Compile Data Set for Download or QSAR

Found 59 hits Enz. Inhib. hit(s) with all data for entry = 50044151   

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 (Homo sapiens (Human))	BDBM50364875 (CHEMBL1950156) Show SMILES CN1C[C@H]2CN(C[C@@H]12)c1ccc2-c3ccc(cc3C(=O)c2c1)N1C[C@@H]2CN(C)[C@@H]2C1 |r| Show InChI InChI=1S/C25H28N4O/c1-26-9-15-11-28(13-23(15)26)17-3-5-19-20-6-4-18(8-22(20)25(30)21(19)7-17)29-12-16-10-27(2)24(16)14-29/h3-8,15-16,23-24H,9-14H2,1-2H3/t15-,16-,23+,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0920	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006617 (CHEMBL3235490) Show SMILES [18F]c1ccccc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |TLB:13:12:18.19:22.21,THB:11:12:18.19:22.21,(37.37,-32.12,;38.71,-31.35,;40.04,-32.13,;41.39,-31.36,;41.38,-29.82,;40.06,-29.05,;38.72,-29.81,;37.39,-29.04,;37.4,-27.5,;36.07,-26.73,;34.72,-27.49,;33.25,-27.02,;32.35,-28.27,;33.26,-29.52,;34.73,-29.04,;36.06,-29.8,;32,-29.62,;30.55,-28.8,;29.11,-29.28,;29.55,-27.92,;30.96,-27.47,;31.07,-25.83,;30.5,-26.88,)| Show InChI InChI=1S/C19H19FN2O/c20-17-4-2-1-3-16(17)14-9-13-10-19(23-18(13)21-11-14)12-22-7-5-15(19)6-8-22/h1-4,9,11,15H,5-8,10,12H2/i20-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]MLA from rat alpha7 nAChR				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393251 (CHEMBL2151569) Show SMILES CN1CC2CN(CC2C1)c1ccc(nn1)-c1ccc2[nH]ccc2c1 Show InChI InChI=1S/C19H21N5/c1-23-9-15-11-24(12-16(15)10-23)19-5-4-18(21-22-19)13-2-3-17-14(8-13)6-7-20-17/h2-8,15-16,20H,9-12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006623 (CHEMBL3235501) Show SMILES [125I]c1occc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |THB:10:11:17.18:21.20,(24.42,-38.08,;25.07,-36.69,;26.58,-36.39,;26.77,-34.87,;25.38,-34.21,;24.33,-35.34,;22.79,-35.15,;22.19,-33.73,;20.67,-33.54,;19.75,-34.77,;18.21,-34.9,;17.87,-36.4,;19.18,-37.19,;20.34,-36.18,;21.87,-36.38,;17.52,-37.76,;16.05,-36.93,;14.61,-37.42,;15.04,-36.05,;16.46,-35.6,;16.58,-33.94,;16.01,-35,)| Show InChI InChI=1S/C17H17IN2O2/c18-15-14(3-6-21-15)12-7-11-8-17(22-16(11)19-9-12)10-20-4-1-13(17)2-5-20/h3,6-7,9,13H,1-2,4-5,8,10H2/i18-2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-BTX from rat alpha7-nAChR after 2 hrs by scintillation counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50364856 (CHEMBL1950167) Show SMILES O=S1(=O)c2ccccc2-c2ccc(cc12)N1CCN2CCC1CC2 |(9.73,-11.78,;8.95,-13.11,;8.19,-11.77,;7.7,-14.01,;6.2,-13.68,;5.16,-14.83,;5.64,-16.29,;7.13,-16.62,;8.17,-15.48,;9.71,-15.48,;10.72,-16.64,;12.24,-16.34,;12.73,-14.89,;11.72,-13.72,;10.21,-14.03,;14.25,-14.59,;15.21,-15.86,;16.72,-15.87,;17.72,-14.73,;17.48,-13.28,;16.07,-12.5,;14.65,-13.09,;15.41,-14.42,;16.75,-13.64,)| Show InChI InChI=1S/C19H20N2O2S/c22-24(23)18-4-2-1-3-16(18)17-6-5-15(13-19(17)24)21-12-11-20-9-7-14(21)8-10-20/h1-6,13-14H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006619 (CHEMBL3235485) Show SMILES [O-][N+](=O)c1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(.96,-17,;.33,-18.41,;-1.2,-18.56,;1.24,-19.66,;.6,-21.08,;1.51,-22.31,;3.04,-22.15,;3.67,-20.74,;5.13,-20.26,;6.47,-21.04,;7.8,-20.27,;7.81,-18.72,;6.47,-17.95,;5.14,-18.72,;3.67,-18.25,;3.99,-16.74,;2.53,-17.22,;2.77,-19.5,;9.14,-17.95,;10.34,-18.91,;11.84,-18.57,;12.51,-17.19,;11.84,-15.79,;10.35,-15.45,;9.15,-16.4,;10.43,-16.43,;11.07,-18,)| Show InChI InChI=1S/C19H19N3O4S/c23-22(24)17-3-1-2-16-15-5-4-14(12-18(15)27(25,26)19(16)17)21-11-10-20-8-6-13(21)7-9-20/h1-5,12-13H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006621 (CHEMBL3235487) Show SMILES Ic1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(29.41,-16.94,;30.31,-18.18,;29.68,-19.6,;30.58,-20.84,;32.11,-20.67,;32.75,-19.26,;34.21,-18.78,;35.54,-19.56,;36.88,-18.79,;36.88,-17.24,;35.54,-16.47,;34.21,-17.24,;32.75,-16.77,;33.07,-15.26,;31.6,-15.74,;31.84,-18.02,;38.22,-16.47,;39.42,-17.43,;40.92,-17.09,;41.58,-15.71,;40.92,-14.31,;39.42,-13.97,;38.22,-14.92,;39.51,-14.95,;40.15,-16.52,)| Show InChI InChI=1S/C19H19IN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.930	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006618 (CHEMBL3235481) Show SMILES Fc1ccc2-c3ccc(cc3S(=O)(=O)c2c1)N1CCN2CCC1CC2 |(13.82,-9.04,;15.35,-8.88,;16.26,-10.11,;17.79,-9.95,;18.42,-8.54,;19.88,-8.06,;21.21,-8.84,;22.55,-8.07,;22.56,-6.52,;21.21,-5.75,;19.89,-6.52,;18.42,-6.05,;18.74,-4.54,;17.27,-5.02,;17.52,-7.3,;15.98,-7.46,;23.89,-5.75,;25.09,-6.71,;26.59,-6.36,;27.26,-4.99,;26.59,-3.59,;25.09,-3.25,;23.89,-4.2,;25.18,-4.23,;25.82,-5.8,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-3-16-17-4-2-15(12-19(17)25(23,24)18(16)11-13)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006622 (CHEMBL3235489) Show SMILES [11CH3]n1cccc1-c1nnc(o1)N1CCN2CCC1CC2 |(3.24,-32.62,;2.93,-31.12,;1.52,-30.49,;1.68,-28.96,;3.19,-28.64,;3.97,-29.97,;5.5,-30.13,;6.27,-31.47,;7.78,-31.15,;7.94,-29.61,;6.53,-28.99,;9.27,-28.84,;10.47,-29.8,;11.97,-29.46,;12.63,-28.08,;11.97,-26.68,;10.47,-26.34,;9.28,-27.29,;10.56,-27.32,;11.2,-28.89,)| Show InChI InChI=1S/C14H19N5O/c1-17-6-2-3-12(17)13-15-16-14(20-13)19-10-9-18-7-4-11(19)5-8-18/h2-3,6,11H,4-5,7-10H2,1H3/i1-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-BTX from rat alpha7-nAChR after 2 hrs by scintillation counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50366779 (METHYLLYCACONITINE) Show SMILES CCN1C[C@]2(COC(=O)c3ccccc3-n3c(O)cc(C)c3O)CC[C@H](OC)[C@@]34[C@@H]5C[C@H]6[C@H](OC)[C@@H]5[C@](O)(C[C@@H]6OC)[C@](O)([C@@H](OC)[C@H]23)[C@H]14 |r,wU:4.4,48.54,44.48,42.46,36.39,39.43,wD:28.52,35.36,31.32,29.31,47.50,25.27,32.34,TLB:23:4:28:44.42,4:47:36.29.35:48,1:2:28:44.42,45:44:36.29.35:48,44:47:24.23.25:3.48.2,42:36:32:29.30,THB:37:36:32:29.30,40:39:32:29.30,5:4:28:44.42,(5.29,-1.99,;6.48,-1.02,;7.91,-1.57,;7.91,-4.71,;8.6,-3.19,;9.67,-4.27,;9.27,-5.75,;10.35,-6.84,;11.83,-6.45,;9.94,-8.32,;8.46,-8.7,;8.06,-10.18,;9.14,-11.27,;10.63,-10.87,;11.02,-9.39,;12.51,-8.99,;13.7,-9.95,;13.62,-11.48,;14.98,-9.12,;14.58,-7.64,;15.55,-6.45,;13.05,-7.56,;11.52,-7.55,;7.27,-2.43,;7.27,-.88,;8.6,-.11,;8.59,1.42,;7.27,2.19,;9.93,-.88,;11.13,.09,;10.97,1.62,;12.38,2.24,;13.41,1.1,;17.14,1.1,;17.91,-.25,;12.64,-.24,;13.31,-1.62,;14.39,-2.7,;15.18,-1.64,;15.11,2.18,;16.19,3.26,;15.8,4.74,;12.66,-3.02,;13.74,-4.1,;11.15,-3.38,;10.82,-4.87,;12.29,-5.26,;9.94,-2.42,;9.88,1.15,)| Show InChI InChI=1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,14,21-22,24-25,27-30,33,40-41,43-44H,7,12-13,15-18H2,1-6H3/t21-,22-,24+,25+,27-,28+,29-,30+,33-,34+,35-,36+,37+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006617 (CHEMBL3235490) Show SMILES [18F]c1ccccc1-c1cnc2OC3(Cc2c1)CN1CCC3CC1 |TLB:13:12:18.19:22.21,THB:11:12:18.19:22.21,(37.37,-32.12,;38.71,-31.35,;40.04,-32.13,;41.39,-31.36,;41.38,-29.82,;40.06,-29.05,;38.72,-29.81,;37.39,-29.04,;37.4,-27.5,;36.07,-26.73,;34.72,-27.49,;33.25,-27.02,;32.35,-28.27,;33.26,-29.52,;34.73,-29.04,;36.06,-29.8,;32,-29.62,;30.55,-28.8,;29.11,-29.28,;29.55,-27.92,;30.96,-27.47,;31.07,-25.83,;30.5,-26.88,)| Show InChI InChI=1S/C19H19FN2O/c20-17-4-2-1-3-16(17)14-9-13-10-19(23-18(13)21-11-14)12-22-7-5-15(19)6-8-22/h1-4,9,11,15H,5-8,10,12H2/i20-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006620 (CHEMBL3235486) Show SMILES [O-][N+](=O)c1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(14.59,-21.21,;14.42,-19.68,;13.01,-19.06,;15.66,-18.77,;15.5,-17.25,;16.75,-16.34,;18.16,-16.97,;18.33,-18.49,;17.07,-19.39,;19.83,-18.8,;20.6,-20.15,;22.14,-20.14,;22.92,-18.81,;22.14,-17.47,;20.6,-17.47,;19.57,-16.33,;20.6,-15.19,;19.09,-14.87,;24.46,-18.81,;25.02,-20.24,;26.49,-20.69,;27.75,-19.83,;27.88,-18.29,;26.75,-17.24,;25.24,-17.47,;26.34,-18.14,;26.1,-19.82,)| Show InChI InChI=1S/C19H19N3O4S/c23-22(24)15-2-4-18-17(11-15)16-3-1-14(12-19(16)27(18,25)26)21-10-9-20-7-5-13(21)6-8-20/h1-4,11-13H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006612 (CHEMBL3235488) Show SMILES Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)| Show InChI InChI=1S/C19H19IN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006624 (CHEMBL3235493) Show SMILES [11CH3]N1CC2CN(CC2C1)c1ccc(nn1)-c1ccccc1 Show InChI InChI=1S/C17H20N4/c1-20-9-14-11-21(12-15(14)10-20)17-8-7-16(18-19-17)13-5-3-2-4-6-13/h2-8,14-15H,9-12H2,1H3/i1-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to rat brain alpha7 nAChR				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50364857 (CHEMBL1950171) Show SMILES CN1CC2CN(CC2C1)c1ccc2oc3ccccc3c(=O)c2c1 Show InChI InChI=1S/C20H20N2O2/c1-21-9-13-11-22(12-14(13)10-21)15-6-7-19-17(8-15)20(23)16-4-2-3-5-18(16)24-19/h2-8,13-14H,9-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]MLA from rat alpha7 nAChR				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50433471 (CHEMBL2380802) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)| Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to alpha7 nAChR (unknown origin)				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006616 (CHEMBL3235484) Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)| Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006622 (CHEMBL3235489) Show SMILES [11CH3]n1cccc1-c1nnc(o1)N1CCN2CCC1CC2 |(3.24,-32.62,;2.93,-31.12,;1.52,-30.49,;1.68,-28.96,;3.19,-28.64,;3.97,-29.97,;5.5,-30.13,;6.27,-31.47,;7.78,-31.15,;7.94,-29.61,;6.53,-28.99,;9.27,-28.84,;10.47,-29.8,;11.97,-29.46,;12.63,-28.08,;11.97,-26.68,;10.47,-26.34,;9.28,-27.29,;10.56,-27.32,;11.2,-28.89,)| Show InChI InChI=1S/C14H19N5O/c1-17-6-2-3-12(17)13-15-16-14(20-13)19-10-9-18-7-4-11(19)5-8-18/h2-3,6,11H,4-5,7-10H2,1H3/i1-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]-alpha-BTX from rat alpha7 nAChR incubated for 30 mins				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50296742 (1,4-diazabicyclo[3.2.2]nonane-(4-bromo)-phenyl car...) Show SMILES Brc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(1.51,4.96,;.33,3.96,;.6,2.44,;-.59,1.45,;-2.03,1.98,;-3.21,.98,;-4.67,1.51,;-4.94,3.03,;-5.85,.51,;-5.48,-.96,;-6.49,-.24,;-7.87,-.31,;-7.95,1.4,;-7.33,2.56,;-7.26,1.14,;-8.56,.43,;-8.86,-1.01,;-2.31,3.49,;-1.14,4.49,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-13(4-2-11)19-14(18)17-10-9-16-7-5-12(17)6-8-16/h1-4,12H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from Sprague-Dawley rat brain alpha7-nAChR after 3 hrs				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50433471 (CHEMBL2380802) Show SMILES Fc1ccc(cc1)-c1nnc(o1)N1CCN2CCC1CC2 |(37.92,-5.9,;36.59,-6.67,;35.24,-5.9,;33.91,-6.67,;33.92,-8.2,;35.25,-8.98,;36.58,-8.22,;32.58,-8.97,;32.1,-10.44,;30.56,-10.44,;30.07,-8.97,;31.33,-8.06,;28.61,-8.49,;28.4,-6.96,;27.07,-6.17,;25.63,-6.72,;25.15,-8.19,;26.01,-9.47,;27.55,-9.6,;26.54,-8.59,;27.07,-7.59,)| Show InChI InChI=1S/C15H17FN4O/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19/h1-4,13H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from rat cortical membrane alpha7-nAChR after 150 mins by gamma-counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50006625 (CHEMBL3235497) Show SMILES [11CH3]Nc1cccc(c1)C(=O)O[C@H]1CN2CCC1CC2 |r,wU:11.11,THB:10:11:14.15:18.17,(30.79,-41.28,;32.13,-42.04,;32.14,-43.58,;33.48,-44.35,;33.49,-45.89,;32.16,-46.66,;30.83,-45.89,;30.81,-44.36,;29.5,-46.67,;29.5,-48.21,;28.16,-45.9,;26.74,-46.5,;26.39,-47.85,;24.94,-47.03,;23.5,-47.51,;23.93,-46.15,;25.35,-45.7,;25.46,-44.06,;24.89,-45.11,)| Show InChI InChI=1S/C15H20N2O2/c1-16-13-4-2-3-12(9-13)15(18)19-14-10-17-7-5-11(14)6-8-17/h2-4,9,11,14,16H,5-8,10H2,1H3/t14-/m0/s1/i1-1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Binding affinity to rat brain alpha7 nAChR				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM50296722 (CHEMBL554169 | p-tolyl 1,4-diazabicyclo[3.2.2]nona...) Show SMILES Cc1ccc(OC(=O)N2CCN3CCC2CC3)cc1 |TLB:6:8:13.12:15.16,(11.85,5.86,;10.66,4.86,;10.94,3.34,;9.75,2.35,;8.3,2.88,;7.12,1.88,;5.67,2.41,;5.4,3.93,;4.48,1.41,;4.85,-.06,;3.85,.66,;2.47,.59,;2.39,2.31,;3,3.45,;3.07,2.03,;1.77,1.33,;1.47,-.12,;8.03,4.39,;9.2,5.39,)| Show InChI InChI=1S/C15H20N2O2/c1-12-2-4-14(5-3-12)19-15(18)17-11-10-16-8-6-13(17)7-9-16/h2-5,13H,6-11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]alpha-bungarotoxin from Sprague-Dawley rat brain alpha7-nAChR after 3 hrs				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	141	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK293 cells				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50006616 (CHEMBL3235484) Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)| Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50006616 (CHEMBL3235484) Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)| Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	261	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	292	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50006612 (CHEMBL3235488) Show SMILES Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)| Show InChI InChI=1S/C19H19IN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	477	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 3A (Homo sapiens (Human))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	505	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]GR65630 from human 5-HT3 receptor expressed in HEK293 cells				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4 (Homo sapiens (Human))	BDBM50006616 (CHEMBL3235484) Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)| Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Rattus norvegicus (Rat))	BDBM82070 (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	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	610	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [125I]-alpha-BTX from rat alpha7 nAChR after 4 hrs by liquid scintillation counting analysis				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	678	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	709	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2 (Homo sapiens (Human))	BDBM50006612 (CHEMBL3235488) Show SMILES Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)| Show InChI InChI=1S/C19H19IN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	784	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	838	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	885	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Acetylcholine receptor subunit alpha/Neuronal acetylcholine receptor subunit beta-2 (Homo sapiens (Human))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha2beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006612 (CHEMBL3235488) Show SMILES Ic1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(44.32,-23.01,;44.94,-21.6,;44.03,-20.36,;44.67,-18.95,;46.2,-18.79,;47.11,-20.02,;46.47,-21.43,;48.56,-19.55,;49.9,-20.32,;51.24,-19.55,;51.24,-18.01,;49.9,-17.23,;48.57,-18.01,;47.11,-17.53,;47.42,-16.02,;45.96,-16.51,;52.58,-17.23,;53.78,-18.19,;55.28,-17.85,;55.94,-16.47,;55.28,-15.07,;53.78,-14.73,;52.58,-15.68,;53.87,-15.71,;54.51,-17.29,)| Show InChI InChI=1S/C19H19IN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006613 (CHEMBL3235480) Show SMILES Fc1cccc2-c3ccc(cc3S(=O)(=O)c12)N1CCN2CCC1CC2 |(1.16,-6.38,;2.07,-7.63,;1.43,-9.05,;2.34,-10.28,;3.87,-10.12,;4.51,-8.71,;5.96,-8.23,;7.3,-9.01,;8.63,-8.24,;8.64,-6.69,;7.3,-5.92,;5.97,-6.69,;4.51,-6.22,;4.82,-4.71,;3.36,-5.19,;3.6,-7.47,;9.98,-5.92,;11.17,-6.88,;12.67,-6.54,;13.34,-5.16,;12.67,-3.76,;11.18,-3.42,;9.98,-4.37,;11.27,-4.4,;11.9,-5.97,)| Show InChI InChI=1S/C19H19FN2O2S/c20-17-3-1-2-16-15-5-4-14(12-18(15)25(23,24)19(16)17)22-11-10-21-8-6-13(22)7-9-21/h1-5,12-13H,6-11H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-2 (Homo sapiens (Human))	BDBM50006616 (CHEMBL3235484) Show SMILES Fc1ccc(N2CCN3CCC2CC3)c2-c3ccccc3S(=O)(=O)c12 |(8.37,-3.33,;8.37,-4.88,;9.72,-5.65,;9.71,-7.19,;8.37,-7.96,;8.37,-9.51,;7.02,-10.23,;6.74,-11.75,;7.75,-12.9,;9.3,-12.84,;10.2,-11.6,;9.8,-10.12,;9.26,-11.29,;7.57,-11.26,;7.04,-7.19,;5.58,-7.67,;4.95,-9.07,;3.42,-9.24,;2.51,-8,;3.14,-6.59,;4.68,-6.43,;5.58,-5.18,;5.9,-3.67,;4.43,-4.15,;7.05,-5.65,)| Show InChI InChI=1S/C19H19FN2O2S/c20-15-5-6-16(22-12-11-21-9-7-13(22)8-10-21)18-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta2-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-4 (Homo sapiens (Human))	BDBM50006614 (CHEMBL3235482) Show SMILES Fc1ccc2c(c1)-c1ccc(cc1S2(=O)=O)N1CCN2CCC1CC2 |(29.18,-11.93,;29.8,-10.52,;28.89,-9.28,;29.53,-7.87,;31.06,-7.71,;31.96,-8.94,;31.33,-10.35,;33.42,-8.47,;34.76,-9.24,;36.09,-8.47,;36.1,-6.93,;34.75,-6.15,;33.43,-6.93,;31.96,-6.45,;32.28,-4.94,;30.81,-5.42,;37.43,-6.15,;38.63,-7.11,;40.13,-6.77,;40.8,-5.39,;40.13,-3.99,;38.63,-3.65,;37.43,-4.6,;38.72,-4.63,;39.36,-6.21,)| Show InChI InChI=1S/C19H19FN2O2S/c20-13-1-4-18-17(11-13)16-3-2-15(12-19(16)25(18,23)24)22-10-9-21-7-5-14(22)6-8-21/h1-4,11-12,14H,5-10H2	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha4beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-3/beta-4 (Homo sapiens (Human))	BDBM50006615 (CHEMBL3235483) Show SMILES Fc1c2c(ccc1N1CCN3CCC1CC3)-c1ccccc1S2(=O)=O |(48.93,-4.76,;48.93,-6.3,;47.61,-7.07,;47.6,-8.61,;48.93,-9.39,;50.27,-8.62,;50.28,-7.07,;51.61,-6.3,;52.81,-7.26,;54.31,-6.92,;54.98,-5.54,;54.31,-4.14,;52.81,-3.8,;51.61,-4.75,;52.9,-4.78,;53.54,-6.35,;46.14,-9.09,;45.51,-10.5,;43.98,-10.67,;43.07,-9.43,;43.7,-8.02,;45.24,-7.85,;46.14,-6.6,;46.46,-5.09,;44.99,-5.57,)| Show InChI InChI=1S/C19H19FN2O2S/c20-18-16(22-12-11-21-9-7-13(22)8-10-21)6-5-15-14-3-1-2-4-17(14)25(23,24)19(15)18/h1-6,13H,7-12H2	PDB KEGG UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Johns Hopkins University School of Medicine Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from alpha3beta4-nAChR (unknown origin) expressed in HEK293 cells after 2 hrs by liquid scintillation counting analys...				J Med Chem 56: 7574-89 (2013) Article DOI: 10.1021/jm401184f BindingDB Entry DOI: 10.7270/Q2Z3215R
					More data for this Ligand-Target Pair

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