Compile Data Set for Download or QSAR

Found 31 hits with Last Name = 'methfessel' and Initial = 'c'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM119803 (US8691840, 5) Show SMILES O=C(Nc1ccc(cc1)-c1ccc(NS(=O)(=O)c2ccccc2)cc1)[C@H]1CN2CCC1CC2 |r,wU:25.27,(-6,.77,;-6,-.77,;-4.67,-1.54,;-3.33,-.77,;-2,-1.54,;-.67,-.77,;-.67,.77,;-2,1.54,;-3.33,.77,;.67,1.54,;2,.77,;3.33,1.54,;3.33,3.08,;4.67,3.85,;6,3.08,;7.34,3.85,;6,1.54,;7.34,2.31,;7.34,.77,;8.67,,;10,.77,;10,2.31,;8.67,3.08,;2,3.85,;.67,3.08,;-7.34,-1.54,;-7.34,-3.08,;-8.67,-3.85,;-10,-3.08,;-10,-1.54,;-8.67,-.77,;-7.9,-2.1,;-9.39,-2.5,)| Show InChI InChI=1S/C26H27N3O3S/c30-26(25-18-29-16-14-21(25)15-17-29)27-22-10-6-19(7-11-22)20-8-12-23(13-9-20)28-33(31,32)24-4-2-1-3-5-24/h1-13,21,25,28H,14-18H2,(H,27,30)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	<1	<-47.1	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM119804 (US8691840, 7) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:17.17,(8,3.85,;6.67,3.08,;8,2.31,;6.67,4.62,;5.33,2.31,;5.33,.77,;4,,;2.67,.77,;2.67,2.31,;4,3.08,;1.33,,;1.33,-1.54,;,-2.31,;-1.33,-1.54,;-2.67,-2.31,;-4,-1.54,;-4,,;-5.33,-2.31,;-5.33,-3.85,;-6.67,-4.62,;-8,-3.85,;-8,-2.31,;-6.67,-1.54,;-5.9,-2.87,;-7.39,-3.27,;-1.33,,;,.77,)| Show InChI InChI=1S/C20H23N3O3S/c21-27(25,26)18-7-3-15(4-8-18)14-1-5-17(6-2-14)22-20(24)19-13-23-11-9-16(19)10-12-23/h1-8,16,19H,9-13H2,(H,22,24)(H2,21,25,26)/t19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<1	<-47.1	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM139032 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-46.2	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (Rattus norvegicus (Rat))	BDBM119802 (US8691840, 2) Show SMILES CS(=O)(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:18.18,(8.67,2.31,;7.34,3.08,;8.67,3.85,;7.34,1.54,;6,3.85,;4.67,3.08,;4.67,1.54,;3.33,.77,;2,1.54,;2,3.08,;3.33,3.85,;.67,.77,;.67,-.77,;-.67,-1.54,;-2,-.77,;-3.33,-1.54,;-4.67,-.77,;-4.67,.77,;-6,-1.54,;-6,-3.08,;-7.34,-3.85,;-8.67,-3.08,;-8.67,-1.54,;-7.34,-.77,;-6.57,-2.1,;-8.05,-2.5,;-2,.77,;-.67,1.54,)| Show InChI InChI=1S/C21H25N3O3S/c1-28(26,27)23-19-8-4-16(5-9-19)15-2-6-18(7-3-15)22-21(25)20-14-24-12-10-17(20)11-13-24/h2-9,17,20,23H,10-14H2,1H3,(H,22,25)/t20-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2	-45.5	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM139033 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.80	-45.4	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.10	-45.1	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.70	-44.7	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.90	-44.6	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6.70	-43.4	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (Rattus norvegicus (Rat))	BDBM119805 (US8691840, 11) Show SMILES O=C(NC1CCCC1)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:22.23,(5.48,1.54,;5.48,3.08,;6.82,3.85,;8.15,3.08,;8.15,1.54,;9.62,1.06,;10.52,2.31,;9.62,3.56,;4.15,3.85,;2.82,3.08,;2.82,1.54,;1.48,.77,;.15,1.54,;.15,3.08,;1.48,3.85,;-1.18,.77,;-1.18,-.77,;-2.52,-1.54,;-3.85,-.77,;-5.19,-1.54,;-6.52,-.77,;-6.52,.77,;-7.85,-1.54,;-7.85,-3.08,;-9.19,-3.85,;-10.52,-3.08,;-10.52,-1.54,;-9.19,-.77,;-8.42,-2.1,;-9.9,-2.5,;-3.85,.77,;-2.52,1.54,)| Show InChI InChI=1S/C26H32N4O2/c31-25(24-17-30-15-13-20(24)14-16-30)27-22-9-5-18(6-10-22)19-7-11-23(12-8-19)29-26(32)28-21-3-1-2-4-21/h5-12,20-21,24H,1-4,13-17H2,(H,27,31)(H2,28,29,32)/t24-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	16	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM139036 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	20	-40.8	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	22	-40.6	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (Rattus norvegicus (Rat))	BDBM119806 (US8691840, 15) Show SMILES Fc1cccc(c1)C(=O)Nc1ccc(cc1)-c1ccc(NC(=O)[C@H]2CN3CCC2CC3)cc1 |r,wU:23.24,(10.67,1.93,;9.34,2.7,;9.34,4.24,;8,5.01,;6.67,4.24,;6.67,2.7,;8,1.93,;5.33,1.93,;5.33,.39,;4,2.7,;2.67,1.93,;2.67,.39,;1.33,-.39,;,.39,;,1.93,;1.33,2.7,;-1.33,-.39,;-1.33,-1.93,;-2.67,-2.7,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-8,-2.7,;-8,-4.24,;-9.34,-5.01,;-10.67,-4.24,;-10.67,-2.7,;-9.34,-1.93,;-8.57,-3.26,;-10.05,-3.66,;-4,-.39,;-2.67,.39,)| Show InChI InChI=1S/C27H26FN3O2/c28-22-3-1-2-21(16-22)26(32)29-23-8-4-18(5-9-23)19-6-10-24(11-7-19)30-27(33)25-17-31-14-12-20(25)13-15-31/h1-11,16,20,25H,12-15,17H2,(H,29,32)(H,30,33)/t25-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	27	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	0
Bayer Intellectual Property GmbH US Patent					Assay Description The [3H]-methyllycaconitine binding assay is a modification of the method described by Davies et al. (Neuropharmacol. 1999, 38, 679-690). The P2 pell...				US Patent US8691840 (2014) BindingDB Entry DOI: 10.7270/Q2M32TFR
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM139039 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	28	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31	-39.8	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	37	-39.4	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	42	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (Rattus norvegicus (Rat))	BDBM153682 (US9000008, 4) Show SMILES O=C(CC1CN2CCC1CC2)Nc1ccc2ccccc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)| Show InChI InChI=1S/C19H22N2O/c22-19(12-17-13-21-9-7-15(17)8-10-21)20-18-6-5-14-3-1-2-4-16(14)11-18/h1-6,11,15,17H,7-10,12-13H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	42	-39.1	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...				US Patent US9000008 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PZX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM139029 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	50	-38.7	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	55	-38.5	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	58	-38.4	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	63	-38.2	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	75	-37.8	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	80	-37.7	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	80	-37.7	n/a	n/a	n/a	n/a	n/a	7.4	4
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 (Rattus norvegicus (Rat))	BDBM153679 (US9000008, 1) Show SMILES Brc1cccc2cc(NC(=O)CC3CN4CCC3CC4)sc12 |(3.29,-3.41,;4.06,-2.08,;5.6,-2.08,;6.37,-.75,;5.6,.59,;4.06,.59,;3.03,1.73,;1.63,1.1,;.29,1.87,;-1.04,1.1,;-1.04,-.44,;-2.37,1.87,;-3.71,1.1,;-3.71,-.44,;-5.04,-1.21,;-6.37,-.44,;-6.37,1.1,;-5.04,1.87,;-4.27,.54,;-5.81,.13,;1.79,-.43,;3.29,-.75,)| Show InChI InChI=1S/C17H19BrN2OS/c18-14-3-1-2-12-9-16(22-17(12)14)19-15(21)8-13-10-20-6-4-11(13)5-7-20/h1-3,9,11,13H,4-8,10H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	120	-36.7	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...				US Patent US9000008 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PZX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM153683 (US9000008, 5) Show SMILES [O-][N+](=O)c1cccc2ccc(NC(=O)CC3CN4CCC3CC4)cc12 |(6.67,2.69,;5.33,1.92,;4,2.69,;5.33,.38,;6.67,-.39,;6.67,-1.93,;5.33,-2.7,;4,-1.93,;2.67,-2.7,;1.33,-1.93,;1.33,-.39,;,.38,;-1.33,-.39,;-1.33,-1.93,;-2.67,.38,;-4,-.39,;-4,-1.93,;-5.33,-2.7,;-6.67,-1.93,;-6.67,-.39,;-5.33,.38,;-6.1,-.95,;-4.56,-1.36,;2.67,.39,;4,-.39,)| Show InChI InChI=1S/C19H21N3O3/c23-19(10-15-12-21-8-6-13(15)7-9-21)20-16-5-4-14-2-1-3-18(22(24)25)17(14)11-16/h1-5,11,13,15H,6-10,12H2,(H,20,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	170	-35.9	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...				US Patent US9000008 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PZX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM153680 (US9000008, 2) Show SMILES Brc1ccc2cc(NC(=O)CC3CN4CCC3CC4)sc2c1 |(6.37,-2.64,;5.6,-1.31,;6.37,.02,;5.6,1.36,;4.06,1.36,;3.03,2.5,;1.63,1.87,;.29,2.64,;-1.04,1.87,;-1.04,.33,;-2.37,2.64,;-3.71,1.87,;-3.71,.33,;-5.04,-.44,;-6.37,.33,;-6.37,1.87,;-5.04,2.64,;-5.88,1.38,;-4.36,.57,;1.79,.34,;3.29,.02,;4.06,-1.31,)| Show InChI InChI=1S/C17H19BrN2OS/c18-14-2-1-12-8-17(22-15(12)9-14)19-16(21)7-13-10-20-5-3-11(13)4-6-20/h1-2,8-9,11,13H,3-7,10H2,(H,19,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	200	-35.5	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...				US Patent US9000008 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PZX
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM153681 (US9000008, 3) Show SMILES O=C(CC1CN2CCC1CC2)Nc1ccc2cccnc2c1 |(-1.33,-.77,;-1.33,.77,;-2.67,1.54,;-4,.77,;-4,-.77,;-5.33,-1.54,;-6.67,-.77,;-6.67,.77,;-5.33,1.54,;-6.1,.21,;-4.56,-.21,;,1.54,;1.33,.77,;1.33,-.77,;2.67,-1.54,;4,-.77,;5.33,-1.54,;6.67,-.77,;6.67,.77,;5.33,1.54,;4,.77,;2.67,1.54,)| Show InChI InChI=1S/C18H21N3O/c22-18(10-15-12-21-8-5-13(15)6-9-21)20-16-4-3-14-2-1-7-19-17(14)11-16/h1-4,7,11,13,15H,5-6,8-10,12H2,(H,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	280	-34.8	n/a	n/a	n/a	n/a	n/a	7.4	4
Bayer Intellectual Property GmbH US Patent					Assay Description Rat brain tissue (hippocampus or whole brain) is homogenized in homogenization buffer (10% w/v). [0.32 M sucrose, 1 mM EDTA; 0.1 mM phenylmethylsulfo...				US Patent US9000008 (2015) BindingDB Entry DOI: 10.7270/Q2DF6PZX
					More data for this Ligand-Target Pair