Compile Data Set for Download or QSAR

Found 66 hits Enz. Inhib. hit(s) with all data for entry = 50041859   

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))	BDBM50417105 (CHEMBL1258240) Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)| Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.69	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393247 (CHEMBL1258006) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	2.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50393248 (CHEMBL1258005) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)| Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50393247 (CHEMBL1258006) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	14.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417105 (CHEMBL1258240) Show SMILES Brc1ccc(NC(=O)O[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(27.75,3.41,;26.42,4.2,;25.08,3.44,;23.76,4.23,;23.78,5.77,;22.46,6.56,;21.11,5.81,;21.09,4.27,;19.79,6.6,;18.44,5.84,;16.97,6.48,;15.62,5.88,;15.35,4.48,;16.71,5.11,;16.46,7.02,;16.9,8.14,;18.25,4.46,;19.01,3.12,;18.23,1.79,;16.69,1.81,;15.91,.49,;16.66,-.85,;18.21,-.86,;18.99,.46,;25.12,6.53,;26.44,5.74,)| Show InChI InChI=1S/C20H22BrN3O2/c21-16-3-5-17(6-4-16)23-20(25)26-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417090 (CHEMBL1258126) Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)| Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50161764 ((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	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	24.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417092 (CHEMBL1258241) Show SMILES Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)| Show InChI InChI=1S/C20H23BrN4O/c21-16-3-5-17(6-4-16)23-20(26)24-19-15-7-10-25(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H2,23,24,26)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	25.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417091 (CHEMBL1258127) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)| Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	28.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417093 (CHEMBL1258358) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(9.02,-7.03,;9.04,-5.49,;7.71,-4.7,;6.37,-5.45,;4.9,-4.81,;3.55,-5.42,;3.27,-6.81,;4.64,-6.18,;4.38,-4.27,;4.83,-3.16,;6.17,-6.83,;6.93,-8.17,;6.15,-9.5,;4.61,-9.48,;3.83,-10.81,;4.59,-12.15,;6.14,-12.16,;6.91,-10.83,;10.38,-4.73,;11.71,-5.52,;11.68,-7.06,;13,-7.85,;14.35,-7.1,;14.37,-5.55,;13.04,-4.77,)| Show InChI InChI=1S/C20H23N3O2/c24-20(25-17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	37.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	38.9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417096 (CHEMBL1256000) Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)| Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417100 (CHEMBL1258125) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)| Show InChI InChI=1S/C18H21N3OS/c22-18(16-4-2-10-23-16)20-17-14-5-8-21(9-6-14)15(17)11-13-3-1-7-19-12-13/h1-4,7,10,12,14-15,17H,5-6,8-9,11H2,(H,20,22)/t15-,17+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50399818 (CHEMBL1257896) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(23.13,-6.85,;23.15,-5.31,;21.83,-4.52,;20.48,-5.27,;19.01,-4.63,;17.66,-5.24,;17.38,-6.63,;18.75,-6,;18.5,-4.09,;18.94,-2.99,;20.29,-6.65,;21.05,-7.99,;20.26,-9.32,;18.72,-9.3,;17.94,-10.63,;18.7,-11.97,;20.25,-11.98,;21.03,-10.65,;24.49,-4.55,;25.81,-5.34,;27.16,-4.59,;27.18,-3.05,;25.84,-2.26,;24.51,-3.02,)| Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417090 (CHEMBL1258126) Show SMILES O=C(Nc1ccccc1)O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-6.3,4.21,;-6.28,5.75,;-4.93,6.5,;-3.61,5.71,;-3.63,4.18,;-2.31,3.39,;-.97,4.14,;-.95,5.69,;-2.27,6.47,;-7.6,6.54,;-8.95,5.79,;-10.41,6.43,;-11.77,5.82,;-12.06,4.43,;-10.67,5.06,;-10.93,6.96,;-10.48,8.08,;-9.14,4.41,;-8.38,3.07,;-9.16,1.74,;-10.7,1.76,;-11.5,.43,;-10.72,-.91,;-9.17,-.92,;-8.4,.41,)| Show InChI InChI=1S/C20H23N3O2/c24-20(22-17-6-2-1-3-7-17)25-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	61.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50393248 (CHEMBL1258005) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)| Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	89.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417095 (CHEMBL1255909) Show SMILES O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)| Show InChI InChI=1S/C14H19N3O/c18-14(15-12-4-2-1-3-5-12)16-13-10-17-8-6-11(13)7-9-17/h1-5,11,13H,6-10H2,(H2,15,16,18)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417100 (CHEMBL1258125) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)| Show InChI InChI=1S/C18H21N3OS/c22-18(16-4-2-10-23-16)20-17-14-5-8-21(9-6-14)15(17)11-13-3-1-7-19-12-13/h1-4,7,10,12,14-15,17H,5-6,8-9,11H2,(H,20,22)/t15-,17+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50399818 (CHEMBL1257896) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(23.13,-6.85,;23.15,-5.31,;21.83,-4.52,;20.48,-5.27,;19.01,-4.63,;17.66,-5.24,;17.38,-6.63,;18.75,-6,;18.5,-4.09,;18.94,-2.99,;20.29,-6.65,;21.05,-7.99,;20.26,-9.32,;18.72,-9.3,;17.94,-10.63,;18.7,-11.97,;20.25,-11.98,;21.03,-10.65,;24.49,-4.55,;25.81,-5.34,;27.16,-4.59,;27.18,-3.05,;25.84,-2.26,;24.51,-3.02,)| Show InChI InChI=1S/C20H23N3O/c24-20(17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417103 (CHEMBL1256001) Show SMILES O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-8.12,-33.73,;-9.46,-34.48,;-10.93,-33.84,;-12.29,-34.45,;-12.57,-35.84,;-11.19,-35.21,;-11.45,-33.31,;-11,-32.2,;-9.66,-35.86,;-8.9,-37.2,;-9.68,-38.53,;-11.22,-38.51,;-12.01,-39.83,;-11.25,-41.17,;-9.69,-41.18,;-8.92,-39.86,)| Show InChI InChI=1S/C13H18N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-13,16H,3-4,6-8H2/t12-,13+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	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 UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	331	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417097 (CHEMBL1256002) Show SMILES N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-1.74,-33.45,;-3.08,-34.2,;-4.55,-33.56,;-5.9,-34.17,;-6.18,-35.56,;-4.81,-34.93,;-5.07,-33.03,;-4.62,-31.92,;-3.28,-35.58,;-2.52,-36.92,;-3.3,-38.25,;-4.84,-38.23,;-5.62,-39.56,;-4.86,-40.9,;-3.31,-40.91,;-2.54,-39.58,)| Show InChI InChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12-,13+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	468	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417093 (CHEMBL1258358) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Oc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(9.02,-7.03,;9.04,-5.49,;7.71,-4.7,;6.37,-5.45,;4.9,-4.81,;3.55,-5.42,;3.27,-6.81,;4.64,-6.18,;4.38,-4.27,;4.83,-3.16,;6.17,-6.83,;6.93,-8.17,;6.15,-9.5,;4.61,-9.48,;3.83,-10.81,;4.59,-12.15,;6.14,-12.16,;6.91,-10.83,;10.38,-4.73,;11.71,-5.52,;11.68,-7.06,;13,-7.85,;14.35,-7.1,;14.37,-5.55,;13.04,-4.77,)| Show InChI InChI=1S/C20H23N3O2/c24-20(25-17-6-2-1-3-7-17)22-19-16-8-11-23(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H,22,24)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417091 (CHEMBL1258127) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)Nc1ccccc1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(6.76,4.22,;6.78,5.76,;5.45,6.55,;4.11,5.8,;2.64,6.44,;1.29,5.83,;1.01,4.44,;2.38,5.07,;2.13,6.97,;2.57,8.09,;3.92,4.42,;4.68,3.08,;3.89,1.75,;2.35,1.77,;1.57,.44,;2.33,-.9,;3.88,-.91,;4.66,.42,;8.12,6.52,;9.45,5.73,;9.42,4.19,;10.75,3.4,;12.09,4.15,;12.11,5.7,;10.78,6.48,)| Show InChI InChI=1S/C20H24N4O/c25-20(22-17-6-2-1-3-7-17)23-19-16-8-11-24(12-9-16)18(19)13-15-5-4-10-21-14-15/h1-7,10,14,16,18-19H,8-9,11-13H2,(H2,22,23,25)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD 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
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417092 (CHEMBL1258241) Show SMILES Brc1ccc(NC(=O)N[C@@H]2C3CCN(CC3)[C@H]2Cc2cccnc2)cc1 |r,wU:9.8,wD:16.18,TLB:17:16:12.11:14.15,THB:8:9:12.11:14.15,(.24,-7.48,;-1.08,-6.7,;-2.43,-7.45,;-3.75,-6.66,;-3.73,-5.12,;-5.05,-4.33,;-6.39,-5.08,;-6.41,-6.62,;-7.72,-4.3,;-9.06,-5.05,;-10.53,-4.41,;-11.89,-5.02,;-12.17,-6.41,;-10.79,-5.78,;-11.05,-3.87,;-10.6,-2.77,;-9.26,-6.43,;-8.5,-7.77,;-9.28,-9.1,;-10.82,-9.08,;-11.61,-10.4,;-10.84,-11.74,;-9.29,-11.75,;-8.52,-10.43,;-2.39,-4.37,;-1.07,-5.15,)| Show InChI InChI=1S/C20H23BrN4O/c21-16-3-5-17(6-4-16)23-20(26)24-19-15-7-10-25(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H2,23,24,26)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	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 KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417094 (CHEMBL1255907) Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)| Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50161764 ((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	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.09E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417097 (CHEMBL1256002) Show SMILES N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-1.74,-33.45,;-3.08,-34.2,;-4.55,-33.56,;-5.9,-34.17,;-6.18,-35.56,;-4.81,-34.93,;-5.07,-33.03,;-4.62,-31.92,;-3.28,-35.58,;-2.52,-36.92,;-3.3,-38.25,;-4.84,-38.23,;-5.62,-39.56,;-4.86,-40.9,;-3.31,-40.91,;-2.54,-39.58,)| Show InChI InChI=1S/C13H19N3/c14-13-11-3-6-16(7-4-11)12(13)8-10-2-1-5-15-9-10/h1-2,5,9,11-13H,3-4,6-8,14H2/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.02E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50119572 (CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...) Show SMILES CN(C)CCc1cccnc1 Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50119572 (CHEMBL142049 | Dimethyl-(2-pyridin-3-yl-ethyl)-ami...) Show SMILES CN(C)CCc1cccnc1 Show InChI InChI=1S/C9H14N2/c1-11(2)7-5-9-4-3-6-10-8-9/h3-4,6,8H,5,7H2,1-2H3	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417103 (CHEMBL1256001) Show SMILES O[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:1.0,wD:8.10,TLB:9:8:4.3:6.7,THB:0:1:4.3:6.7,(-8.12,-33.73,;-9.46,-34.48,;-10.93,-33.84,;-12.29,-34.45,;-12.57,-35.84,;-11.19,-35.21,;-11.45,-33.31,;-11,-32.2,;-9.66,-35.86,;-8.9,-37.2,;-9.68,-38.53,;-11.22,-38.51,;-12.01,-39.83,;-11.25,-41.17,;-9.69,-41.18,;-8.92,-39.86,)| Show InChI InChI=1S/C13H18N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-13,16H,3-4,6-8H2/t12-,13+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417096 (CHEMBL1256000) Show SMILES Brc1ccc(NC(=O)N[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(27.89,-28.62,;26.56,-27.83,;25.22,-28.59,;23.89,-27.8,;23.92,-26.26,;22.59,-25.47,;21.25,-26.22,;21.23,-27.76,;19.92,-25.43,;18.58,-26.19,;18.38,-27.57,;16.85,-26.91,;15.48,-27.55,;15.76,-26.15,;17.11,-25.55,;17.04,-23.9,;16.59,-25.01,;25.25,-25.5,;26.58,-26.28,)| Show InChI InChI=1S/C14H18BrN3O/c15-11-1-3-12(4-2-11)16-14(19)17-13-9-18-7-5-10(13)6-8-18/h1-4,10,13H,5-9H2,(H2,16,17,19)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.13E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417095 (CHEMBL1255909) Show SMILES O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)| Show InChI InChI=1S/C14H19N3O/c18-14(15-12-4-2-1-3-5-12)16-13-10-17-8-6-11(13)7-9-17/h1-5,11,13H,6-10H2,(H2,15,16,18)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417098 (CHEMBL1256003) Show SMILES N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)| Show InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417099 (CHEMBL1255823) Show SMILES Brc1ccc(NC(=O)OCCCc2cccnc2)cc1 Show InChI InChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)18-15(19)20-10-2-4-12-3-1-9-17-11-12/h1,3,5-9,11H,2,4,10H2,(H,18,19)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.92E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417094 (CHEMBL1255907) Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)| Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417104 (CHEMBL1256004) Show SMILES NCCc1cccnc1 Show InChI InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	8.51E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417099 (CHEMBL1255823) Show SMILES Brc1ccc(NC(=O)OCCCc2cccnc2)cc1 Show InChI InChI=1S/C15H15BrN2O2/c16-13-5-7-14(8-6-13)18-15(19)20-10-2-4-12-3-1-9-17-11-12/h1,3,5-9,11H,2,4,10H2,(H,18,19)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-7 (Homo sapiens (Human))	BDBM50417101 (CHEMBL1255822) Show SMILES O=C(Nc1ccccc1)OCCCc1cccnc1 Show InChI InChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.45E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]-MLA from human alpha7 nAChR expressed in human SH-SY5Y cells				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417104 (CHEMBL1256004) Show SMILES NCCc1cccnc1 Show InChI InChI=1S/C7H10N2/c8-4-3-7-2-1-5-9-6-7/h1-2,5-6H,3-4,8H2	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	Article PubMed	9.33E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417098 (CHEMBL1256003) Show SMILES N[C@H]1CN2CCC1CC2 |r,wU:1.0,THB:0:1:4.5:8.7,(6.18,-36.2,;4.79,-36.98,;4.59,-38.42,;2.99,-37.74,;1.57,-38.4,;1.86,-36.95,;3.26,-36.32,;3.19,-34.61,;2.73,-35.76,)| Show InChI InChI=1S/C7H14N2/c8-7-5-9-3-1-6(7)2-4-9/h6-7H,1-5,8H2/t7-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem	Article PubMed	1.10E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417101 (CHEMBL1255822) Show SMILES O=C(Nc1ccccc1)OCCCc1cccnc1 Show InChI InChI=1S/C15H16N2O2/c18-15(17-14-8-2-1-3-9-14)19-11-5-7-13-6-4-10-16-12-13/h1-4,6,8-10,12H,5,7,11H2,(H,17,18)	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.82E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Displacement of [3H]epibatidine from Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50393248 (CHEMBL1258005) Show SMILES Brc1ccc(cc1)C(=O)N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1 |r,wU:10.10,wD:17.20,TLB:18:17:13.12:15.16,THB:9:10:13.12:15.16,(-.69,-12.68,;-2.04,-13.43,;-2.06,-14.97,;-3.4,-15.72,;-4.72,-14.94,;-4.71,-13.4,;-3.37,-12.64,;-6.06,-15.69,;-6.08,-17.23,;-7.38,-14.9,;-8.73,-15.65,;-10.2,-15.01,;-11.56,-15.62,;-11.84,-17.01,;-10.46,-16.38,;-10.71,-14.48,;-10.27,-13.37,;-8.92,-17.03,;-8.16,-18.37,;-8.94,-19.7,;-10.48,-19.68,;-11.28,-21.01,;-10.51,-22.35,;-8.96,-22.36,;-8.18,-21.03,)| Show InChI InChI=1S/C20H22BrN3O/c21-17-5-3-16(4-6-17)20(25)23-19-15-7-10-24(11-8-15)18(19)12-14-2-1-9-22-13-14/h1-6,9,13,15,18-19H,7-8,10-12H2,(H,23,25)/t18-,19+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	93	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50393247 (CHEMBL1258006) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cc2ccccc2o1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(5.71,-17.16,;5.73,-15.62,;4.4,-14.83,;3.06,-15.59,;1.59,-14.95,;.24,-15.55,;-.04,-16.95,;1.33,-16.32,;1.07,-14.41,;1.52,-13.3,;2.87,-16.97,;3.63,-18.31,;2.84,-19.64,;1.3,-19.62,;.52,-20.94,;1.28,-22.29,;2.83,-22.3,;3.61,-20.97,;7.07,-14.87,;7.24,-13.35,;8.76,-13.04,;9.54,-11.72,;11.07,-11.74,;11.83,-13.08,;11.04,-14.41,;9.51,-14.39,;8.47,-15.52,)| Show InChI InChI=1S/C22H23N3O2/c26-22(20-13-17-5-1-2-6-19(17)27-20)24-21-16-7-10-25(11-8-16)18(21)12-15-4-3-9-23-14-15/h1-6,9,13-14,16,18,21H,7-8,10-12H2,(H,24,26)/t18-,21+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417100 (CHEMBL1258125) Show SMILES O=C(N[C@@H]1C2CCN(CC2)[C@H]1Cc1cccnc1)c1cccs1 |r,wU:3.2,wD:10.12,TLB:11:10:6.5:8.9,THB:2:3:6.5:8.9,(18.11,-17.12,;18.13,-15.58,;16.81,-14.79,;15.46,-15.54,;14,-14.9,;12.64,-15.51,;12.37,-16.9,;13.74,-16.27,;13.48,-14.37,;13.93,-13.26,;15.27,-16.92,;16.03,-18.27,;15.25,-19.59,;13.71,-19.57,;12.93,-20.9,;13.69,-22.24,;15.24,-22.25,;16.01,-20.92,;19.48,-14.83,;19.65,-13.3,;21.16,-13,;21.91,-14.34,;20.87,-15.48,)| Show InChI InChI=1S/C18H21N3OS/c22-18(16-4-2-10-23-16)20-17-14-5-8-21(9-6-14)15(17)11-13-3-1-7-19-12-13/h1-4,7,10,12,14-15,17H,5-6,8-9,11H2,(H,20,22)/t15-,17+/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417094 (CHEMBL1255907) Show SMILES O=C(Nc1ccccc1)O[C@H]1CN2CCC1CC2 |r,wU:10.10,THB:9:10:13.14:17.16,(28.34,-18.07,;28.36,-16.53,;29.7,-15.78,;31.03,-16.57,;31,-18.11,;32.33,-18.9,;33.67,-18.14,;33.69,-16.6,;32.37,-15.81,;27.03,-15.74,;25.69,-16.5,;25.5,-17.88,;23.96,-17.23,;22.59,-17.86,;22.87,-16.46,;24.22,-15.86,;24.15,-14.21,;23.7,-15.32,)| Show InChI InChI=1S/C14H18N2O2/c17-14(15-12-4-2-1-3-5-12)18-13-10-16-8-6-11(13)7-9-16/h1-5,11,13H,6-10H2,(H,15,17)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.95E+4	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417102 (CHEMBL1255908) Show SMILES Brc1ccc(NC(=O)O[C@H]2CN3CCC2CC3)cc1 |r,wU:9.8,THB:8:9:12.13:16.15,(-.86,-29.32,;-2.18,-28.53,;-3.53,-29.28,;-4.85,-28.5,;-4.83,-26.95,;-6.15,-26.17,;-7.5,-26.92,;-7.52,-28.46,;-8.82,-26.13,;-10.17,-26.88,;-10.36,-28.26,;-11.91,-27.61,;-13.28,-28.24,;-13,-26.85,;-11.64,-26.24,;-11.71,-24.6,;-12.15,-25.71,;-3.49,-26.2,;-2.17,-26.98,)| Show InChI InChI=1S/C14H17BrN2O2/c15-11-1-3-12(4-2-11)16-14(18)19-13-9-17-7-5-10(13)6-8-17/h1-4,10,13H,5-9H2,(H,16,18)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	4.47E+3	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair
Acetylcholine-binding protein (Lymnaea stagnalis)	BDBM50417095 (CHEMBL1255909) Show SMILES O=C(N[C@H]1CN2CCC1CC2)Nc1ccccc1 |r,wU:3.2,THB:2:3:6.7:10.9,(7.58,-28.23,;7.6,-26.69,;6.27,-25.9,;4.93,-26.65,;4.74,-28.04,;3.2,-27.38,;1.83,-28.02,;2.11,-26.62,;3.46,-26.01,;3.39,-24.37,;2.94,-25.48,;8.94,-25.94,;10.27,-26.73,;10.24,-28.27,;11.57,-29.06,;12.92,-28.3,;12.93,-26.75,;11.61,-25.97,)| Show InChI InChI=1S/C14H19N3O/c18-14(15-12-4-2-1-3-5-12)16-13-10-17-8-6-11(13)7-9-17/h1-5,11,13H,6-10H2,(H2,15,16,18)/t13-/m0/s1	PDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.86E+4	n/a	n/a	n/a	n/a	n/a
VU University Amsterdam Curated by ChEMBL					Assay Description Binding affinity to Lymnaea stagnalis His6-AChBP expressed in Bac-to-Bac baculovirus expression system by surface plasmon resonance biosensor assay				J Med Chem 53: 7192-201 (2010) Article DOI: 10.1021/jm100834y BindingDB Entry DOI: 10.7270/Q21J9C1V
					More data for this Ligand-Target Pair

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