB:9:10:14.13:16.17,(9.34,-31.61,;10.67,-32.38,;10.67,-33.92,;12,-34.69,;13.35,-33.92,;13.34,-32.37,;12,-31.6,;14.68,-34.69,;16.01,-33.92,;14.68,-36.23,;16.02,-37,;16.46,-35.89,;16.53,-37.53,;15.18,-38.13,;14.9,-39.53,;16.27,-38.89,;17.81,-39.55,;18,-38.17,)|
Show InChI InChI=1S/C14H17ClN2O/c15-12-3-1-11(2-4-12)14(18)16-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1
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n/an/an/an/a 40n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM50190786
PNG
((R)-N-(quinuclidin-3-yl)furo[2,3-c]pyridine-5-carb...)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1cc2ccoc2cn1 |wU:3.2,(-5.16,-23.46,;-5.16,-25,;-3.82,-25.76,;-2.49,-24.99,;-2.5,-23.45,;-1.16,-22.68,;.18,-23.45,;.18,-24.99,;-1.15,-25.76,;-2.03,-24.61,;-1.21,-23.81,;-6.49,-25.78,;-7.83,-25.01,;-9.15,-25.79,;-10.62,-25.31,;-11.52,-26.55,;-10.62,-27.8,;-9.16,-27.33,;-7.82,-28.1,;-6.48,-27.33,)|
Show InChI InChI=1S/C15H17N3O2/c19-15(12-7-11-3-6-20-14(11)8-16-12)17-13-9-18-4-1-10(13)2-5-18/h3,6-8,10,13H,1-2,4-5,9H2,(H,17,19)/t13-/m0/s1
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n/an/an/an/a 4.20n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91595
PNG
(PHA568487)
Show SMILES O=C(N[C@H]1CN2CCC1CC2)c1ccc2OCCOc2c1 |wU:3.2,THB:2:3:6.7:9.10,(5.33,-4.62,;5.33,-3.08,;6.67,-2.31,;8,-3.08,;9.22,-2.29,;9.13,-3.83,;10.33,-5.04,;9.09,-5.75,;7.93,-4.59,;6.35,-5.14,;7.23,-4.3,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;1.33,-.77,;;,1.54,;1.33,2.31,;2.67,1.54,;2.67,,;4,-.77,)|
Show InChI InChI=1S/C16H20N2O3/c19-16(17-13-10-18-5-3-11(13)4-6-18)12-1-2-14-15(9-12)21-8-7-20-14/h1-2,9,11,13H,3-8,10H2,(H,17,19)/t13-/m0/s1
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n/an/an/an/a 35n/an/a7.420



UC San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ul of 0.2 mg/ml an...

Taylor Research Group (2014)


BindingDB Entry DOI: 10.7270/Q2DR2T3Z
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91596
PNG
(alpha7 agonists 1)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3CCCC3)nn2)cc1=O |^1:16|
Show InChI InChI=1S/C19H23N5O2/c1-22-17-7-3-2-6-16(17)18(12-19(22)25)26-14-15-13-24(21-20-15)11-10-23-8-4-5-9-23/h2-3,6-7,12-13H,4-5,8-11,14H2,1H3/q+1
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n/an/an/an/a 3.70E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91707
PNG
(alpha7 agonists 1')
Show SMILES Cn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C14H14N4O2/c1-17-12-6-4-3-5-11(12)13(7-14(17)19)20-9-10-8-15-16-18(10)2/h3-8H,9H2,1-2H3
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n/an/an/an/a 6.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91598
PNG
(alpha7 agonists 2)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]3(C)CCCCC3)nn2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-5-4-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-13-26(2)11-6-3-7-12-26/h4-5,8-9,14-15H,3,6-7,10-13,16H2,1-2H3/q+1
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n/an/an/an/a 1.20E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91599
PNG
(2' | alpha7 agonists 2')
Show SMILES CCC[N+](C)(C)CCn1nncc1COc1cc(=O)n(C)c2ccccc12
Show InChI InChI=1S/C20H28N5O2/c1-5-11-25(3,4)12-10-24-16(14-21-22-24)15-27-19-13-20(26)23(2)18-9-7-6-8-17(18)19/h6-9,13-14H,5,10-12,15H2,1-4H3/q+1
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n/an/an/an/a 4.20E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91600
PNG
(alpha7 agonists 3)
Show SMILES Cn1c2ccccc2c(OCc2cn(CC[N+]34CCC(CC3)CC4)nn2)cc1=O
Show InChI InChI=1S/C22H28N5O2/c1-25-20-5-3-2-4-19(20)21(14-22(25)28)29-16-18-15-26(24-23-18)9-13-27-10-6-17(7-11-27)8-12-27/h2-5,14-15,17H,6-13,16H2,1H3/q+1
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n/an/an/an/a 1.80E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91601
PNG
(3' | alpha7 agonists 3')
Show SMILES O=c1cc(OCc2cnnn2CC[N+]23CCC(CC2)CC3)c2ccccc2[nH]1
Show InChI InChI=1S/C21H25N5O2/c27-21-13-20(18-3-1-2-4-19(18)23-21)28-15-17-14-22-24-25(17)8-12-26-9-5-16(6-10-26)7-11-26/h1-4,13-14,16H,5-12,15H2/p+1
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n/an/an/an/a 2.90E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91602
PNG
(alpha7 agonists 4)
Show SMILES Cn1c2ccccc2c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)cc1=O |TLB:13:16:20.19:23|
Show InChI InChI=1S/C22H28N5O2/c1-25-20-7-5-4-6-19(20)21(12-22(25)28)29-14-15-13-26(24-23-15)16-10-17-8-9-18(11-16)27(17,2)3/h4-7,12-13,16-18H,8-11,14H2,1-3H3/q+1/t16-,17-,18+
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n/an/an/an/a 300n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91603
PNG
(4' | alpha7 agonists 4')
Show SMILES CN1CC=C(OCc2cnnn2C2CC3CCC(C2)[N+]3(C)C)c2ccccc12 |t:3,TLB:11:12:19:15.16|
Show InChI InChI=1S/C22H30N5O/c1-25-11-10-22(20-6-4-5-7-21(20)25)28-15-17-14-23-24-26(17)16-12-18-8-9-19(13-16)27(18,2)3/h4-7,10,14,16,18-19H,8-9,11-13,15H2,1-3H3/q+1
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n/an/an/an/a 600n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91604
PNG
(alpha7 agonists 5)
Show SMILES Cn1c2ccccc2c(OCc2cn(CCC[N+]3(C)CCCC3)nn2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-4-3-8-18(19)20(14-21(24)27)28-16-17-15-25(23-22-17)10-7-13-26(2)11-5-6-12-26/h3-4,8-9,14-15H,5-7,10-13,16H2,1-2H3/q+1
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n/an/an/an/a 800n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91605
PNG
(5' | alpha7 agonists 5')
Show SMILES Cn1c2ccccc2c(OCc2cnnn2CCC[N+]2(C)CCCC2)cc1=O
Show InChI InChI=1S/C21H28N5O2/c1-24-19-9-4-3-8-18(19)20(14-21(24)27)28-16-17-15-22-23-25(17)10-7-13-26(2)11-5-6-12-26/h3-4,8-9,14-15H,5-7,10-13,16H2,1-2H3/q+1
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n/an/an/an/a 2.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91606
PNG
(alpha7 agonists 6)
Show SMILES C[N+](C)(C)CCn1cc(COc2cc([O])nc3ccccc23)nn1 |^1:14|
Show InChI InChI=1S/C17H21N5O2/c1-22(2,3)9-8-21-11-13(19-20-21)12-24-16-10-17(23)18-15-7-5-4-6-14(15)16/h4-7,10-11H,8-9,12H2,1-3H3/q+1
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n/an/an/an/a 1.70E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91607
PNG
(alpha7 agonists 7)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2cccc(c2)C#N)nn1 |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H24N5O/c1-24(2)17-6-7-18(24)10-16(9-17)23-12-15(21-22-23)13-25-19-5-3-4-14(8-19)11-20/h3-5,8,12,16-18H,6-7,9-10,13H2,1-2H3/q+1/t16-,17-,18+
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n/an/an/an/a 900n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91608
PNG
(alpha7 agonists 8)
Show SMILES COc1cc(C=O)ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:14:17:24:20.21|
Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)10-16(9-17)23-11-15(21-22-23)13-27-19-7-4-14(12-25)8-20(19)26-3/h4,7-8,11-12,16-18H,5-6,9-10,13H2,1-3H3/q+1/t16-,17-,18+
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n/an/an/an/a 1.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91609
PNG
(alpha7 agonists 9)
Show SMILES Cc1cc(ccc1OCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C)[N+]([O-])=O |TLB:11:14:21:17.18|
Show InChI InChI=1S/C19H26N5O3/c1-13-8-15(23(25)26)4-7-19(13)27-12-14-11-22(21-20-14)16-9-17-5-6-18(10-16)24(17,2)3/h4,7-8,11,16-18H,5-6,9-10,12H2,1-3H3/q+1/t16-,17-,18+
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n/an/an/an/a 1.90E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91610
PNG
(10q | alpha7 agonists 10q)
Show SMILES CC(=O)NCc1cn(nn1)[C@H]1C[C@@H]2CC[C@H](C1)[N+]2(C)C |TLB:7:10:13.14:17|
Show InChI InChI=1S/C14H23N5O/c1-10(20)15-8-11-9-18(17-16-11)12-6-13-4-5-14(7-12)19(13,2)3/h9,12-14H,4-8H2,1-3H3/p+1/t12-,13-,14+
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n/an/an/an/a 5.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91611
PNG
(11q | alpha7 agonists 11q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)C1(O)CCCCC1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H29N4O/c1-21(2)14-6-7-15(21)11-13(10-14)20-12-16(18-19-20)17(22)8-4-3-5-9-17/h12-15,22H,3-11H2,1-2H3/q+1/t13-,14-,15+
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n/an/an/an/a 9.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91612
PNG
(12q | alpha7 agonists 12q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNC(=O)c2ccco2)nn1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C17H23N5O2/c1-22(2)14-5-6-15(22)9-13(8-14)21-11-12(19-20-21)10-18-17(23)16-4-3-7-24-16/h3-4,7,11,13-15H,5-6,8-10H2,1-2H3/p+1/t13-,14-,15+
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n/an/an/an/a 3.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91613
PNG
(13q | alpha7 agonists 13q)
Show SMILES COc1ccc(C=O)c(OCc2cn(nn2)[C@H]2C[C@@H]3CC[C@H](C2)[N+]3(C)C)c1 |TLB:13:16:19.20:23|
Show InChI InChI=1S/C20H27N4O3/c1-24(2)17-5-6-18(24)9-16(8-17)23-11-15(21-22-23)13-27-20-10-19(26-3)7-4-14(20)12-25/h4,7,10-12,16-18H,5-6,8-9,13H2,1-3H3/q+1/t16-,17-,18+
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n/an/an/an/a 800n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91614
PNG
(14q | alpha7 agonists 14q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(COc2ccccc2-c2ccno2)nn1 |THB:10:8:1:5.4|
Show InChI InChI=1S/C21H26N5O2/c1-26(2)17-7-8-18(26)12-16(11-17)25-13-15(23-24-25)14-27-20-6-4-3-5-19(20)21-9-10-22-28-21/h3-6,9-10,13,16-18H,7-8,11-12,14H2,1-2H3/q+1/t16-,17-,18+
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n/an/an/an/a 2.00E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91615
PNG
(15q | alpha7 agonists 15q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CSc2nc3ccccc3s2)nn1 |THB:10:8:1:5.4|
Show InChI InChI=1S/C19H24N5S2/c1-24(2)15-7-8-16(24)10-14(9-15)23-11-13(21-22-23)12-25-19-20-17-5-3-4-6-18(17)26-19/h3-6,11,14-16H,7-10,12H2,1-2H3/q+1/t14-,15-,16+
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n/an/an/an/a 200n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91616
PNG
(16q | alpha7 agonists 16q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(CNS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)nn1 |THB:10:8:4.5:1|
Show InChI InChI=1S/C18H25N6O4S/c1-24(2)16-5-6-17(24)10-15(9-16)22-12-13(20-21-22)11-19-29(27,28)18-7-3-14(4-8-18)23(25)26/h3-4,7-8,12,15-17,19H,5-6,9-11H2,1-2H3/q+1/t15-,16-,17+
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n/an/an/an/a 1.80E+3n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7


(Homo sapiens (Human))		BDBM91617
PNG
(17q | alpha7 agonists 17q)
Show SMILES C[N+]1(C)[C@H]2CC[C@@H]1C[C@H](C2)n1cc(nn1)-c1cc(cc(c1)C(F)(F)F)C(F)(F)F |THB:10:8:1:4.5|
Show InChI InChI=1S/C19H21F6N4/c1-29(2)15-3-4-16(29)9-14(8-15)28-10-17(26-27-28)11-5-12(18(20,21)22)7-13(6-11)19(23,24)25/h5-7,10,14-16H,3-4,8-9H2,1-2H3/q+1/t14-,15-,16+
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Article
PubMed
n/an/an/an/a 900n/an/a7.437



University of California, San Diego



Assay Description
Assay Description 2 Assays used to generate Ki or EC50 values. 1) SPA Assay - Quick screen binding assays were performed using 100 ?l of 0.2 mg/ml an...

Taylor Research Group (2014)


Article DOI: 10.1124/mol.112.080291
BindingDB Entry DOI: 10.7270/Q2805163
More data for this
Ligand-Target Pair
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